WorldWideScience

Sample records for oxidant model version

  1. Model-based version management system framework

    International Nuclear Information System (INIS)

    Mehmood, W.

    2016-01-01

    In this paper we present a model-based version management system. Version Management System (VMS) a branch of software configuration management (SCM) aims to provide a controlling mechanism for evolution of software artifacts created during software development process. Controlling the evolution requires many activities to perform, such as, construction and creation of versions, identification of differences between versions, conflict detection and merging. Traditional VMS systems are file-based and consider software systems as a set of text files. File based VMS systems are not adequate for performing software configuration management activities such as, version control on software artifacts produced in earlier phases of the software life cycle. New challenges of model differencing, merge, and evolution control arise while using models as central artifact. The goal of this work is to present a generic framework model-based VMS which can be used to overcome the problem of tradition file-based VMS systems and provide model versioning services. (author)

  2. Comparative assessment of PSI air oxidation model implementation in SCDAPSim3.5, MELCOR 1.8.6 and MELCOR 2.1

    International Nuclear Information System (INIS)

    Fernandez-Moguel, Leticia

    2015-01-01

    Highlights: • The PSI air oxidation model has been successfully implemented in MELCOR. • The model treats oxygen as an active species and nitrogen as a catalyst. • The implementation has been assessed against the previous post-test analyses for QUENCH-16. • The pre-oxidation and air phase were consistent when similar modelling options were used. • All code versions were in fair agreement with the experimental data. - Abstract: The PSI air oxidation model has been successfully implemented in the lump parameter code MELCOR. The PSI air oxidation model treats oxygen as an active species and nitrogen as a catalyst that accelerates the oxidation kinetics. The essential feature of the model is the transition from parabolic to linear kinetics. The implementation has been assessed against the previous post-test analyses for the air ingress experiment QUENCH-16 performed with a local version of RELAP5/SCDAPSim3.5. This version contains the PSI air oxidation model. The pre-oxidation and air phase were consistent when similar modelling options were used and all code versions were in fair agreement with the experimental data, showing consistency in the implementation of the model. The PSI air oxidation model will be used in the future for analysis of spent fuel pool uncovery sequences where steam/air mixture is the prototypical environment

  3. Main modelling features of the ASTEC V2.1 major version

    International Nuclear Information System (INIS)

    Chatelard, P.; Belon, S.; Bosland, L.; Carénini, L.; Coindreau, O.; Cousin, F.; Marchetto, C.; Nowack, H.; Piar, L.; Chailan, L.

    2016-01-01

    Highlights: • Recent modelling improvements of the ASTEC European severe accident code are outlined. • Key new physical models now available in the ASTEC V2.1 major version are described. • ASTEC progress towards a multi-design reactor code is illustrated for BWR and PHWR. • ASTEC strong link with the on-going EC CESAM FP7 project is emphasized. • Main remaining modelling issues (on which IRSN efforts are now directing) are given. - Abstract: A new major version of the European severe accident integral code ASTEC, developed by IRSN with some GRS support, was delivered in November 2015 to the ASTEC worldwide community. Main modelling features of this V2.1 version are summarised in this paper. In particular, the in-vessel coupling technique between the reactor coolant system thermal-hydraulics module and the core degradation module has been strongly re-engineered to remove some well-known weaknesses of the former V2.0 series. The V2.1 version also includes new core degradation models specifically addressing BWR and PHWR reactor types, as well as several other physical modelling improvements, notably on reflooding of severely damaged cores, Zircaloy oxidation under air atmosphere, corium coolability during corium concrete interaction and source term evaluation. Moreover, this V2.1 version constitutes the back-bone of the CESAM FP7 project, which final objective is to further improve ASTEC for use in Severe Accident Management analysis of the Gen.II–III nuclear power plants presently under operation or foreseen in near future in Europe. As part of this European project, IRSN efforts to continuously improve both code numerical robustness and computing performances at plant scale as well as users’ tools are being intensified. Besides, ASTEC will continue capitalising the whole knowledge on severe accidents phenomenology by progressively keeping physical models at the state of the art through a regular feed-back from the interpretation of the current and

  4. Integrated Farm System Model Version 4.3 and Dairy Gas Emissions Model Version 3.3 Software development and distribution

    Science.gov (United States)

    Modeling routines of the Integrated Farm System Model (IFSM version 4.2) and Dairy Gas Emission Model (DairyGEM version 3.2), two whole-farm simulation models developed and maintained by USDA-ARS, were revised with new components for: (1) simulation of ammonia (NH3) and greenhouse gas emissions gene...

  5. Version control of pathway models using XML patches.

    Science.gov (United States)

    Saffrey, Peter; Orton, Richard

    2009-03-17

    Computational modelling has become an important tool in understanding biological systems such as signalling pathways. With an increase in size complexity of models comes a need for techniques to manage model versions and their relationship to one another. Model version control for pathway models shares some of the features of software version control but has a number of differences that warrant a specific solution. We present a model version control method, along with a prototype implementation, based on XML patches. We show its application to the EGF/RAS/RAF pathway. Our method allows quick and convenient storage of a wide range of model variations and enables a thorough explanation of these variations. Trying to produce these results without such methods results in slow and cumbersome development that is prone to frustration and human error.

  6. European scale modeling of sulfur, oxidized nitrogen and photochemical oxidants. Model development and evaluation for the 1994 growing season

    Energy Technology Data Exchange (ETDEWEB)

    Langner, J.; Bergstroem, R. [Swedish Meteorological and Hydrological Inst., Norrkoeping (Sweden); Pleijel, K. [Swedish Environmental Research Inst., Goeteborg (Sweden)

    1998-09-01

    A chemical mechanism, including the relevant reactions leading to the production of ozone and other photochemical oxidants, has been implemented in the MATCH regional tracer transport/chemistry/deposition model. The aim has been to develop a model platform that can be used as a basis for a range of regional scale studies involving atmospheric chemistry, including assessment of the importance of different sources of pollutants to the levels of photochemical oxidants and air pollutant forecasting. Meteorological input data to the model were taken from archived output from the operational version of HIRLAM at SMHI. Evaluation of model calculations over Europe for a six month period in 1994 for a range of chemical components show good results considering known sources of error and uncertainties in input data and model formulation. With limited further work the system is sufficiently good to be applied for scenario studies and for regional scale air pollutant forecasts 42 refs, 24 figs, 17 tabs

  7. Versions of the Waste Reduction Model (WARM)

    Science.gov (United States)

    This page provides a brief chronology of changes made to EPA’s Waste Reduction Model (WARM), organized by WARM version number. The page includes brief summaries of changes and updates since the previous version.

  8. BehavePlus fire modeling system, version 5.0: Variables

    Science.gov (United States)

    Patricia L. Andrews

    2009-01-01

    This publication has been revised to reflect updates to version 4.0 of the BehavePlus software. It was originally published as the BehavePlus fire modeling system, version 4.0: Variables in July, 2008.The BehavePlus fire modeling system is a computer program based on mathematical models that describe wildland fire behavior and effects and the...

  9. Solar Advisor Model User Guide for Version 2.0

    Energy Technology Data Exchange (ETDEWEB)

    Gilman, P.; Blair, N.; Mehos, M.; Christensen, C.; Janzou, S.; Cameron, C.

    2008-08-01

    The Solar Advisor Model (SAM) provides a consistent framework for analyzing and comparing power system costs and performance across the range of solar technologies and markets, from photovoltaic systems for residential and commercial markets to concentrating solar power and large photovoltaic systems for utility markets. This manual describes Version 2.0 of the software, which can model photovoltaic and concentrating solar power technologies for electric applications for several markets. The current version of the Solar Advisor Model does not model solar heating and lighting technologies.

  10. Model Adequacy Analysis of Matching Record Versions in Nosql Databases

    Directory of Open Access Journals (Sweden)

    E. V. Tsviashchenko

    2015-01-01

    Full Text Available The article investigates a model of matching record versions. The goal of this work is to analyse the model adequacy. This model allows estimating a user’s processing time distribution of the record versions and a distribution of the record versions count. The second option of the model was used, according to which, for a client the time to process record versions depends explicitly on the number of updates, performed by the other users between the sequential updates performed by a current client. In order to prove the model adequacy the real experiment was conducted in the cloud cluster. The cluster contains 10 virtual nodes, provided by DigitalOcean Company. The Ubuntu Server 14.04 was used as an operating system (OS. The NoSQL system Riak was chosen for experiments. In the Riak 2.0 version and later provide “dotted vector versions” (DVV option, which is an extension of the classic vector clock. Their use guarantees, that the versions count, simultaneously stored in DB, will not exceed the count of clients, operating in parallel with a record. This is very important while conducting experiments. For developing the application the java library, provided by Riak, was used. The processes run directly on the nodes. In experiment two records were used. They are: Z – the record, versions of which are handled by clients; RZ – service record, which contains record update counters. The application algorithm can be briefly described as follows: every client reads versions of the record Z, processes its updates using the RZ record counters, and saves treated record in database while old versions are deleted form DB. Then, a client rereads the RZ record and increments counters of updates for the other clients. After that, a client rereads the Z record, saves necessary statistics, and deliberates the results of processing. In the case of emerging conflict because of simultaneous updates of the RZ record, the client obtains all versions of that

  11. The Hamburg Oceanic Carbon Cycle Circulation Model. Version 1. Version 'HAMOCC2s' for long time integrations

    Energy Technology Data Exchange (ETDEWEB)

    Heinze, C.; Maier-Reimer, E. [Max-Planck-Institut fuer Meteorologie, Hamburg (Germany)

    1999-11-01

    The Hamburg Ocean Carbon Cycle Circulation Model (HAMOCC, configuration HAMOCC2s) predicts the atmospheric carbon dioxide partial pressure (as induced by oceanic processes), production rates of biogenic particulate matter, and geochemical tracer distributions in the water column as well as the bioturbated sediment. Besides the carbon cycle this model version includes also the marine silicon cycle (silicic acid in the water column and the sediment pore waters, biological opal production, opal flux through the water column and opal sediment pore water interaction). The model is based on the grid and geometry of the LSG ocean general circulation model (see the corresponding manual, LSG=Large Scale Geostrophic) and uses a velocity field provided by the LSG-model in 'frozen' state. In contrast to the earlier version of the model (see Report No. 5), the present version includes a multi-layer sediment model of the bioturbated sediment zone, allowing for variable tracer inventories within the complete model system. (orig.)

  12. Empirical soot formation and oxidation model

    Directory of Open Access Journals (Sweden)

    Boussouara Karima

    2009-01-01

    Full Text Available Modelling internal combustion engines can be made following different approaches, depending on the type of problem to be simulated. A diesel combustion model has been developed and implemented in a full cycle simulation of a combustion, model accounts for transient fuel spray evolution, fuel-air mixing, ignition, combustion, and soot pollutant formation. The models of turbulent combustion of diffusion flame, apply to diffusion flames, which one meets in industry, typically in the diesel engines particulate emission represents one of the most deleterious pollutants generated during diesel combustion. Stringent standards on particulate emission along with specific emphasis on size of emitted particulates have resulted in increased interest in fundamental understanding of the mechanisms of soot particulate formation and oxidation in internal combustion engines. A phenomenological numerical model which can predict the particle size distribution of the soot emitted will be very useful in explaining the above observed results and will also be of use to develop better particulate control techniques. A diesel engine chosen for simulation is a version of the Caterpillar 3406. We are interested in employing a standard finite-volume computational fluid dynamics code, KIVA3V-RELEASE2.

  13. NETPATH-WIN: an interactive user version of the mass-balance model, NETPATH

    Science.gov (United States)

    El-Kadi, A. I.; Plummer, Niel; Aggarwal, P.

    2011-01-01

    NETPATH-WIN is an interactive user version of NETPATH, an inverse geochemical modeling code used to find mass-balance reaction models that are consistent with the observed chemical and isotopic composition of waters from aquatic systems. NETPATH-WIN was constructed to migrate NETPATH applications into the Microsoft WINDOWS® environment. The new version facilitates model utilization by eliminating difficulties in data preparation and results analysis of the DOS version of NETPATH, while preserving all of the capabilities of the original version. Through example applications, the note describes some of the features of NETPATH-WIN as applied to adjustment of radiocarbon data for geochemical reactions in groundwater systems.

  14. The Unified Extensional Versioning Model

    DEFF Research Database (Denmark)

    Asklund, U.; Bendix, Lars Gotfred; Christensen, H. B.

    1999-01-01

    Versioning of components in a system is a well-researched field where various adequate techniques have already been established. In this paper, we look at how versioning can be extended to cover also the structural aspects of a system. There exist two basic techniques for versioning - intentional...

  15. Computerized transportation model for the NRC Physical Protection Project. Versions I and II

    International Nuclear Information System (INIS)

    Anderson, G.M.

    1978-01-01

    Details on two versions of a computerized model for the transportation system of the NRC Physical Protection Project are presented. The Version I model permits scheduling of all types of transport units associated with a truck fleet, including truck trailers, truck tractors, escort vehicles and crews. A fixed-fleet itinerary construction process is used in which iterations on fleet size are required until the service requirements are satisfied. The Version II model adds an aircraft mode capability and provides for a more efficient non-fixed-fleet itinerary generation process. Test results using both versions are included

  16. Forsmark - site descriptive model version 0

    International Nuclear Information System (INIS)

    2002-10-01

    During 2002, the Swedish Nuclear Fuel and Waste Management Company (SKB) is starting investigations at two potential sites for a deep repository in the Precambrian basement of the Fennoscandian Shield. The present report concerns one of those sites, Forsmark, which lies in the municipality of Oesthammar, on the east coast of Sweden, about 150 kilometres north of Stockholm. The site description should present all collected data and interpreted parameters of importance for the overall scientific understanding of the site, for the technical design and environmental impact assessment of the deep repository, and for the assessment of long-term safety. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. The site descriptive models are devised and stepwise updated as the site investigations proceed. The point of departure for this process is the regional site descriptive model, version 0, which is the subject of the present report. Version 0 is developed out of the information available at the start of the site investigation. This information, with the exception of data from tunnels and drill holes at the sites of the Forsmark nuclear reactors and the underground low-middle active radioactive waste storage facility, SFR, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. For this reason, the Forsmark site descriptive model, version 0, as detailed in the present report, has been developed at a regional scale. It covers a rectangular area, 15 km in a southwest-northeast and 11 km in a northwest-southeast direction, around the

  17. Modeling report of DYMOND code (DUPIC version)

    International Nuclear Information System (INIS)

    Park, Joo Hwan; Yacout, Abdellatif M.

    2003-04-01

    The DYMOND code employs the ITHINK dynamic modeling platform to assess the 100-year dynamic evolution scenarios for postulated global nuclear energy parks. Firstly, DYMOND code has been developed by ANL(Argonne National Laboratory) to perform the fuel cycle analysis of LWR once-through and LWR-FBR mixed plant. Since the extensive application of DYMOND code has been requested, the first version of DYMOND has been modified to adapt the DUPIC, MSR and RTF fuel cycle. DYMOND code is composed of three parts; the source language platform, input supply and output. But those platforms are not clearly distinguished. This report described all the equations which were modeled in the modified DYMOND code (which is called as DYMOND-DUPIC version). It divided into five parts;Part A deals model in reactor history which is included amount of the requested fuels and spent fuels. Part B aims to describe model of fuel cycle about fuel flow from the beginning to the end of fuel cycle. Part C is for model in re-processing which is included recovery of burned uranium, plutonium, minor actinide and fission product as well as the amount of spent fuels in storage and disposal. Part D is for model in other fuel cycle which is considered the thorium fuel cycle for MSR and RTF reactor. Part E is for model in economics. This part gives all the information of cost such as uranium mining cost, reactor operating cost, fuel cost etc

  18. Modeling report of DYMOND code (DUPIC version)

    Energy Technology Data Exchange (ETDEWEB)

    Park, Joo Hwan [KAERI, Taejon (Korea, Republic of); Yacout, Abdellatif M [Argonne National Laboratory, Ilinois (United States)

    2003-04-01

    The DYMOND code employs the ITHINK dynamic modeling platform to assess the 100-year dynamic evolution scenarios for postulated global nuclear energy parks. Firstly, DYMOND code has been developed by ANL(Argonne National Laboratory) to perform the fuel cycle analysis of LWR once-through and LWR-FBR mixed plant. Since the extensive application of DYMOND code has been requested, the first version of DYMOND has been modified to adapt the DUPIC, MSR and RTF fuel cycle. DYMOND code is composed of three parts; the source language platform, input supply and output. But those platforms are not clearly distinguished. This report described all the equations which were modeled in the modified DYMOND code (which is called as DYMOND-DUPIC version). It divided into five parts;Part A deals model in reactor history which is included amount of the requested fuels and spent fuels. Part B aims to describe model of fuel cycle about fuel flow from the beginning to the end of fuel cycle. Part C is for model in re-processing which is included recovery of burned uranium, plutonium, minor actinide and fission product as well as the amount of spent fuels in storage and disposal. Part D is for model in other fuel cycle which is considered the thorium fuel cycle for MSR and RTF reactor. Part E is for model in economics. This part gives all the information of cost such as uranium mining cost, reactor operating cost, fuel cost etc.

  19. Fiscal impacts model documentation. Version 1.0

    International Nuclear Information System (INIS)

    Beck, S.L.; Scott, M.J.

    1986-05-01

    The Fiscal Impacts (FI) Model, Version 1.0 was developed under Pacific Northwest Laboratory's Monitored Retrievable Storage (MRS) Program to aid in development of the MRS Reference Site Environmental Document (PNL 5476). It computes estimates of 182 fiscal items for state and local government jurisdictions, using input data from the US Census Bureau's 1981 Survey of Governments and local population forecasts. The model can be adapted for any county or group of counties in the United States

  20. The Lagrangian particle dispersion model FLEXPART-WRF VERSION 3.1

    Energy Technology Data Exchange (ETDEWEB)

    Brioude, J.; Arnold, D.; Stohl, A.; Cassiani, M.; Morton, Don; Seibert, P.; Angevine, W. M.; Evan, S.; Dingwell, A.; Fast, Jerome D.; Easter, Richard C.; Pisso, I.; Bukhart, J.; Wotawa, G.

    2013-11-01

    The Lagrangian particle dispersion model FLEXPART was originally designed for cal- culating long-range and mesoscale dispersion of air pollutants from point sources, such as after an accident in a nuclear power plant. In the meantime FLEXPART has evolved into a comprehensive tool for atmospheric transport modeling and analysis at different scales. This multiscale need from the modeler community has encouraged new developments in FLEXPART. In this document, we present a version that works with the Weather Research and Forecasting (WRF) mesoscale meteoro- logical model. Simple procedures on how to run FLEXPART-WRF are presented along with special options and features that differ from its predecessor versions. In addition, test case data, the source code and visualization tools are provided to the reader as supplementary material.

  1. Estimating Parameters for the PVsyst Version 6 Photovoltaic Module Performance Model

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Clifford [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

    2015-10-01

    We present an algorithm to determine parameters for the photovoltaic module perf ormance model encoded in the software package PVsyst(TM) version 6. Our method operates on current - voltage (I - V) measured over a range of irradiance and temperature conditions. We describe the method and illustrate its steps using data for a 36 cell crystalli ne silicon module. We qualitatively compare our method with one other technique for estimating parameters for the PVsyst(TM) version 6 model .

  2. IDC Use Case Model Survey Version 1.0.

    Energy Technology Data Exchange (ETDEWEB)

    Carr, Dorthe B.; Harris, James M.

    2014-12-01

    This document contains the brief descriptions for the actors and use cases contained in the IDC Use Case Model Survey. REVISIONS Version Date Author/Team Revision Description Authorized by V1.0 12/2014 IDC Re- engineering Project Team Initial delivery M. Harris

  3. H2A Production Model, Version 2 User Guide

    Energy Technology Data Exchange (ETDEWEB)

    Steward, D.; Ramsden, T.; Zuboy, J.

    2008-09-01

    The H2A Production Model analyzes the technical and economic aspects of central and forecourt hydrogen production technologies. Using a standard discounted cash flow rate of return methodology, it determines the minimum hydrogen selling price, including a specified after-tax internal rate of return from the production technology. Users have the option of accepting default technology input values--such as capital costs, operating costs, and capacity factor--from established H2A production technology cases or entering custom values. Users can also modify the model's financial inputs. This new version of the H2A Production Model features enhanced usability and functionality. Input fields are consolidated and simplified. New capabilities include performing sensitivity analyses and scaling analyses to various plant sizes. This User Guide helps users already familiar with the basic tenets of H2A hydrogen production cost analysis get started using the new version of the model. It introduces the basic elements of the model then describes the function and use of each of its worksheets.

  4. Thermal modelling. Preliminary site description. Forsmark area - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Sundberg, Jan; Back, Paer-Erik; Bengtsson, Anna; Laendell, Maerta [Geo Innova AB, Linkoeping (Sweden)

    2005-08-01

    This report presents the thermal site descriptive model for the Forsmark area, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at canister scale has been modelled for two different lithological domains (RFM029 and RFM012, both dominated by granite to granodiorite (101057)). A main modelling approach has been used to determine the mean value of the thermal conductivity. Two alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological model for the Forsmark area, version 1.2 together with rock type models constituted from measured and calculated (from mineral composition) thermal conductivities. Results indicate that the mean of thermal conductivity is expected to exhibit a small variation between the different domains, 3.46 W/(mxK) for RFM012 to 3.55 W/(mxK) for RFM029. The spatial distribution of the thermal conductivity does not follow a simple model. Lower and upper 95% confidence limits are based on the modelling results, but have been rounded of to only two significant figures. Consequently, the lower limit is 2.9 W/(mxK), while the upper is 3.8 W/(mxK). This is applicable to both the investigated domains. The temperature dependence is rather small with a decrease in thermal conductivity of 10.0% per 100 deg C increase in temperature for the dominating rock type. There are a number of important uncertainties associated with these results. One of the uncertainties considers the representative scale for the canister. Another important uncertainty is the methodological uncertainties associated with the upscaling of thermal conductivity from cm-scale to canister scale. In addition, the representativeness of rock samples is

  5. Forsmark - site descriptive model version 0

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-10-01

    During 2002, the Swedish Nuclear Fuel and Waste Management Company (SKB) is starting investigations at two potential sites for a deep repository in the Precambrian basement of the Fennoscandian Shield. The present report concerns one of those sites, Forsmark, which lies in the municipality of Oesthammar, on the east coast of Sweden, about 150 kilometres north of Stockholm. The site description should present all collected data and interpreted parameters of importance for the overall scientific understanding of the site, for the technical design and environmental impact assessment of the deep repository, and for the assessment of long-term safety. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. The site descriptive models are devised and stepwise updated as the site investigations proceed. The point of departure for this process is the regional site descriptive model, version 0, which is the subject of the present report. Version 0 is developed out of the information available at the start of the site investigation. This information, with the exception of data from tunnels and drill holes at the sites of the Forsmark nuclear reactors and the underground low-middle active radioactive waste storage facility, SFR, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. For this reason, the Forsmark site descriptive model, version 0, as detailed in the present report, has been developed at a regional scale. It covers a rectangular area, 15 km in a southwest-northeast and 11 km in a northwest-southeast direction, around the

  6. A conceptual model specification language (CMSL Version 2)

    NARCIS (Netherlands)

    Wieringa, Roelf J.

    1992-01-01

    Version 2 of a language (CMSL) to specify conceptual models is defined. CMSL consists of two parts, the value specification language VSL and the object spercification language OSL. There is a formal semantics and an inference system for CMSL but research on this still continues. A method for

  7. A hybrid version of swan for fast and efficient practical wave modelling

    NARCIS (Netherlands)

    M. Genseberger (Menno); J. Donners

    2016-01-01

    htmlabstractIn the Netherlands, for coastal and inland water applications, wave modelling with SWAN has become a main ingredient. However, computational times are relatively high. Therefore we investigated the parallel efficiency of the current MPI and OpenMP versions of SWAN. The MPI version is

  8. CENTURY: Modeling Ecosystem Responses to Climate Change, Version 4 (VEMAP 1995)

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: The CENTURY model, Version 4, is a general model of plant-soil nutrient cycling that is being used to simulate carbon and nutrient dynamics for different...

  9. CENTURY: Modeling Ecosystem Responses to Climate Change, Version 4 (VEMAP 1995)

    Data.gov (United States)

    National Aeronautics and Space Administration — The CENTURY model, Version 4, is a general model of plant-soil nutrient cycling that is being used to simulate carbon and nutrient dynamics for different types of...

  10. IDC Use Case Model Survey Version 1.1.

    Energy Technology Data Exchange (ETDEWEB)

    Harris, James Mark [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Carr, Dorthe B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-02-01

    This document contains the brief descriptions for the actors and use cases contained in the IDC Use Case Model. REVISIONS Version Date Author/Team Revision Description Authorized by V1.0 12/2014 SNL IDC Reengineering Project Team Initial delivery M. Harris V1.1 2/2015 SNL IDC Reengineering Project Team Iteration I2 Review Comments M. Harris

  11. Latest NASA Instrument Cost Model (NICM): Version VI

    Science.gov (United States)

    Mrozinski, Joe; Habib-Agahi, Hamid; Fox, George; Ball, Gary

    2014-01-01

    The NASA Instrument Cost Model, NICM, is a suite of tools which allow for probabilistic cost estimation of NASA's space-flight instruments at both the system and subsystem level. NICM also includes the ability to perform cost by analogy as well as joint confidence level (JCL) analysis. The latest version of NICM, Version VI, was released in Spring 2014. This paper will focus on the new features released with NICM VI, which include: 1) The NICM-E cost estimating relationship, which is applicable for instruments flying on Explorer-like class missions; 2) The new cluster analysis ability which, alongside the results of the parametric cost estimation for the user's instrument, also provides a visualization of the user's instrument's similarity to previously flown instruments; and 3) includes new cost estimating relationships for in-situ instruments.

  12. Global atmospheric model for mercury including oxidation by bromine atoms

    Directory of Open Access Journals (Sweden)

    C. D. Holmes

    2010-12-01

    Full Text Available Global models of atmospheric mercury generally assume that gas-phase OH and ozone are the main oxidants converting Hg0 to HgII and thus driving mercury deposition to ecosystems. However, thermodynamic considerations argue against the importance of these reactions. We demonstrate here the viability of atomic bromine (Br as an alternative Hg0 oxidant. We conduct a global 3-D simulation with the GEOS-Chem model assuming gas-phase Br to be the sole Hg0 oxidant (Hg + Br model and compare to the previous version of the model with OH and ozone as the sole oxidants (Hg + OH/O3 model. We specify global 3-D Br concentration fields based on our best understanding of tropospheric and stratospheric Br chemistry. In both the Hg + Br and Hg + OH/O3 models, we add an aqueous photochemical reduction of HgII in cloud to impose a tropospheric lifetime for mercury of 6.5 months against deposition, as needed to reconcile observed total gaseous mercury (TGM concentrations with current estimates of anthropogenic emissions. This added reduction would not be necessary in the Hg + Br model if we adjusted the Br oxidation kinetics downward within their range of uncertainty. We find that the Hg + Br and Hg + OH/O3 models are equally capable of reproducing the spatial distribution of TGM and its seasonal cycle at northern mid-latitudes. The Hg + Br model shows a steeper decline of TGM concentrations from the tropics to southern mid-latitudes. Only the Hg + Br model can reproduce the springtime depletion and summer rebound of TGM observed at polar sites; the snowpack component of GEOS-Chem suggests that 40% of HgII deposited to snow in the Arctic is transferred to the ocean and land reservoirs, amounting to a net deposition flux to the Arctic of 60 Mg a−1. Summertime events of depleted Hg0 at Antarctic sites due to subsidence are much better simulated by

  13. ANLECIS-1: Version of ANLECIS Program for Calculations with the Asymetric Rotational Model

    International Nuclear Information System (INIS)

    Lopez Mendez, R.; Garcia Moruarte, F.

    1986-01-01

    A new modified version of the ANLECIS Code is reported. This version allows to fit simultaneously the cross section of the direct process by the asymetric rotational model, and the cross section of the compound nucleus process by the Hauser-Feshbach formalism with the modern statistical corrections. The calculations based in this version show a dependence of the compound nucleus cross section with respect to the asymetric parameter γ. (author). 19 refs

  14. Hydrogeochemical evaluation of the Forsmark site, model version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    Laaksoharju, Marcus (ed.) [GeoPoint AB, Sollentuna (Sweden); Gimeno, Maria; Auque, Luis; Gomez, Javier [Univ. of Zaragoza (Spain). Dept. of Earth Sciences; Smellie, John [Conterra AB, Uppsala (Sweden); Tullborg, Eva-Lena [Terralogica AB, Graabo (Sweden); Gurban, Ioana [3D-Terra, Montreal (Canada)

    2004-01-01

    values below detection limit). The meteoric water is found at the surface and at shallow depths and the marine water is found closer to the coast and at depths affected by Baltic Sea water and probably old Litorina Sea water. The present state of knowledge of the reactive system is that the main water-rock interaction processes that affects the chemistry in the fresh meteoric waters are: 1) decomposition of organic matter, 2) calcite, plagioclase, biotite and sulphide dissolution, 3) Na-Ca ion exchange, and 4) phyllosilicate precipitation probably extremely slow in the present environment. For the brackish-saline groundwaters in contrast, the water/rock interaction processes seem to be less important although this has not been established because of a lack of data. At the moment multiple end-member mixing between marine water, glacial melt water and a deeper saline water seem to play a significant role. Based on presently available data, the groundwater sample at 115 m depth, i.e. not representative of repository depths, met the groundwater criterion established by SKB concerning the measured Eh, pH, TDS and Ca+Mg values. The redox system at this depth is controlled by the presence of iron oxides, hydroxides or by sulphide minerals. In this evaluation the post glacial groundwater scenario model has been updated, the salinity distribution, mixing processes and the major reactions altering the groundwaters have been modelled down to a depth of 200 m and a new Hydrogeochemical Site Descriptive Model version 1.1 has been produced. A 3D groundwater description of the site was not produced at this stage due to a lack of observations reflecting spatial variations. The possibilities to compare and integrate future hydrochemical modelling with hydrogeological modelling has improved due to major development in constructing hydrogeological site models. The salinity distribution in fractures and the rock matrix together with mixing proportions can be compared from two independent

  15. A one-dimensional material transfer model for HECTR version 1.5

    International Nuclear Information System (INIS)

    Geller, A.S.; Wong, C.C.

    1991-08-01

    HECTR (Hydrogen Event Containment Transient Response) is a lumped-parameter computer code developed for calculating the pressure-temperature response to combustion in a nuclear power plant containment building. The code uses a control-volume approach and subscale models to simulate the mass, momentum, and energy transfer occurring in the containment during a loss-of-collant-accident (LOCA). This document describes one-dimensional subscale models for mass and momentum transfer, and the modifications to the code required to implement them. Two problems were analyzed: the first corresponding to a standard problem studied with previous HECTR versions, the second to experiments. The performance of the revised code relative to previous HECTR version is discussed as is the ability of the code to model the experiments. 8 refs., 5 figs., 3 tabs

  16. Solid Waste Projection Model: Database (Version 1.3)

    International Nuclear Information System (INIS)

    Blackburn, C.L.

    1991-11-01

    The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC). The SWPM system provides a modeling and analysis environment that supports decisions in the process of evaluating various solid waste management alternatives. This document, one of a series describing the SWPM system, contains detailed information regarding the software and data structures utilized in developing the SWPM Version 1.3 Database. This document is intended for use by experienced database specialists and supports database maintenance, utility development, and database enhancement

  17. The MiniBIOS model (version 1A4) at the RIVM

    NARCIS (Netherlands)

    Uijt de Haag PAM; Laheij GMH

    1993-01-01

    This report is the user's guide of the MiniBIOS model, version 1A4. The model is operational at the Laboratory of Radiation Research of the RIVM. MiniBIOS is a simulation model for calculating the transport of radionuclides in the biosphere and the consequential radiation dose to humans. The

  18. External Validation of a Prediction Model for Successful External Cephalic Version

    NARCIS (Netherlands)

    de Hundt, Marcella; Vlemmix, Floortje; Kok, Marjolein; van der Steeg, Jan W.; Bais, Joke M.; Mol, Ben W.; van der Post, Joris A.

    2012-01-01

    We sought external validation of a prediction model for the probability of a successful external cephalic version (ECV). We evaluated the performance of the prediction model with calibration and discrimination. For clinical practice, we developed a score chart to calculate the probability of a

  19. Regularized integrable version of the one-dimensional quantum sine-Gordon model

    International Nuclear Information System (INIS)

    Japaridze, G.I.; Nersesyan, A.A.; Wiegmann, P.B.

    1983-01-01

    The authors derive a regularized exactly solvable version of the one-dimensional quantum sine-Gordon model proceeding from the exact solution of the U(1)-symmetric Thirring model. The ground state and the excitation spectrum are obtained in the region ν 2 < 8π. (Auth.)

  20. Simpevarp - site descriptive model version 0

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-11-01

    During 2002, SKB is starting detailed investigations at two potential sites for a deep repository in the Precambrian rocks of the Fennoscandian Shield. The present report concerns one of those sites, Simpevarp, which lies in the municipality of Oskarshamn, on the southeast coast of Sweden, about 250 kilometres south of Stockholm. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. SKB maintains two main databases at the present time, a site characterisation database called SICADA and a geographic information system called SKB GIS. The site descriptive model will be developed and presented with the aid of the SKB GIS capabilities, and with SKBs Rock Visualisation System (RVS), which is also linked to SICADA. The version 0 model forms an important framework for subsequent model versions, which are developed successively, as new information from the site investigations becomes available. Version 0 is developed out of the information available at the start of the site investigation. In the case of Simpevarp, this is essentially the information which was compiled for the Oskarshamn feasibility study, which led to the choice of that area as a favourable object for further study, together with information collected since its completion. This information, with the exception of the extensive data base from the nearby Aespoe Hard Rock Laboratory, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. Against this background, the present report consists of the following components: an overview of the present content of the databases

  1. ONKALO rock mechanics model (RMM). Version 2.3

    Energy Technology Data Exchange (ETDEWEB)

    Haekkinen, T.; Merjama, S.; Moenkkoenen, H. [WSP Finland, Helsinki (Finland)

    2014-07-15

    The Rock Mechanics Model of the ONKALO rock volume includes the most important rock mechanics features and parameters at the Olkiluoto site. The main objective of the model is to be a tool to predict rock properties, rock quality and hence provide an estimate for the rock stability of the potential repository at Olkiluoto. The model includes a database of rock mechanics raw data and a block model in which the rock mechanics parameters are estimated through block volumes based on spatial rock mechanics raw data. In this version 2.3, special emphasis was placed on refining the estimation of the block model. The model was divided into rock mechanics domains which were used as constraints during the block model estimation. During the modelling process, a display profile and toolbar were developed for the GEOVIA Surpac software to improve visualisation and access to the rock mechanics data for the Olkiluoto area. (orig.)

  2. Hydrogeochemical evaluation of the Simpevarp area, model version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    Laaksoharju, Marcus (ed.) [Geopoint AB, Stockholm (Sweden); Smellie, John [Conterra AB, Uppsala (Sweden); Gimeno, Maria; Auque, Luis; Gomez, Javier [Univ. of Zaragoza (Spain). Dept. of Earth Sciences; Tullborg, Eva-Lena [Terralogica AB, Graabo (Sweden); Gurban, Ioana [3D-Terra (Sweden)

    2004-02-01

    of the groundwaters are brackish (Cl < 5000 mg/L), except for three samples from KSH01A (at 253 m and 439 m depth) which are saline. Most surface waters are of Ca-HCO3 or Na-Ca-HCO3 type and naturally the sea water is of Na-Cl type. The deeper groundwaters are mainly of Na-Ca-Cl type. The modelling indicated three water types, one dominated by meteoric water, the other affected by marine water and the third affected by glacial water. The surface meteoric type shows seasonal variations. Closer to the coast the influence of marine water is detected. With depth the saline groundwater has been affected by glacial melt water and meteoric water. The present state of knowledge of the reactive system is that the main water-rock interaction processes that affect the chemistry in the fresh meteoric waters are: a) decomposition of organic matter, b) calcite, plagioclase, biotite and sulphide dissolution, c) Na-Ca ion exchange, and d) phyllosilicate precipitation probably extremely slow in the present low temperature environment. In contrast, for the brackish-saline groundwater the water/rock interaction processes seem to be less important although this has not been established because of a lack of data. At the moment, multiple end-member mixing between marine water, glacial meltwater and deeper saline water seem to play a significant role. Based on presently available data, the groundwater sample at 250 m depth, although not representative of repository depths, met the groundwater criterion established by SKB concerning the measured Eh, pH, TDS and Ca+Mg values. The redox system at this depth is controlled by the presence of iron oxides/iron hydroxides or sulphide minerals. In this evaluation the postglacial groundwater scenario model has been updated, the salinity distribution, mixing processes and the major reactions altering the groundwaters have been modelled down to a depth of 250 m and a new Hydrogeochemical Site Descriptive Model version 1.1 has been produced. A 3D

  3. PUMA Version 6 Multiplatform with Facilities to be coupled with other Simulation Models

    International Nuclear Information System (INIS)

    Grant, Carlos

    2013-01-01

    PUMA is a code for nuclear reactor calculation used in all nuclear installations in Argentina for simulation of fuel management, power cycles and transient events by means of spatial kinetic diffusion theory in 3D. For the versions used up to now the WINDOWS platform was used with very good results. Nowadays PUMA must work in different operative systems, LINUX among others, and must also have facilities to be coupled with other models. For this reason this new version was reprogrammed in ADA, language oriented to a safe programming and be found in any operative system. In former versions PUMA was executed through macro instructions written in LOGO. For this version it is possible to use also PYTHON, which makes also possible the access in execution time to internal data of PUMA. The use of PYTHON allows a easy way to couple PUMA with other codes. The possibilities of this new version of PUMA are shown by means of examples of input data and process control using PYTHON and LOGO. It is discussed the implementation of this methodology in other codes to be coupled with PUMA for versions run in WINDOWS and LINUX. (author)

  4. A framework for expanding aqueous chemistry in the Community Multiscale Air Quality (CMAQ) model version 5.1

    Science.gov (United States)

    Fahey, Kathleen M.; Carlton, Annmarie G.; Pye, Havala O. T.; Baek, Jaemeen; Hutzell, William T.; Stanier, Charles O.; Baker, Kirk R.; Wyat Appel, K.; Jaoui, Mohammed; Offenberg, John H.

    2017-04-01

    This paper describes the development and implementation of an extendable aqueous-phase chemistry option (AQCHEM - KMT(I)) for the Community Multiscale Air Quality (CMAQ) modeling system, version 5.1. Here, the Kinetic PreProcessor (KPP), version 2.2.3, is used to generate a Rosenbrock solver (Rodas3) to integrate the stiff system of ordinary differential equations (ODEs) that describe the mass transfer, chemical kinetics, and scavenging processes of CMAQ clouds. CMAQ's standard cloud chemistry module (AQCHEM) is structurally limited to the treatment of a simple chemical mechanism. This work advances our ability to test and implement more sophisticated aqueous chemical mechanisms in CMAQ and further investigate the impacts of microphysical parameters on cloud chemistry. Box model cloud chemistry simulations were performed to choose efficient solver and tolerance settings, evaluate the implementation of the KPP solver, and assess the direct impacts of alternative solver and kinetic mass transfer on predicted concentrations for a range of scenarios. Month-long CMAQ simulations for winter and summer periods over the US reveal the changes in model predictions due to these cloud module updates within the full chemical transport model. While monthly average CMAQ predictions are not drastically altered between AQCHEM and AQCHEM - KMT, hourly concentration differences can be significant. With added in-cloud secondary organic aerosol (SOA) formation from biogenic epoxides (AQCHEM - KMTI), normalized mean error and bias statistics are slightly improved for 2-methyltetrols and 2-methylglyceric acid at the Research Triangle Park measurement site in North Carolina during the Southern Oxidant and Aerosol Study (SOAS) period. The added in-cloud chemistry leads to a monthly average increase of 11-18 % in cloud SOA at the surface in the eastern United States for June 2013.

  5. A Simplified Model for Volatile-N Oxidation

    DEFF Research Database (Denmark)

    Hansen, Stine; Glarborg, Peter

    2010-01-01

    In solid fuel flames, NO is largely formed from the oxidation of volatile nitrogen compounds such as HCN and NH3. To be able to model the nitrogen chemistry in these flames, it is necessary to have an adequate model for volatile-N oxidation. Simple global models for oxidation of HCN and NH3 from...... the literature should be used cautiously, since their predictive capabilities are limited, particularly under reducing conditions. Models for HCN/NH3/NO conversion based on the systematic reduction of a detailed chemical kinetic model offer high accuracy but rely on input estimates of combustion intermediates...... for the sub-bituminous and bituminous coals, especially at lower temperatures. The semiempirical correlations for estimating radical concentrations may also be useful in combination with models for other trace species, such as sulfur oxides, organic species, etc....

  6. Break model comparison in different RELAP5 versions

    International Nuclear Information System (INIS)

    Parzer, I.

    2003-01-01

    The presented work focuses on the break flow prediction in RELAP5/MOD3 code, which is crucial to predict core uncovering and heatup during the Small Break Loss-of-Coolant Accidents (SB LOCA). The code prediction has been compared to the IAEA-SPE-4 experiments conducted on the PMK-2 integral test facilities in Hungary. The simulations have been performed with MOD3.2.2 Beta, MOD3.2.2 Gamma, MOD3.3 Beta and MOD3.3 frozen code version. In the present work we have compared the Ransom-Trapp and Henry-Fauske break model predictions. Additionally, both model predictions have been compared to itself, when used as the main modeling tool or when used as another code option, as so-called 'secret developmental options' on input card no.1. (author)

  7. Modelling nitrous oxide emissions from grazed grassland systems

    International Nuclear Information System (INIS)

    Wang Junye; Cardenas, Laura M.; Misselbrook, Tom H.; Cuttle, Steve; Thorman, Rachel E.; Li Changsheng

    2012-01-01

    Grazed grassland systems are an important component of the global carbon cycle and also influence global climate change through their emissions of nitrous oxide and methane. However, there are huge uncertainties and challenges in the development and parameterisation of process-based models for grazed grassland systems because of the wide diversity of vegetation and impacts of grazing animals. A process-based biogeochemistry model, DeNitrification-DeComposition (DNDC), has been modified to describe N 2 O emissions for the UK from regional conditions. This paper reports a new development of UK-DNDC in which the animal grazing practices were modified to track their contributions to the soil nitrogen (N) biogeochemistry. The new version of UK-DNDC was tested against datasets of N 2 O fluxes measured at three contrasting field sites. The results showed that the responses of the model to changes in grazing parameters were generally in agreement with observations, showing that N 2 O emissions increased as the grazing intensity increased. - Highlights: ► Parameterisation of grazing system using grazing intensity. ► Modification of UK D NDC for the UK soil and weather conditions. ► Validation of the UK D NDC against measured data of N 2 O emissions in three UK sites. ► Estimating influence of animal grazing practises on N 2 O emissions. - Grazing system was parameterised using grazing intensity and UK-DNDC model was modified and validated against measured data of N 2 O emissions in three UK sites.

  8. Investigation of Zircaloy-2 oxidation model for SFP accident analysis

    Energy Technology Data Exchange (ETDEWEB)

    Nemoto, Yoshiyuki, E-mail: nemoto.yoshiyuki@jaea.go.jp [Japan Atomic Energy Agency, 2-4 Shirakata, Ohaza, Tokai-mura, Naka-gun, Ibaraki, 319-1195 (Japan); Kaji, Yoshiyuki; Ogawa, Chihiro; Kondo, Keietsu [Japan Atomic Energy Agency, 2-4 Shirakata, Ohaza, Tokai-mura, Naka-gun, Ibaraki, 319-1195 (Japan); Nakashima, Kazuo; Kanazawa, Toru; Tojo, Masayuki [Global Nuclear Fuel – Japan Co., Ltd., 2-3-1, Uchikawa, Yokosuka-shi, Kanagawa, 239-0836 (Japan)

    2017-05-15

    The authors previously conducted thermogravimetric analyses on Zircaloy-2 in air. By using the thermogravimetric data, an oxidation model was constructed in this study so that it can be applied for the modeling of cladding degradation in spent fuel pool (SFP) severe accident condition. For its validation, oxidation tests of long cladding tube were conducted, and computational fluid dynamics analyses using the constructed oxidation model were proceeded to simulate the experiments. In the oxidation tests, high temperature thermal gradient along the cladding axis was applied and air flow rates in testing chamber were controlled to simulate hypothetical SFP accidents. The analytical outputs successfully reproduced the growth of oxide film and porous oxide layer on the claddings in oxidation tests, and validity of the oxidation model was proved. Influence of air flow rate for the oxidation behavior was thought negligible in the conditions investigated in this study. - Highlights: •An oxidation model of Zircaloy-2 in air environment was developed. •The oxidation model was validated by the comparison with oxidation tests using long cladding tubes in hypothetical spent fuel pool accident condition. •The oxidation model successfully reproduced the typical oxidation behavior in air.

  9. Accelerator System Model (ASM) user manual with physics and engineering model documentation. ASM version 1.0

    International Nuclear Information System (INIS)

    1993-07-01

    The Accelerator System Model (ASM) is a computer program developed to model proton radiofrequency accelerators and to carry out system level trade studies. The ASM FORTRAN subroutines are incorporated into an intuitive graphical user interface which provides for the open-quotes constructionclose quotes of the accelerator in a window on the computer screen. The interface is based on the Shell for Particle Accelerator Related Codes (SPARC) software technology written for the Macintosh operating system in the C programming language. This User Manual describes the operation and use of the ASM application within the SPARC interface. The Appendix provides a detailed description of the physics and engineering models used in ASM. ASM Version 1.0 is joint project of G. H. Gillespie Associates, Inc. and the Accelerator Technology (AT) Division of the Los Alamos National Laboratory. Neither the ASM Version 1.0 software nor this ASM Documentation may be reproduced without the expressed written consent of both the Los Alamos National Laboratory and G. H. Gillespie Associates, Inc

  10. Version 2.0 of the European Gas Model. Changes and their impact on the German gas sector

    International Nuclear Information System (INIS)

    Balmert, David; Petrov, Konstantin

    2015-01-01

    In January 2015 ACER, the European Agency for the Cooperation of Energy Regulators, presented an updated version of its target model for the inner-European natural gas market, also referred to as version 2.0 of the Gas Target Model. During 2014 the existing model, originally developed by the Council of European Energy Regulators (CEER) and launched in 2011, had been analysed, revised and updated in preparation of the new version. While it has few surprises to offer, the new Gas Target Model contains specifies and goes into greater detail on many elements of the original model. Some of the new content is highly relevant to the German gas sector, not least the deliberations on the current key issues, which are security of supply and the ability of the gas markets to function.

  11. Thermal modelling. Preliminary site description Simpevarp subarea - version 1.2

    International Nuclear Information System (INIS)

    Sundberg, Jan; Back, Paer-Erik; Bengtsson, Anna; Laendell, Maerta

    2005-08-01

    This report presents the thermal site descriptive model for the Simpevarp subarea, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at possible canister scale has been modelled for four different lithological domains (RSMA01 (Aevroe granite), RSMB01 (Fine-grained dioritoid), RSMC01 (mixture of Aevroe granite and Quartz monzodiorite), and RSMD01 (Quartz monzodiorite)). A main modelling approach has been used to determine the mean value of the thermal conductivity. Three alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological model for the Simpevarp subarea, version 1.2 together with rock type models constituted from measured and calculated (from mineral composition) thermal conductivities. For one rock type, the Aevroe granite (501044), density loggings within the specific rock type has also been used in the domain modelling in order to consider the spatial variability within the Aevroe granite. This has been possible due to the presented relationship between density and thermal conductivity, valid for the Aevroe granite. Results indicate that the mean of thermal conductivity is expected to exhibit only a small variation between the different domains, from 2.62 W/(m.K) to 2.80 W/(m.K). The standard deviation varies according to the scale considered and for the canister scale it is expected to range from 0.20 to 0.28 W/(m.K). Consequently, the lower confidence limit (95% confidence) for the canister scale is within the range 2.04-2.35 W/(m.K) for the different domains. The temperature dependence is rather small with a decrease in thermal conductivity of 1.1-3.4% per 100 deg C increase in temperature for the dominating rock

  12. Some Remarks on Stochastic Versions of the Ramsey Growth Model

    Czech Academy of Sciences Publication Activity Database

    Sladký, Karel

    2012-01-01

    Roč. 19, č. 29 (2012), s. 139-152 ISSN 1212-074X R&D Projects: GA ČR GAP402/10/1610; GA ČR GAP402/10/0956; GA ČR GAP402/11/0150 Institutional support: RVO:67985556 Keywords : Economic dynamics * Ramsey growth model with disturbance * stochastic dynamic programming * multistage stochastic programs Subject RIV: BB - Applied Statistics, Operational Research http://library.utia.cas.cz/separaty/2013/E/sladky-some remarks on stochastic versions of the ramsey growth model.pdf

  13. A multisensor evaluation of the asymmetric convective model, version 2, in southeast Texas.

    Science.gov (United States)

    Kolling, Jenna S; Pleim, Jonathan E; Jeffries, Harvey E; Vizuete, William

    2013-01-01

    There currently exist a number of planetary boundary layer (PBL) schemes that can represent the effects of turbulence in daytime convective conditions, although these schemes remain a large source of uncertainty in meteorology and air quality model simulations. This study evaluates a recently developed combined local and nonlocal closure PBL scheme, the Asymmetric Convective Model, version 2 (ACM2), against PBL observations taken from radar wind profilers, a ground-based lidar, and multiple daytime radiosonde balloon launches. These observations were compared against predictions of PBLs from the Weather Research and Forecasting (WRF) model version 3.1 with the ACM2 PBL scheme option, and the Fifth-Generation Meteorological Model (MM5) version 3.7.3 with the Eta PBL scheme option that is currently being used to develop ozone control strategies in southeast Texas. MM5 and WRF predictions during the regulatory modeling episode were evaluated on their ability to predict the rise and fall of the PBL during daytime convective conditions across southeastern Texas. The MM5 predicted PBLs consistently underpredicted observations, and were also less than the WRF PBL predictions. The analysis reveals that the MM5 predicted a slower rising and shallower PBL not representative of the daytime urban boundary layer. Alternatively, the WRF model predicted a more accurate PBL evolution improving the root mean square error (RMSE), both temporally and spatially. The WRF model also more accurately predicted vertical profiles of temperature and moisture in the lowest 3 km of the atmosphere. Inspection of median surface temperature and moisture time-series plots revealed higher predicted surface temperatures in WRF and more surface moisture in MM5. These could not be attributed to surface heat fluxes, and thus the differences in performance of the WRF and MM5 models are likely due to the PBL schemes. An accurate depiction of the diurnal evolution of the planetary boundary layer (PBL) is

  14. Incorporation of detailed eye model into polygon-mesh versions of ICRP-110 reference phantoms.

    Science.gov (United States)

    Nguyen, Thang Tat; Yeom, Yeon Soo; Kim, Han Sung; Wang, Zhao Jun; Han, Min Cheol; Kim, Chan Hyeong; Lee, Jai Ki; Zankl, Maria; Petoussi-Henss, Nina; Bolch, Wesley E; Lee, Choonsik; Chung, Beom Sun

    2015-11-21

    The dose coefficients for the eye lens reported in ICRP 2010 Publication 116 were calculated using both a stylized model and the ICRP-110 reference phantoms, according to the type of radiation, energy, and irradiation geometry. To maintain consistency of lens dose assessment, in the present study we incorporated the ICRP-116 detailed eye model into the converted polygon-mesh (PM) version of the ICRP-110 reference phantoms. After the incorporation, the dose coefficients for the eye lens were calculated and compared with those of the ICRP-116 data. The results showed generally a good agreement between the newly calculated lens dose coefficients and the values of ICRP 2010 Publication 116. Significant differences were found for some irradiation cases due mainly to the use of different types of phantoms. Considering that the PM version of the ICRP-110 reference phantoms preserve the original topology of the ICRP-110 reference phantoms, it is believed that the PM version phantoms, along with the detailed eye model, provide more reliable and consistent dose coefficients for the eye lens.

  15. Community Land Model Version 3.0 (CLM3.0) Developer's Guide

    Energy Technology Data Exchange (ETDEWEB)

    Hoffman, FM

    2004-12-21

    This document describes the guidelines adopted for software development of the Community Land Model (CLM) and serves as a reference to the entire code base of the released version of the model. The version of the code described here is Version 3.0 which was released in the summer of 2004. This document, the Community Land Model Version 3.0 (CLM3.0) User's Guide (Vertenstein et al., 2004), the Technical Description of the Community Land Model (CLM) (Oleson et al., 2004), and the Community Land Model's Dynamic Global Vegetation Model (CLM-DGVM): Technical Description and User's Guide (Levis et al., 2004) provide the developer, user, or researcher with details of implementation, instructions for using the model, a scientific description of the model, and a scientific description of the Dynamic Global Vegetation Model integrated with CLM respectively. The CLM is a single column (snow-soil-vegetation) biogeophysical model of the land surface which can be run serially (on a laptop or personal computer) or in parallel (using distributed or shared memory processors or both) on both vector and scalar computer architectures. Written in Fortran 90, CLM can be run offline (i.e., run in isolation using stored atmospheric forcing data), coupled to an atmospheric model (e.g., the Community Atmosphere Model (CAM)), or coupled to a climate system model (e.g., the Community Climate System Model Version 3 (CCSM3)) through a flux coupler (e.g., Coupler 6 (CPL6)). When coupled, CLM exchanges fluxes of energy, water, and momentum with the atmosphere. The horizontal land surface heterogeneity is represented by a nested subgrid hierarchy composed of gridcells, landunits, columns, and plant functional types (PFTs). This hierarchical representation is reflected in the data structures used by the model code. Biophysical processes are simulated for each subgrid unit (landunit, column, and PFT) independently, and prognostic variables are maintained for each subgrid unit

  16. Simulations of the Mid-Pliocene Warm Period Using Two Versions of the NASA-GISS ModelE2-R Coupled Model

    Science.gov (United States)

    Chandler, M. A.; Sohl, L. E.; Jonas, J. A.; Dowsett, H. J.; Kelley, M.

    2013-01-01

    The mid-Pliocene Warm Period (mPWP) bears many similarities to aspects of future global warming as projected by the Intergovernmental Panel on Climate Change (IPCC, 2007). Both marine and terrestrial data point to high-latitude temperature amplification, including large decreases in sea ice and land ice, as well as expansion of warmer climate biomes into higher latitudes. Here we present our most recent simulations of the mid-Pliocene climate using the CMIP5 version of the NASAGISS Earth System Model (ModelE2-R). We describe the substantial impact associated with a recent correction made in the implementation of the Gent-McWilliams ocean mixing scheme (GM), which has a large effect on the simulation of ocean surface temperatures, particularly in the North Atlantic Ocean. The effect of this correction on the Pliocene climate results would not have been easily determined from examining its impact on the preindustrial runs alone, a useful demonstration of how the consequences of code improvements as seen in modern climate control runs do not necessarily portend the impacts in extreme climates.Both the GM-corrected and GM-uncorrected simulations were contributed to the Pliocene Model Intercomparison Project (PlioMIP) Experiment 2. Many findings presented here corroborate results from other PlioMIP multi-model ensemble papers, but we also emphasize features in the ModelE2-R simulations that are unlike the ensemble means. The corrected version yields results that more closely resemble the ocean core data as well as the PRISM3D reconstructions of the mid-Pliocene, especially the dramatic warming in the North Atlantic and Greenland-Iceland-Norwegian Sea, which in the new simulation appears to be far more realistic than previously found with older versions of the GISS model. Our belief is that continued development of key physical routines in the atmospheric model, along with higher resolution and recent corrections to mixing parameterisations in the ocean model, have led

  17. Simpevarp - site descriptive model version 0

    International Nuclear Information System (INIS)

    2002-11-01

    During 2002, SKB is starting detailed investigations at two potential sites for a deep repository in the Precambrian rocks of the Fennoscandian Shield. The present report concerns one of those sites, Simpevarp, which lies in the municipality of Oskarshamn, on the southeast coast of Sweden, about 250 kilometres south of Stockholm. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. SKB maintains two main databases at the present time, a site characterisation database called SICADA and a geographic information system called SKB GIS. The site descriptive model will be developed and presented with the aid of the SKB GIS capabilities, and with SKBs Rock Visualisation System (RVS), which is also linked to SICADA. The version 0 model forms an important framework for subsequent model versions, which are developed successively, as new information from the site investigations becomes available. Version 0 is developed out of the information available at the start of the site investigation. In the case of Simpevarp, this is essentially the information which was compiled for the Oskarshamn feasibility study, which led to the choice of that area as a favourable object for further study, together with information collected since its completion. This information, with the exception of the extensive data base from the nearby Aespoe Hard Rock Laboratory, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. Against this background, the present report consists of the following components: an overview of the present content of the databases

  18. Oxide behaviour modelling progress in COMETHE

    International Nuclear Information System (INIS)

    Vliet, J. van; Hoppe, N.

    1983-01-01

    An attempt has been made to develop a global model which simultaneously describes many important aspects of uranium oxide under irradiation. The individual models describing fuel structural changes, swelling and gas release, which were earlier separate from one another, are now part of a more realistic integral fuel model. Fission gas release depends now on an explicitely calculated open porosity, which is generated by fuel swelling; the latter is in turn connected to fission gas release. The paper describes the individual oxide models and how they are linked together. (author)

  19. Accelerator System Model (ASM) user manual with physics and engineering model documentation. ASM version 1.0

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1993-07-01

    The Accelerator System Model (ASM) is a computer program developed to model proton radiofrequency accelerators and to carry out system level trade studies. The ASM FORTRAN subroutines are incorporated into an intuitive graphical user interface which provides for the {open_quotes}construction{close_quotes} of the accelerator in a window on the computer screen. The interface is based on the Shell for Particle Accelerator Related Codes (SPARC) software technology written for the Macintosh operating system in the C programming language. This User Manual describes the operation and use of the ASM application within the SPARC interface. The Appendix provides a detailed description of the physics and engineering models used in ASM. ASM Version 1.0 is joint project of G. H. Gillespie Associates, Inc. and the Accelerator Technology (AT) Division of the Los Alamos National Laboratory. Neither the ASM Version 1.0 software nor this ASM Documentation may be reproduced without the expressed written consent of both the Los Alamos National Laboratory and G. H. Gillespie Associates, Inc.

  20. Digital elevation models for site investigation programme in Oskarshamn. Site description version 1.2

    International Nuclear Information System (INIS)

    Brydsten, Lars; Stroemgren, Maarten

    2005-06-01

    In the Oskarshamn area, a digital elevation model has been produced using elevation data from many elevation sources on both land and sea. Many elevation model users are only interested in elevation models over land, so the model has been designed in three versions: Version 1 describes land surface, lake water surface, and sea bottom. Version 2 describes land surface, sediment levels at lake bottoms, and sea bottoms. Version 3 describes land surface, sediment levels at lake bottoms, and sea surface. In cases where the different sources of data were not in point form 'such as existing elevation models of land or depth lines from nautical charts' they have been converted to point values using GIS software. Because data from some sources often overlaps with data from other sources, several tests were conducted to determine if both sources of data or only one source would be included in the dataset used for the interpolation procedure. The tests resulted in the decision to use only the source judged to be of highest quality for most areas with overlapping data sources. All data were combined into a database of approximately 3.3 million points unevenly spread over an area of about 800 km 2 . The large number of data points made it difficult to construct the model with a single interpolation procedure, the area was divided into 28 sub-models that were processed one by one and finally merged together into one single model. The software ArcGis 8.3 and its extension Geostatistical Analysis were used for the interpolation. The Ordinary Kriging method was used for interpolation. This method allows both a cross validation and a validation before the interpolation is conducted. Cross validation with different Kriging parameters were performed and the model with the most reasonable statistics was chosen. Finally, a validation with the most appropriate Kriging parameters was performed in order to verify that the model fit unmeasured localities. Since both the quality and the

  1. Thermal modelling. Preliminary site description Simpevarp subarea - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Sundberg, Jan; Back, Paer-Erik; Bengtsson, Anna; Laendell, Maerta [Geo Innova AB, Linkoeping (Sweden)

    2005-08-15

    This report presents the thermal site descriptive model for the Simpevarp subarea, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at possible canister scale has been modelled for four different lithological domains (RSMA01 (Aevroe granite), RSMB01 (Fine-grained dioritoid), RSMC01 (mixture of Aevroe granite and Quartz monzodiorite), and RSMD01 (Quartz monzodiorite)). A main modelling approach has been used to determine the mean value of the thermal conductivity. Three alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological model for the Simpevarp subarea, version 1.2 together with rock type models constituted from measured and calculated (from mineral composition) thermal conductivities. For one rock type, the Aevroe granite (501044), density loggings within the specific rock type has also been used in the domain modelling in order to consider the spatial variability within the Aevroe granite. This has been possible due to the presented relationship between density and thermal conductivity, valid for the Aevroe granite. Results indicate that the mean of thermal conductivity is expected to exhibit only a small variation between the different domains, from 2.62 W/(m.K) to 2.80 W/(m.K). The standard deviation varies according to the scale considered and for the canister scale it is expected to range from 0.20 to 0.28 W/(m.K). Consequently, the lower confidence limit (95% confidence) for the canister scale is within the range 2.04-2.35 W/(m.K) for the different domains. The temperature dependence is rather small with a decrease in thermal conductivity of 1.1-3.4% per 100 deg C increase in temperature for the dominating rock

  2. Thermal modelling. Preliminary site description Laxemar subarea - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Sundberg, Jan; Wrafter, John; Back, Paer-Erik; Laendell, Maerta [Geo Innova AB, Linkoeping (Sweden)

    2006-02-15

    This report presents the thermal site descriptive model for the Laxemar subarea, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at canister scale has been modelled for five different lithological domains: RSMA (Aevroe granite), RSMBA (mixture of Aevroe granite and fine-grained dioritoid), RSMD (quartz monzodiorite), RSME (diorite/gabbro) and RSMM (mix domain with high frequency of diorite to gabbro). A base modelling approach has been used to determine the mean value of the thermal conductivity. Four alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological domain model for the Laxemar subarea, version 1.2 together with rock type models based on measured and calculated (from mineral composition) thermal conductivities. For one rock type, Aevroe granite (501044), density loggings have also been used in the domain modelling in order to evaluate the spatial variability within the Aevroe granite. This has been possible due to an established relationship between density and thermal conductivity, valid for the Aevroe granite. Results indicate that the means of thermal conductivity for the various domains are expected to exhibit a variation from 2.45 W/(m.K) to 2.87 W/(m.K). The standard deviation varies according to the scale considered, and for the 0.8 m scale it is expected to range from 0.17 to 0.29 W/(m.K). Estimates of lower tail percentiles for the same scale are presented for all five domains. The temperature dependence is rather small with a decrease in thermal conductivity of 1.1-5.3% per 100 deg C increase in temperature for the dominant rock types. There are a number of important uncertainties associated with these

  3. Trace contaminant control simulation computer program, version 8.1

    Science.gov (United States)

    Perry, J. L.

    1994-01-01

    The Trace Contaminant Control Simulation computer program is a tool for assessing the performance of various process technologies for removing trace chemical contamination from a spacecraft cabin atmosphere. Included in the simulation are chemical and physical adsorption by activated charcoal, chemical adsorption by lithium hydroxide, absorption by humidity condensate, and low- and high-temperature catalytic oxidation. Means are provided for simulating regenerable as well as nonregenerable systems. The program provides an overall mass balance of chemical contaminants in a spacecraft cabin given specified generation rates. Removal rates are based on device flow rates specified by the user and calculated removal efficiencies based on cabin concentration and removal technology experimental data. Versions 1.0 through 8.0 are documented in NASA TM-108409. TM-108409 also contains a source file listing for version 8.0. Changes to version 8.0 are documented in this technical memorandum and a source file listing for the modified version, version 8.1, is provided. Detailed descriptions for the computer program subprograms are extracted from TM-108409 and modified as necessary to reflect version 8.1. Version 8.1 supersedes version 8.0. Information on a separate user's guide is available from the author.

  4. Developments in kinetic modelling of chalcocite particle oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Jaervi, J; Ahokainen, T; Jokilaakso, A [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1998-12-31

    A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.

  5. Developments in kinetic modelling of chalcocite particle oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Jaervi, J.; Ahokainen, T.; Jokilaakso, A. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1997-12-31

    A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.

  6. A p-version embedded model for simulation of concrete temperature fields with cooling pipes

    Directory of Open Access Journals (Sweden)

    Sheng Qiang

    2015-07-01

    Full Text Available Pipe cooling is an effective method of mass concrete temperature control, but its accurate and convenient numerical simulation is still a cumbersome problem. An improved embedded model, considering the water temperature variation along the pipe, was proposed for simulating the temperature field of early-age concrete structures containing cooling pipes. The improved model was verified with an engineering example. Then, the p-version self-adaption algorithm for the improved embedded model was deduced, and the initial values and boundary conditions were examined. Comparison of some numerical samples shows that the proposed model can provide satisfying precision and a higher efficiency. The analysis efficiency can be doubled at the same precision, even for a large-scale element. The p-version algorithm can fit grids of different sizes for the temperature field simulation. The convenience of the proposed algorithm lies in the possibility of locating more pipe segments in one element without the need of so regular a shape as in the explicit model.

  7. The comparison of CAP88-PC version 2.0 versus CAP88-PC version 1.0

    International Nuclear Information System (INIS)

    Yakubovich, B.A.; Klee, K.O.; Palmer, C.R.; Spotts, P.B.

    1997-12-01

    40 CFR Part 61 (Subpart H of the NESHAP) requires DOE facilities to use approved sampling procedures, computer models, or other approved procedures when calculating Effective Dose Equivalent (EDE) values to members of the public. Currently version 1.0 of the approved computer model CAP88-PC is used to calculate EDE values. The DOE has upgraded the CAP88-PC software to version 2.0. This version provides simplified data entry, better printing characteristics, the use of a mouse, and other features. The DOE has developed and released version 2.0 for testing and comment. This new software is a WINDOWS based application that offers a new graphical user interface with new utilities for preparing and managing population and weather data, and several new decay chains. The program also allows the user to view results before printing. This document describes a test that confirmed CAP88-PC version 2.0 generates results comparable to the original version of the CAP88-PC program

  8. Phase-field modeling of corrosion kinetics under dual-oxidants

    Science.gov (United States)

    Wen, You-Hai; Chen, Long-Qing; Hawk, Jeffrey A.

    2012-04-01

    A phase-field model is proposed to simulate corrosion kinetics under a dual-oxidant atmosphere. It will be demonstrated that the model can be applied to simulate corrosion kinetics under oxidation, sulfidation and simultaneous oxidation/sulfidation processes. Phase-dependent diffusivities are incorporated in a natural manner and allow more realistic modeling as the diffusivities usually differ by many orders of magnitude in different phases. Simple free energy models are then used for testing the model while calibrated free energy models can be implemented for quantitative modeling.

  9. User's guide to the Yucca Mountain Integrating Model (YMIM) Version 2.1

    International Nuclear Information System (INIS)

    Gansemer, J.; Lamont, A.

    1995-04-01

    The Yucca Mountain Integrating Model (YMIM) is an integrated model of the engineered barrier system. It contains models of the processes of waste container failure and nuclide release from the fuel rods. YMIM is driven by scenarios of container and rod temperature, near-field chemistry, and near-field hydrology provided by other modules. It is designed to be highly modular so that a model of an individual process can be easily modified to replaced without interfering with the models of other processes. This manual describes the process models and provides instructions for setting up and running YMIM Version 2.1

  10. GLEAM version 3: Global Land Evaporation Datasets and Model

    Science.gov (United States)

    Martens, B.; Miralles, D. G.; Lievens, H.; van der Schalie, R.; de Jeu, R.; Fernandez-Prieto, D.; Verhoest, N.

    2015-12-01

    Terrestrial evaporation links energy, water and carbon cycles over land and is therefore a key variable of the climate system. However, the global-scale magnitude and variability of the flux, and the sensitivity of the underlying physical process to changes in environmental factors, are still poorly understood due to limitations in in situ measurements. As a result, several methods have risen to estimate global patterns of land evaporation from satellite observations. However, these algorithms generally differ in their approach to model evaporation, resulting in large differences in their estimates. One of these methods is GLEAM, the Global Land Evaporation: the Amsterdam Methodology. GLEAM estimates terrestrial evaporation based on daily satellite observations of meteorological variables, vegetation characteristics and soil moisture. Since the publication of the first version of the algorithm (2011), the model has been widely applied to analyse trends in the water cycle and land-atmospheric feedbacks during extreme hydrometeorological events. A third version of the GLEAM global datasets is foreseen by the end of 2015. Given the relevance of having a continuous and reliable record of global-scale evaporation estimates for climate and hydrological research, the establishment of an online data portal to host these data to the public is also foreseen. In this new release of the GLEAM datasets, different components of the model have been updated, with the most significant change being the revision of the data assimilation algorithm. In this presentation, we will highlight the most important changes of the methodology and present three new GLEAM datasets and their validation against in situ observations and an alternative dataset of terrestrial evaporation (ERA-Land). Results of the validation exercise indicate that the magnitude and the spatiotemporal variability of the modelled evaporation agree reasonably well with the estimates of ERA-Land and the in situ

  11. Digital elevation models for site investigation programme in Oskarshamn. Site description version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Brydsten, Lars; Stroemgren, Maarten [Umeaa Univ. (Sweden). Dept. of Biology and Environmental Science

    2005-06-01

    In the Oskarshamn area, a digital elevation model has been produced using elevation data from many elevation sources on both land and sea. Many elevation model users are only interested in elevation models over land, so the model has been designed in three versions: Version 1 describes land surface, lake water surface, and sea bottom. Version 2 describes land surface, sediment levels at lake bottoms, and sea bottoms. Version 3 describes land surface, sediment levels at lake bottoms, and sea surface. In cases where the different sources of data were not in point form 'such as existing elevation models of land or depth lines from nautical charts' they have been converted to point values using GIS software. Because data from some sources often overlaps with data from other sources, several tests were conducted to determine if both sources of data or only one source would be included in the dataset used for the interpolation procedure. The tests resulted in the decision to use only the source judged to be of highest quality for most areas with overlapping data sources. All data were combined into a database of approximately 3.3 million points unevenly spread over an area of about 800 km{sup 2}. The large number of data points made it difficult to construct the model with a single interpolation procedure, the area was divided into 28 sub-models that were processed one by one and finally merged together into one single model. The software ArcGis 8.3 and its extension Geostatistical Analysis were used for the interpolation. The Ordinary Kriging method was used for interpolation. This method allows both a cross validation and a validation before the interpolation is conducted. Cross validation with different Kriging parameters were performed and the model with the most reasonable statistics was chosen. Finally, a validation with the most appropriate Kriging parameters was performed in order to verify that the model fit unmeasured localities. Since both the

  12. Modeling of thermal expansion coefficient of perovskite oxide for solid oxide fuel cell cathode

    Science.gov (United States)

    Heydari, F.; Maghsoudipour, A.; Alizadeh, M.; Khakpour, Z.; Javaheri, M.

    2015-09-01

    Artificial intelligence models have the capacity to eliminate the need for expensive experimental investigation in various areas of manufacturing processes, including the material science. This study investigates the applicability of adaptive neuro-fuzzy inference system (ANFIS) approach for modeling the performance parameters of thermal expansion coefficient (TEC) of perovskite oxide for solid oxide fuel cell cathode. Oxides (Ln = La, Nd, Sm and M = Fe, Ni, Mn) have been prepared and characterized to study the influence of the different cations on TEC. Experimental results have shown TEC decreases favorably with substitution of Nd3+ and Mn3+ ions in the lattice. Structural parameters of compounds have been determined by X-ray diffraction, and field emission scanning electron microscopy has been used for the morphological study. Comparison results indicated that the ANFIS technique could be employed successfully in modeling thermal expansion coefficient of perovskite oxide for solid oxide fuel cell cathode, and considerable savings in terms of cost and time could be obtained by using ANFIS technique.

  13. Incremental testing of the Community Multiscale Air Quality (CMAQ modeling system version 4.7

    Directory of Open Access Journals (Sweden)

    K. M. Foley

    2010-03-01

    Full Text Available This paper describes the scientific and structural updates to the latest release of the Community Multiscale Air Quality (CMAQ modeling system version 4.7 (v4.7 and points the reader to additional resources for further details. The model updates were evaluated relative to observations and results from previous model versions in a series of simulations conducted to incrementally assess the effect of each change. The focus of this paper is on five major scientific upgrades: (a updates to the heterogeneous N2O5 parameterization, (b improvement in the treatment of secondary organic aerosol (SOA, (c inclusion of dynamic mass transfer for coarse-mode aerosol, (d revisions to the cloud model, and (e new options for the calculation of photolysis rates. Incremental test simulations over the eastern United States during January and August 2006 are evaluated to assess the model response to each scientific improvement, providing explanations of differences in results between v4.7 and previously released CMAQ model versions. Particulate sulfate predictions are improved across all monitoring networks during both seasons due to cloud module updates. Numerous updates to the SOA module improve the simulation of seasonal variability and decrease the bias in organic carbon predictions at urban sites in the winter. Bias in the total mass of fine particulate matter (PM2.5 is dominated by overpredictions of unspeciated PM2.5 (PMother in the winter and by underpredictions of carbon in the summer. The CMAQv4.7 model results show slightly worse performance for ozone predictions. However, changes to the meteorological inputs are found to have a much greater impact on ozone predictions compared to changes to the CMAQ modules described here. Model updates had little effect on existing biases in wet deposition predictions.

  14. A physiologically based kinetic model for bacterial sulfide oxidation.

    Science.gov (United States)

    Klok, Johannes B M; de Graaff, Marco; van den Bosch, Pim L F; Boelee, Nadine C; Keesman, Karel J; Janssen, Albert J H

    2013-02-01

    In the biotechnological process for hydrogen sulfide removal from gas streams, a variety of oxidation products can be formed. Under natron-alkaline conditions, sulfide is oxidized by haloalkaliphilic sulfide oxidizing bacteria via flavocytochrome c oxidoreductase. From previous studies, it was concluded that the oxidation-reduction state of cytochrome c is a direct measure for the bacterial end-product formation. Given this physiological feature, incorporation of the oxidation state of cytochrome c in a mathematical model for the bacterial oxidation kinetics will yield a physiologically based model structure. This paper presents a physiologically based model, describing the dynamic formation of the various end-products in the biodesulfurization process. It consists of three elements: 1) Michaelis-Menten kinetics combined with 2) a cytochrome c driven mechanism describing 3) the rate determining enzymes of the respiratory system of haloalkaliphilic sulfide oxidizing bacteria. The proposed model is successfully validated against independent data obtained from biological respiration tests and bench scale gas-lift reactor experiments. The results demonstrate that the model is a powerful tool to describe product formation for haloalkaliphilic biomass under dynamic conditions. The model predicts a maximum S⁰ formation of about 98 mol%. A future challenge is the optimization of this bioprocess by improving the dissolved oxygen control strategy and reactor design. Copyright © 2012 Elsevier Ltd. All rights reserved.

  15. Homogeneity of Continuum Model of an Unsteady State Fixed Bed Reactor for Lean CH4 Oxidation

    Directory of Open Access Journals (Sweden)

    Subagjo

    2014-07-01

    Full Text Available In this study, the homogeneity of the continuum model of a fixed bed reactor operated in steady state and unsteady state systems for lean CH4 oxidation is investigated. The steady-state fixed bed reactor system was operated under once-through direction, while the unsteady-state fixed bed reactor system was operated under flow reversal. The governing equations consisting of mass and energy balances were solved using the FlexPDE software package, version 6. The model selection is indispensable for an effective calculation since the simulation of a reverse flow reactor is time-consuming. The homogeneous and heterogeneous models for steady state operation gave similar conversions and temperature profiles, with a deviation of 0.12 to 0.14%. For reverse flow operation, the deviations of the continuum models of thepseudo-homogeneous and heterogeneous models were in the range of 25-65%. It is suggested that pseudo-homogeneous models can be applied to steady state systems, whereas heterogeneous models have to be applied to unsteady state systems.

  16. An MCM modeling study of nitryl chloride (ClNO2) impacts on oxidation, ozone production and nitrogen oxide partitioning in polluted continental outflow

    Science.gov (United States)

    Riedel, T. P.; Wolfe, G. M.; Danas, K. T.; Gilman, J. B.; Kuster, W. C.; Bon, D. M.; Vlasenko, A.; Li, S.-M.; Williams, E. J.; Lerner, B. M.; Veres, P. R.; Roberts, J. M.; Holloway, J. S.; Lefer, B.; Brown, S. S.; Thornton, J. A.

    2014-04-01

    Nitryl chloride (ClNO2) is produced at night by reactions of dinitrogen pentoxide (N2O5) on chloride containing surfaces. ClNO2 is photolyzed during the morning hours after sunrise to liberate highly reactive chlorine atoms (Cl·). This chemistry takes place primarily in polluted environments where the concentrations of N2O5 precursors (nitrogen oxide radicals and ozone) are high, though it likely occurs in remote regions at lower intensities. Recent field measurements have illustrated the potential importance of ClNO2 as a daytime Cl· source and a nighttime NOx reservoir. However, the fate of the Cl· and the overall impact of ClNO2 on regional photochemistry remain poorly constrained by measurements and models. To this end, we have incorporated ClNO2 production, photolysis, and subsequent Cl· reactions into an existing master chemical mechanism (MCM version 3.2) box model framework using observational constraints from the CalNex 2010 field study. Cl· reactions with a set of alkenes and alcohols, and the simplified multiphase chemistry of N2O5, ClNO2, HOCl, ClONO2, and Cl2, none of which are currently part of the MCM, have been added to the mechanism. The presence of ClNO2 produces significant changes to oxidants, ozone, and nitrogen oxide partitioning, relative to model runs excluding ClNO2 formation. From a nighttime maximum of 1.5 ppbv ClNO2, the daytime maximum Cl· concentration reaches 1 × 105 atoms cm-3 at 07:00 model time, reacting mostly with a large suite of volatile organic compounds (VOC) to produce 2.2 times more organic peroxy radicals in the morning than in the absence of ClNO2. In the presence of several ppbv of nitrogen oxide radicals (NOx = NO + NO2), these perturbations lead to similar enhancements in hydrogen oxide radicals (HOx = OH + HO2). Neglecting contributions from HONO, the total integrated daytime radical source is 17% larger when including ClNO2, which leads to a similar enhancement in integrated ozone production of 15%. Detectable

  17. Forsmark site investigation. Assessment of the validity of the rock domain model, version 1.2, based on the modelling of gravity and petrophysical data

    International Nuclear Information System (INIS)

    Isaksson, Hans; Stephens, Michael B.

    2007-11-01

    This document reports the results gained by the geophysical modelling of rock domains based on gravity and petrophysical data, which is one of the activities performed within the site investigation work at Forsmark. The main objective with this activity is to assess the validity of the geological rock domain model version 1.2, and to identify discrepancies in the model that may indicate a need for revision of the model or a need for additional investigations. The verification is carried out by comparing the calculated gravity model response, which takes account of the geological model, with a local gravity anomaly that represents the measured data. The model response is obtained from the three-dimensional geometry and the petrophysical data provided for each rock domain in the geological model. Due to model boundary conditions, the study is carried out in a smaller area within the regional model area. Gravity model responses are calculated in three stages; an initial model, a base model and a refined base model. The refined base model is preferred and is used for comparison purposes. In general, there is a good agreement between the refined base model that makes use of the rock domain model, version 1.2 and the measured gravity data, not least where it concerns the depth extension of the critical rock domain RFM029. The most significant discrepancy occurs in the area extending from the SFR office to the SFR underground facility and further to the northwest. It is speculated that this discrepancy is caused by a combination of an overestimation of the volume of gabbro (RFM016) that plunges towards the southeast in the rock domain model, and an underestimation of the volume of occurrence of pegmatite and pegmatitic granite that are known to be present and occur as larger bodies around SFR. Other discrepancies are noted in rock domain RFM022, which is considered to be overestimated in the rock domain model, version 1.2, and in rock domain RFM017, where the gravity

  18. Solid Waste Projection Model: Database (Version 1.4)

    International Nuclear Information System (INIS)

    Blackburn, C.; Cillan, T.

    1993-09-01

    The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC). The SWPM system provides a modeling and analysis environment that supports decisions in the process of evaluating various solid waste management alternatives. This document, one of a series describing the SWPM system, contains detailed information regarding the software and data structures utilized in developing the SWPM Version 1.4 Database. This document is intended for use by experienced database specialists and supports database maintenance, utility development, and database enhancement. Those interested in using the SWPM database should refer to the SWPM Database User's Guide. This document is available from the PNL Task M Project Manager (D. L. Stiles, 509-372-4358), the PNL Task L Project Manager (L. L. Armacost, 509-372-4304), the WHC Restoration Projects Section Manager (509-372-1443), or the WHC Waste Characterization Manager (509-372-1193)

  19. Modelling of UO2 oxidation in steam

    International Nuclear Information System (INIS)

    Brito, A.C.; Iglesias, F.C.; Liu, Y.

    1996-01-01

    A computer model has been developed for calculating oxidation of UO 2 at high temperatures in steam oxidising conditions. Several methods to calculate the partial pressure of oxygen in the fuel and in the environment surrounding the fuel are available. The various methodologies have been compared and the best models have been compiled into a computer model which will be implemented into fuel thermal/mechanical behaviour codes such as FACTAR 2.0 (LOECI) and ELESIM/ELOCA. Calculations from the computer model have been compared to experimental results. The calculated oxidation reaction kinetics are in good agreement with the experimental data. (author)

  20. Model for low temperature oxidation during long term interim storage

    Energy Technology Data Exchange (ETDEWEB)

    Desgranges, Clara; Bertrand, Nathalie; Gauvain, Danielle; Terlain, Anne [Service de la Corrosion et du Comportement des Materiaux dans leur Environnement, CEA/Saclay - 91191 Gif-sur-Yvette Cedex (France); Poquillon, Dominique; Monceau, Daniel [CIRIMAT UMR 5085, ENSIACET-INPT, 31077 Toulouse Cedex 4 (France)

    2004-07-01

    For high-level nuclear waste containers in long-term interim storage, dry oxidation will be the first and the main degradation mode during about one century. The metal lost by dry oxidation over such a long period must be evaluated with a good reliability. To achieve this goal, modelling of the oxide scale growth is necessary and this is the aim of the dry oxidation studies performed in the frame of the COCON program. An advanced model based on the description of elementary mechanisms involved in scale growth at low temperatures, like partial interfacial control of the oxidation kinetics and/or grain boundary diffusion, is developed in order to increase the reliability of the long term extrapolations deduced from basic models developed from short time experiments. Since only few experimental data on dry oxidation are available in the temperature range of interest, experiments have also been performed to evaluate the relevant input parameters for models like grain size of oxide scale, considering iron as simplified material. (authors)

  1. Model for low temperature oxidation during long term interim storage

    International Nuclear Information System (INIS)

    Desgranges, Clara; Bertrand, Nathalie; Gauvain, Danielle; Terlain, Anne; Poquillon, Dominique; Monceau, Daniel

    2004-01-01

    For high-level nuclear waste containers in long-term interim storage, dry oxidation will be the first and the main degradation mode during about one century. The metal lost by dry oxidation over such a long period must be evaluated with a good reliability. To achieve this goal, modelling of the oxide scale growth is necessary and this is the aim of the dry oxidation studies performed in the frame of the COCON program. An advanced model based on the description of elementary mechanisms involved in scale growth at low temperatures, like partial interfacial control of the oxidation kinetics and/or grain boundary diffusion, is developed in order to increase the reliability of the long term extrapolations deduced from basic models developed from short time experiments. Since only few experimental data on dry oxidation are available in the temperature range of interest, experiments have also been performed to evaluate the relevant input parameters for models like grain size of oxide scale, considering iron as simplified material. (authors)

  2. COMODI: an ontology to characterise differences in versions of computational models in biology.

    Science.gov (United States)

    Scharm, Martin; Waltemath, Dagmar; Mendes, Pedro; Wolkenhauer, Olaf

    2016-07-11

    Open model repositories provide ready-to-reuse computational models of biological systems. Models within those repositories evolve over time, leading to different model versions. Taken together, the underlying changes reflect a model's provenance and thus can give valuable insights into the studied biology. Currently, however, changes cannot be semantically interpreted. To improve this situation, we developed an ontology of terms describing changes in models. The ontology can be used by scientists and within software to characterise model updates at the level of single changes. When studying or reusing a model, these annotations help with determining the relevance of a change in a given context. We manually studied changes in selected models from BioModels and the Physiome Model Repository. Using the BiVeS tool for difference detection, we then performed an automatic analysis of changes in all models published in these repositories. The resulting set of concepts led us to define candidate terms for the ontology. In a final step, we aggregated and classified these terms and built the first version of the ontology. We present COMODI, an ontology needed because COmputational MOdels DIffer. It empowers users and software to describe changes in a model on the semantic level. COMODI also enables software to implement user-specific filter options for the display of model changes. Finally, COMODI is a step towards predicting how a change in a model influences the simulation results. COMODI, coupled with our algorithm for difference detection, ensures the transparency of a model's evolution, and it enhances the traceability of updates and error corrections. COMODI is encoded in OWL. It is openly available at http://comodi.sems.uni-rostock.de/ .

  3. GOOSE Version 1.4: A powerful object-oriented simulation environment for developing reactor models

    International Nuclear Information System (INIS)

    Nypaver, D.J.; March-Leuba, C.; Abdalla, M.A.; Guimaraes, L.

    1992-01-01

    A prototype software package for a fully interactive Generalized Object-Oriented Simulation Environment (GOOSE) is being developed at Oak Ridge National Laboratory. Dynamic models are easily constructed and tested; fully interactive capabilities allow the user to alter model parameters and complexity without recompilation. This environment provides assess to powerful tools such as numerical integration packages, graphical displays, and online help. In GOOSE, portability has been achieved by creating the environment in Objective-C 1 , which is supported by a variety of platforms including UNIX and DOS. GOOSE Version 1.4 introduces new enhancements like the capability of creating ''initial,'' ''dynamic,'' and ''digital'' methods. The object-oriented approach to simulation used in GOOSE combines the concept of modularity with the additional features of allowing precompilation, optimization, testing, and validation of individual modules. Once a library of classes has been defined and compiled, models can be built and modified without recompilation. GOOSE Version 1.4 is primarily command-line driven

  4. Towards New Empirical Versions of Financial and Accounting Models Corrected for Measurement Errors

    OpenAIRE

    Francois-Éric Racicot; Raymond Théoret; Alain Coen

    2006-01-01

    In this paper, we propose a new empirical version of the Fama and French Model based on the Hausman (1978) specification test and aimed at discarding measurement errors in the variables. The proposed empirical framework is general enough to be used for correcting other financial and accounting models of measurement errors. Removing measurement errors is important at many levels as information disclosure, corporate governance and protection of investors.

  5. Integrated Medical Model (IMM) Optimization Version 4.0 Functional Improvements

    Science.gov (United States)

    Arellano, John; Young, M.; Boley, L.; Garcia, Y.; Saile, L.; Walton, M.; Kerstman, E.; Reyes, D.; Goodenow, D. A.; Myers, J. G.

    2016-01-01

    The IMMs ability to assess mission outcome risk levels relative to available resources provides a unique capability to provide guidance on optimal operational medical kit and vehicle resources. Post-processing optimization allows IMM to optimize essential resources to improve a specific model outcome such as maximization of the Crew Health Index (CHI), or minimization of the probability of evacuation (EVAC) or the loss of crew life (LOCL). Mass and or volume constrain the optimized resource set. The IMMs probabilistic simulation uses input data on one hundred medical conditions to simulate medical events that may occur in spaceflight, the resources required to treat those events, and the resulting impact to the mission based on specific crew and mission characteristics. Because IMM version 4.0 provides for partial treatment for medical events, IMM Optimization 4.0 scores resources at the individual resource unit increment level as opposed to the full condition-specific treatment set level, as done in version 3.0. This allows the inclusion of as many resources as possible in the event that an entire set of resources called out for treatment cannot satisfy the constraints. IMM Optimization version 4.0 adds capabilities that increase efficiency by creating multiple resource sets based on differing constraints and priorities, CHI, EVAC, or LOCL. It also provides sets of resources that improve mission-related IMM v4.0 outputs with improved performance compared to the prior optimization. The new optimization represents much improved fidelity that will improve the utility of the IMM 4.0 for decision support.

  6. Approaches in highly parameterized inversion—PEST++ Version 3, a Parameter ESTimation and uncertainty analysis software suite optimized for large environmental models

    Science.gov (United States)

    Welter, David E.; White, Jeremy T.; Hunt, Randall J.; Doherty, John E.

    2015-09-18

    The PEST++ Version 1 object-oriented parameter estimation code is here extended to Version 3 to incorporate additional algorithms and tools to further improve support for large and complex environmental modeling problems. PEST++ Version 3 includes the Gauss-Marquardt-Levenberg (GML) algorithm for nonlinear parameter estimation, Tikhonov regularization, integrated linear-based uncertainty quantification, options of integrated TCP/IP based parallel run management or external independent run management by use of a Version 2 update of the GENIE Version 1 software code, and utilities for global sensitivity analyses. The Version 3 code design is consistent with PEST++ Version 1 and continues to be designed to lower the barriers of entry for users as well as developers while providing efficient and optimized algorithms capable of accommodating large, highly parameterized inverse problems. As such, this effort continues the original focus of (1) implementing the most popular and powerful features of the PEST software suite in a fashion that is easy for novice or experienced modelers to use and (2) developing a software framework that is easy to extend.

  7. Assessment of the impact of oxidation processes on indoor air pollution using the new time-resolved INCA-Indoor model

    Science.gov (United States)

    Mendez, Maxence; Blond, Nadège; Blondeau, Patrice; Schoemaecker, Coralie; Hauglustaine, Didier A.

    2015-12-01

    INCA-Indoor, a new indoor air quality (IAQ) model, has been developed to simulate the concentrations of volatile organic compounds (VOC) and oxidants considering indoor air specific processes such as: emission, ventilation, surface interactions (sorption, deposition, uptake). Based on the detailed version of SAPRC-07 chemical mechanism, INCA-Indoor is able to analyze the contribution of the production and loss pathways of key chemical species (VOCs, oxidants, radical species). The potential of this model has been tested through three complementary analyses: a comparison with the most detailed IAQ model found in the literature, focusing on oxidant species; realistic scenarios covering a large range of conditions, involving variable OH sources like HONO; and the investigation of alkenes ozonolysis under a large range of indoor conditions that can increase OH and HO2 concentrations. Simulations have been run changing nitrous acid (HONO) concentrations, NOx levels, photolysis rates and ventilation rates, showing that HONO can be the main source of indoor OH. Cleaning events using products containing D-limonene have been simulated at different periods of the day. These scenarios show that HOX concentrations can significantly increase in specific conditions. An assessment of the impact of indoor chemistry on the potential formation of secondary species such as formaldehyde (HCHO) and acetaldehyde (CH3CHO) has been carried out under various room configuration scenarios and a study of the HOx budget for different realistic scenarios has been performed. It has been shown that, under the simulation conditions, formaldehyde can be affected by oxidant concentrations via chemical production which can account for more than 10% of the total production, representing 6.5 ppb/h. On the other hand, acetaldehyde production is affected more by oxidation processes. When the photolysis rates are high, chemical processes are responsible for about 50% of the total production of

  8. Description and evaluation of the Model for Ozone and Related chemical Tracers, version 4 (MOZART-4

    Directory of Open Access Journals (Sweden)

    L. K. Emmons

    2010-01-01

    Full Text Available The Model for Ozone and Related chemical Tracers, version 4 (MOZART-4 is an offline global chemical transport model particularly suited for studies of the troposphere. The updates of the model from its previous version MOZART-2 are described, including an expansion of the chemical mechanism to include more detailed hydrocarbon chemistry and bulk aerosols. Online calculations of a number of processes, such as dry deposition, emissions of isoprene and monoterpenes and photolysis frequencies, are now included. Results from an eight-year simulation (2000–2007 are presented and evaluated. The MOZART-4 source code and standard input files are available for download from the NCAR Community Data Portal (http://cdp.ucar.edu.

  9. Atmospheric radionuclide transport model with radon postprocessor and SBG module. Model description version 2.8.0; ARTM. Atmosphaerisches Radionuklid-Transport-Modell mit Radon Postprozessor und SBG-Modul. Modellbeschreibung zu Version 2.8.0

    Energy Technology Data Exchange (ETDEWEB)

    Richter, Cornelia; Sogalla, Martin; Thielen, Harald; Martens, Reinhard

    2015-04-20

    The study on the atmospheric radionuclide transport model with radon postprocessor and SBG module (model description version 2.8.0) covers the following issues: determination of emissions, radioactive decay, atmospheric dispersion calculation for radioactive gases, atmospheric dispersion calculation for radioactive dusts, determination of the gamma cloud radiation (gamma submersion), terrain roughness, effective source height, calculation area and model points, geographic reference systems and coordinate transformations, meteorological data, use of invalid meteorological data sets, consideration of statistical uncertainties, consideration of housings, consideration of bumpiness, consideration of terrain roughness, use of frequency distributions of the hourly dispersion situation, consideration of the vegetation period (summer), the radon post processor radon.exe, the SBG module, modeling of wind fields, shading settings.

  10. Neuraxial blockade for external cephalic version: Cost analysis.

    Science.gov (United States)

    Yamasato, Kelly; Kaneshiro, Bliss; Salcedo, Jennifer

    2015-07-01

    Neuraxial blockade (epidural or spinal anesthesia/analgesia) with external cephalic version increases the external cephalic version success rate. Hospitals and insurers may affect access to neuraxial blockade for external cephalic version, but the costs to these institutions remain largely unstudied. The objective of this study was to perform a cost analysis of neuraxial blockade use during external cephalic version from hospital and insurance payer perspectives. Secondarily, we estimated the effect of neuraxial blockade on cesarean delivery rates. A decision-analysis model was developed using costs and probabilities occurring prenatally through the delivery hospital admission. Model inputs were derived from the literature, national databases, and local supply costs. Univariate and bivariate sensitivity analyses and Monte Carlo simulations were performed to assess model robustness. Neuraxial blockade was cost saving to both hospitals ($30 per delivery) and insurers ($539 per delivery) using baseline estimates. From both perspectives, however, the model was sensitive to multiple variables. Monte Carlo simulation indicated neuraxial blockade to be more costly in approximately 50% of scenarios. The model demonstrated that routine use of neuraxial blockade during external cephalic version, compared to no neuraxial blockade, prevented 17 cesarean deliveries for every 100 external cephalic versions attempted. Neuraxial blockade is associated with minimal hospital and insurer cost changes in the setting of external cephalic version, while reducing the cesarean delivery rate. © 2015 The Authors. Journal of Obstetrics and Gynaecology Research © 2015 Japan Society of Obstetrics and Gynecology.

  11. Version pressure feedback mechanisms for speculative versioning caches

    Science.gov (United States)

    Eichenberger, Alexandre E.; Gara, Alan; O& #x27; Brien, Kathryn M.; Ohmacht, Martin; Zhuang, Xiaotong

    2013-03-12

    Mechanisms are provided for controlling version pressure on a speculative versioning cache. Raw version pressure data is collected based on one or more threads accessing cache lines of the speculative versioning cache. One or more statistical measures of version pressure are generated based on the collected raw version pressure data. A determination is made as to whether one or more modifications to an operation of a data processing system are to be performed based on the one or more statistical measures of version pressure, the one or more modifications affecting version pressure exerted on the speculative versioning cache. An operation of the data processing system is modified based on the one or more determined modifications, in response to a determination that one or more modifications to the operation of the data processing system are to be performed, to affect the version pressure exerted on the speculative versioning cache.

  12. Windows(Registered Trademark)-Based Software Models Cyclic Oxidation Behavior

    Science.gov (United States)

    Smialek, J. L.; Auping, J. V.

    2004-01-01

    Oxidation of high-temperature aerospace materials is a universal issue for combustion-path components in turbine or rocket engines. In addition to the question of the consumption of material due to growth of protective scale at use temperatures, there is also the question of cyclic effects and spallation of scale on cooldown. The spallation results in the removal of part of the protective oxide in a discontinuous step and thereby opens the way for more rapid oxidation upon reheating. In experiments, cyclic oxidation behavior is most commonly characterized by measuring changes in weight during extended time intervals that include hundreds or thousands of heating and cooling cycles. Weight gains occurring during isothermal scale-growth processes have been well characterized as being parabolic or nearly parabolic functions of time because diffusion controls reaction rates. In contrast, the net weight change in cyclic oxidation is the sum of the effects of the growth and spallation of scale. Typically, the net weight gain in cyclic oxidation is determined only empirically (that is, by measurement), with no unique or straightforward mathematical connection to either the rate of growth or the amount of metal consumed. Thus, there is a need for mathematical modeling to infer spallation mechanisms. COSP is a computer program that models the growth and spallation processes of cyclic oxidation on the basis of a few elementary assumptions that were discussed in COSP: A Computer Model of Cyclic Oxidation, Oxidation of Metals, vol. 36, numbers 1 and 2, 1991, pages 81-112. Inputs to the model include the selection of an oxidation-growth law and a spalling geometry, plus oxide-phase, growth-rate, cycle-duration, and spall-constant parameters. (The spalling fraction is often shown to be a constant factor times the existing amount of scale.) The output of COSP includes the net change in weight, the amounts of retained and spalled oxide, the total amounts of oxygen and metal

  13. Advanced methods of solid oxide fuel cell modeling

    CERN Document Server

    Milewski, Jaroslaw; Santarelli, Massimo; Leone, Pierluigi

    2011-01-01

    Fuel cells are widely regarded as the future of the power and transportation industries. Intensive research in this area now requires new methods of fuel cell operation modeling and cell design. Typical mathematical models are based on the physical process description of fuel cells and require a detailed knowledge of the microscopic properties that govern both chemical and electrochemical reactions. ""Advanced Methods of Solid Oxide Fuel Cell Modeling"" proposes the alternative methodology of generalized artificial neural networks (ANN) solid oxide fuel cell (SOFC) modeling. ""Advanced Methods

  14. Evaluating the impact of new observational constraints on P-S/IVOC emissions, multi-generation oxidation, and chamber wall losses on SOA modeling for Los Angeles, CA

    Science.gov (United States)

    Ma, Prettiny K.; Zhao, Yunliang; Robinson, Allen L.; Worton, David R.; Goldstein, Allen H.; Ortega, Amber M.; Jimenez, Jose L.; Zotter, Peter; Prévôt, André S. H.; Szidat, Sönke; Hayes, Patrick L.

    2017-08-01

    Secondary organic aerosol (SOA) is an important contributor to fine particulate matter (PM) mass in polluted regions, and its modeling remains poorly constrained. A box model is developed that uses recently published literature parameterizations and data sets to better constrain and evaluate the formation pathways and precursors of urban SOA during the CalNex 2010 campaign in Los Angeles. When using the measurements of intermediate-volatility organic compounds (IVOCs) reported in Zhao et al. (2014) and of semi-volatile organic compounds (SVOCs) reported in Worton et al. (2014) the model is biased high at longer photochemical ages, whereas at shorter photochemical ages it is biased low, if the yields for VOC oxidation are not updated. The parameterizations using an updated version of the yields, which takes into account the effect of gas-phase wall losses in environmental chambers, show model-measurement agreement at longer photochemical ages, even though some low bias at short photochemical ages still remains. Furthermore, the fossil and non-fossil carbon split of urban SOA simulated by the model is consistent with measurements at the Pasadena ground site. Multi-generation oxidation mechanisms are often employed in SOA models to increase the SOA yields derived from environmental chamber experiments in order to obtain better model-measurement agreement. However, there are many uncertainties associated with these aging mechanisms. Thus, SOA formation in the model is compared to data from an oxidation flow reactor (OFR) in order to constrain SOA formation at longer photochemical ages than observed in urban air. The model predicts similar SOA mass at short to moderate photochemical ages when the aging mechanisms or the updated version of the yields for VOC oxidation are implemented. The latter case has SOA formation rates that are more consistent with observations from the OFR though. Aging mechanisms may still play an important role in SOA chemistry, but the

  15. Analysis of Handling Processes of Record Versions in NoSQL Databases

    Directory of Open Access Journals (Sweden)

    Yu. A. Grigorev

    2015-01-01

    Full Text Available This article investigates the handling processes versions of a record in NoSQL databases. The goal of this work is to develop a model, which enables users both to handle record versions and work with a record simultaneously. This model allows us to estimate both a time distribution for users to handle record versions and a distribution of the count of record versions. With eventual consistency (W=R=1 there is a possibility for several users to update any record simultaneously. In this case, several versions of records with the same key will be stored in database. When reading, the user obtains all versions, handles them, and saves a new version, while older versions are deleted. According to the model, the user’s time for handling the record versions consists of two parts: random handling time of each version and random deliberation time for handling a result. Record saving time and records deleting time are much less than handling time, so, they are ignored in the model. The paper offers two model variants. According to the first variant, client's handling time of one record version is calculated as the sum of random handling times of one version based on the count of record versions. This variant ignores explicitly the fact that handling time of record versions may depend on the update count, performed by the other users between the sequential updates of the record by the current client. So there is the second variant, which takes this feature into consideration. The developed models were implemented in the GPSS environment. The model experiments with different counts of clients and different ratio between one record handling time and results deliberation time were conducted. The analysis showed that despite the resemblance of model variants, a difference in change nature between average values of record versions count and handling time is significant. In the second variant dependences of the average count of record versions in database and

  16. Simulated pre-industrial climate in Bergen Climate Model (version 2: model description and large-scale circulation features

    Directory of Open Access Journals (Sweden)

    O. H. Otterå

    2009-11-01

    Full Text Available The Bergen Climate Model (BCM is a fully-coupled atmosphere-ocean-sea-ice model that provides state-of-the-art computer simulations of the Earth's past, present, and future climate. Here, a pre-industrial multi-century simulation with an updated version of BCM is described and compared to observational data. The model is run without any form of flux adjustments and is stable for several centuries. The simulated climate reproduces the general large-scale circulation in the atmosphere reasonably well, except for a positive bias in the high latitude sea level pressure distribution. Also, by introducing an updated turbulence scheme in the atmosphere model a persistent cold bias has been eliminated. For the ocean part, the model drifts in sea surface temperatures and salinities are considerably reduced compared to earlier versions of BCM. Improved conservation properties in the ocean model have contributed to this. Furthermore, by choosing a reference pressure at 2000 m and including thermobaric effects in the ocean model, a more realistic meridional overturning circulation is simulated in the Atlantic Ocean. The simulated sea-ice extent in the Northern Hemisphere is in general agreement with observational data except for summer where the extent is somewhat underestimated. In the Southern Hemisphere, large negative biases are found in the simulated sea-ice extent. This is partly related to problems with the mixed layer parametrization, causing the mixed layer in the Southern Ocean to be too deep, which in turn makes it hard to maintain a realistic sea-ice cover here. However, despite some problematic issues, the pre-industrial control simulation presented here should still be appropriate for climate change studies requiring multi-century simulations.

  17. Technical Note: Description and assessment of a nudged version of the new dynamics Unified Model

    Directory of Open Access Journals (Sweden)

    O. Morgenstern

    2008-03-01

    Full Text Available We present a "nudged" version of the Met Office general circulation model, the Unified Model. We constrain this global climate model using ERA-40 re-analysis data with the aim of reproducing the observed "weather" over a year from September 1999. Quantitative assessments are made of its performance, focusing on dynamical aspects of nudging and demonstrating that the "weather" is well simulated.

  18. Preliminary site description Forsmark area - version 1.1

    International Nuclear Information System (INIS)

    2004-03-01

    This report presents the interim version (model version 1.1) of the preliminary Site Descriptive Model for Forsmark. The basis for this interim version is quality-assured, geoscientific and ecological field data from Forsmark that were available in the SKB databases SICADA and GIS at April 30, 2003 as well as version 0 of the Site Descriptive Model. The new data acquired during the initial site investigation phase to the date of data freeze 1.1 constitute the basis for the updating of version 0 to version 1.1. These data originate from surface investigations on the candidate area with its regional environment and from drilling and investigations in boreholes. The surface-based data sets were rather extensive whereas the data sets from boreholes were limited to information from one 1,000 m deep cored borehole (KFM01A) and eight 150 to 200 m deep percussion-drilled boreholes in the Forsmark candidate area. Discipline specific models are developed for a selected regional and local model volume and these are then integrated into a site description. The current methodologies for developing the discipline specific models and the integration of these are documented in methodology reports or strategy reports. In the present work, the guidelines given in those reports were followed to the extent possible with the data and information available at the time for data freeze for model version 1.1. Compared with version 0 there are considerable additional features in the version 1.1, especially in the geological description and in the description of the near surface. The geological models of lithology and deformation zones are based on borehole information and much higher resolution surface data. The existence of highly fractured sub-horizontal zones has been verified and these are now part of the model of the deformation zones. A discrete fracture network (DFN) model has also been developed. The rock mechanics model is based on strength information from SFR and an empirical

  19. Modeling and Experimental Studies of Mercury Oxidation and Adsorption in a Fixed-Bed Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Buitrago, Paula A.; Morrill, Mike; Lighty, JoAnn S.; Silcox, Geoffrey D.

    2009-06-15

    This report presents experimental and modeling mercury oxidation and adsorption data. Fixed-bed and single-particle models of mercury adsorption were developed. The experimental data were obtained with two reactors: a 300-W, methane-fired, tubular, quartz-lined reactor for studying homogeneous oxidation reactions and a fixed-bed reactor, also of quartz, for studying heterogeneous reactions. The latter was attached to the exit of the former to provide realistic combustion gases. The fixed-bed reactor contained one gram of coconut-shell carbon and remained at a temperature of 150°C. All methane, air, SO2, and halogen species were introduced through the burner to produce a radical pool representative of real combustion systems. A Tekran 2537A Analyzer coupled with a wet conditioning system provided speciated mercury concentrations. At 150°C and in the absence of HCl or HBr, the mercury uptake was about 20%. The addition of 50 ppm HCl caused complete capture of all elemental and oxidized mercury species. In the absence of halogens, SO2 increased the mercury adsorption efficiency to up to 30 percent. The extent of adsorption decreased with increasing SO2 concentration when halogens were present. Increasing the HCl concentration to 100 ppm lessened the effect of SO2. The fixed-bed model incorporates Langmuir adsorption kinetics and was developed to predict adsorption of elemental mercury and the effect of multiple flue gas components. This model neglects intraparticle diffusional resistances and is only applicable to pulverized carbon sorbents. It roughly describes experimental data from the literature. The current version includes the ability to account for competitive adsorption between mercury, SO2, and NO2. The single particle model simulates in-flight sorbent capture of elemental mercury. This model was developed to include Langmuir and Freundlich isotherms, rate equations, sorbent feed rate, and

  20. Kinetic modeling of antimony(III) oxidation and sorption in soils.

    Science.gov (United States)

    Cai, Yongbing; Mi, Yuting; Zhang, Hua

    2016-10-05

    Kinetic batch and saturated column experiments were performed to study the oxidation, adsorption and transport of Sb(III) in two soils with contrasting properties. Kinetic and column experiment results clearly demonstrated the extensive oxidation of Sb(III) in soils, and this can in return influence the adsorption and transport of Sb. Both sorption capacity and kinetic oxidation rate were much higher in calcareous Huanjiang soil than in acid red Yingtan soil. The results indicate that soil serve as a catalyst in promoting oxidation of Sb(III) even under anaerobic conditions. A PHREEQC model with kinetic formulations was developed to simulate the oxidation, sorption and transport of Sb(III) in soils. The model successfully described Sb(III) oxidation and sorption data in kinetic batch experiment. It was less successful in simulating the reactive transport of Sb(III) in soil columns. Additional processes such as colloid facilitated transport need to be quantified and considered in the model. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Modelling of the partial oxidation of {alpha}, {beta}-unsaturated aldehydes on Mo-V-oxides based catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Boehnke, H.; Petzoldt, J.C.; Stein, B.; Weimer, C.; Gaube, J.W. [Technische Univ. Darmstadt (Germany). Inst. fuer Chemische Technologie

    1998-12-31

    A kinetic model based on the Mars-van Krevelen mechanism that allows to describe the microkinetics of the heterogeneously catalysed partial oxidation of {alpha}, {beta}-unsaturated aldehydes is presented. This conversion is represented by a network, composed of the oxidation of the {alpha}, {beta}-unsaturated aldehyde towards the {alpha}, {beta}-unsaturated carboxylic acid and the consecutive oxidation of the acid as well as the parallel reaction of the aldehyde to products of deeper oxidation. The reaction steps of aldehyde respectively acid oxidation and catalyst reoxidation have been investigated separately in transient experiments. The combination of steady state and transient experiments has led to an improved understanding of the interaction of the catalyst with the aldehyde and the carboxylic acids as well as to a support of the kinetic model assumptions. (orig.)

  2. The role of lager beer yeast in oxidative stability of model beer

    DEFF Research Database (Denmark)

    Berner, Torben Sune; Arneborg, Nils

    2012-01-01

    that the oxidative stress resistance was strain dependent. Fermentation of model wort in European Brewing Convention tubes using three yeast strains with varying oxidative stress resistances resulted in three model beers with different rates of radical formation as measured by electron spin resonance in forced......AIMS: In this study, we investigated the relationship between the ability of lager brewing yeast strains to tolerate oxidative stress and their ability to produce oxidative stable model beer. METHODS AND RESULTS: Screening of 21 lager brewing yeast strains against diamide and paraquat showed...... in the model beers. CONCLUSIONS: A more oxidative stable beer is not obtained by a more-oxidative-stress-tolerant lager brewing yeast strain, exhibiting a higher secretion of thioredoxin, but rather by a less-oxidative-stress-tolerant strain, exhibiting a higher iron uptake. SIGNIFICANCE AND IMPACT...

  3. Modeling of PWR fuel at extended burnup

    International Nuclear Information System (INIS)

    Dias, Raphael Mejias

    2016-01-01

    This work studies the modifications implemented over successive versions in the empirical models of the computer program FRAPCON used to simulate the steady state irradiation performance of Pressurized Water Reactor (PWR) fuel rods under high burnup condition. In the study, the empirical models present in FRAPCON official documentation were analyzed. A literature study was conducted on the effects of high burnup in nuclear fuels and to improve the understanding of the models used by FRAPCON program in these conditions. A steady state fuel performance analysis was conducted for a typical PWR fuel rod using FRAPCON program versions 3.3, 3.4, and 3.5. The results presented by the different versions of the program were compared in order to verify the impact of model changes in the output parameters of the program. It was observed that the changes brought significant differences in the results of the fuel rod thermal and mechanical parameters, especially when they evolved from FRAPCON-3.3 version to FRAPCON-3.5 version. Lower temperatures, lower cladding stress and strain, lower cladding oxide layer thickness were obtained in the fuel rod analyzed with the FRAPCON-3.5 version. (author)

  4. Tier I Rice Model - Version 1.0 - Guidance for Estimating Pesticide Concentrations in Rice Paddies

    Science.gov (United States)

    Describes a Tier I Rice Model (Version 1.0) for estimating surface water exposure from the use of pesticides in rice paddies. The concentration calculated can be used for aquatic ecological risk and drinking water exposure assessments.

  5. Model of dopant action in oxide cathodes

    International Nuclear Information System (INIS)

    Engelsen, Daniel den; Gaertner, Georg

    2005-01-01

    The paper describes an electrochemical model, which largely explains the formation of Ba in the oxide cathode at activation and normal operation. In a non-doped oxide cathode electrolysis of BaO is, besides the exchange reaction from the activators in the cathode nickel, an important source of Ba. By doping with rare earth oxides the conductivity of the oxide layer increases, which implies that the potential difference during current drawing over the oxide layer becomes lower and electrolysis of BaO is suppressed. This implies that the part of the electronic conductivity of the (Ba,Sr)O layer induced by the dopants also controls the sensitivity for poisoning: the higher the dopant level, the larger the sensitivity for poisoning. Furthermore, the suppression of electrolysis during normal operation largely explains why doped oxide cathodes have a better life performance than non-doped cathodes. Finally a hypothesis on the enhancement of sintering upon doping is presented

  6. Finite element modelling of the oxidation kinetics of Zircaloy-4 with a controlled metal-oxide interface and the influence of growth stress

    International Nuclear Information System (INIS)

    Zumpicchiat, Guillaume; Pascal, Serge; Tupin, Marc; Berdin-Méric, Clotilde

    2015-01-01

    Highlights: We developed two finite element models of zirconium-based alloy oxidation using the CEA Cast3M code to simulate the oxidation kinetics of Zircaloy-4: the diffuse interface model and the sharp interface model. We also studied the effect of stresses on the oxidation kinetics. The main results are: • Both models lead to parabolic oxidation kinetics in agreement with the Wagner’s theory. • The modellings enable to calculate the stress distribution in the oxide as well as in the metal. • A strong effect of the hydrostatic stress on the oxidation kinetics has been evidenced. • The stress gradient effect changes the parabolic kinetics into a sub-parabolic law closer to the experimental kinetics because of the stress gradient itself, but also because of the growth stress increase with the oxide thickness. - Abstract: Experimentally, zirconium-based alloys oxidation kinetics is sub-parabolic, by contrast with the Wagner theory which predicts a parabolic kinetics. Two finite element models have been developed to simulate this phenomenon: the diffuse interface model and the sharp interface model. Both simulate parabolic oxidation kinetics. The growth stress effects on oxygen diffusion are studied to try to explain the gap between theory and experience. Taking into account the influence of the hydrostatic stress and its gradient into the oxygen flux expression, sub-parabolic oxidation kinetics have been simulated. The sub-parabolic behaviour of the oxidation kinetics can be explained by a non-uniform compressive stress level into the oxide layer.

  7. Modeling of nitrous oxide production by autotrophic ammonia-oxidizing bacteria with multiple production pathways.

    Science.gov (United States)

    Ni, Bing-Jie; Peng, Lai; Law, Yingyu; Guo, Jianhua; Yuan, Zhiguo

    2014-04-01

    Autotrophic ammonia oxidizing bacteria (AOB) have been recognized as a major contributor to N2O production in wastewater treatment systems. However, so far N2O models have been proposed based on a single N2O production pathway by AOB, and there is still a lack of effective approach for the integration of these models. In this work, an integrated mathematical model that considers multiple production pathways is developed to describe N2O production by AOB. The pathways considered include the nitrifier denitrification pathway (N2O as the final product of AOB denitrification with NO2(-) as the terminal electron acceptor) and the hydroxylamine (NH2OH) pathway (N2O as a byproduct of incomplete oxidation of NH2OH to NO2(-)). In this model, the oxidation and reduction processes are modeled separately, with intracellular electron carriers introduced to link the two types of processes. The model is calibrated and validated using experimental data obtained with two independent nitrifying cultures. The model satisfactorily describes the N2O data from both systems. The model also predicts shifts of the dominating pathway at various dissolved oxygen (DO) and nitrite levels, consistent with previous hypotheses. This unified model is expected to enhance our ability to predict N2O production by AOB in wastewater treatment systems under varying operational conditions.

  8. Preliminary site description Forsmark area - version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-03-01

    This report presents the interim version (model version 1.1) of the preliminary Site Descriptive Model for Forsmark. The basis for this interim version is quality-assured, geoscientific and ecological field data from Forsmark that were available in the SKB databases SICADA and GIS at April 30, 2003 as well as version 0 of the Site Descriptive Model. The new data acquired during the initial site investigation phase to the date of data freeze 1.1 constitute the basis for the updating of version 0 to version 1.1. These data originate from surface investigations on the candidate area with its regional environment and from drilling and investigations in boreholes. The surface-based data sets were rather extensive whereas the data sets from boreholes were limited to information from one 1,000 m deep cored borehole (KFM01A) and eight 150 to 200 m deep percussion-drilled boreholes in the Forsmark candidate area. Discipline specific models are developed for a selected regional and local model volume and these are then integrated into a site description. The current methodologies for developing the discipline specific models and the integration of these are documented in methodology reports or strategy reports. In the present work, the guidelines given in those reports were followed to the extent possible with the data and information available at the time for data freeze for model version 1.1. Compared with version 0 there are considerable additional features in the version 1.1, especially in the geological description and in the description of the near surface. The geological models of lithology and deformation zones are based on borehole information and much higher resolution surface data. The existence of highly fractured sub-horizontal zones has been verified and these are now part of the model of the deformation zones. A discrete fracture network (DFN) model has also been developed. The rock mechanics model is based on strength information from SFR and an empirical

  9. Fundamental Studies of Butane Oxidation over Model-Supported Vanadium Oxide Catalysts: Molecular Structure-Reactivity Relationships

    NARCIS (Netherlands)

    Wachs, I.E.; Jehng, J.M.; Deo, G.; Weckhuysen, B.M.; Guliants, V.V.; Benziger, J.B.; Sundaresan, S.

    1997-01-01

    The oxidation of n-butane to maleic anhydride was investigated over a series of model-supported vanadia catalysts where the vanadia phase was present as a two-dimensional metal oxide overlayer on the different oxide supports (TiO2, ZrO2, CeO2, Nb2O5, Al2O3, and SiO2). No correlation was found

  10. GENII Version 2 Users’ Guide

    Energy Technology Data Exchange (ETDEWEB)

    Napier, Bruce A.

    2004-03-08

    The GENII Version 2 computer code was developed for the Environmental Protection Agency (EPA) at Pacific Northwest National Laboratory (PNNL) to incorporate the internal dosimetry models recommended by the International Commission on Radiological Protection (ICRP) and the radiological risk estimating procedures of Federal Guidance Report 13 into updated versions of existing environmental pathway analysis models. The resulting environmental dosimetry computer codes are compiled in the GENII Environmental Dosimetry System. The GENII system was developed to provide a state-of-the-art, technically peer-reviewed, documented set of programs for calculating radiation dose and risk from radionuclides released to the environment. The codes were designed with the flexibility to accommodate input parameters for a wide variety of generic sites. Operation of a new version of the codes, GENII Version 2, is described in this report. Two versions of the GENII Version 2 code system are available, a full-featured version and a version specifically designed for demonstrating compliance with the dose limits specified in 40 CFR 61.93(a), the National Emission Standards for Hazardous Air Pollutants (NESHAPS) for radionuclides. The only differences lie in the limitation of the capabilities of the user to change specific parameters in the NESHAPS version. This report describes the data entry, accomplished via interactive, menu-driven user interfaces. Default exposure and consumption parameters are provided for both the average (population) and maximum individual; however, these may be modified by the user. Source term information may be entered as radionuclide release quantities for transport scenarios, or as basic radionuclide concentrations in environmental media (air, water, soil). For input of basic or derived concentrations, decay of parent radionuclides and ingrowth of radioactive decay products prior to the start of the exposure scenario may be considered. A single code run can

  11. Selective Oxidation of Lignin Model Compounds.

    Science.gov (United States)

    Gao, Ruili; Li, Yanding; Kim, Hoon; Mobley, Justin K; Ralph, John

    2018-05-02

    Lignin, the planet's most abundant renewable source of aromatic compounds, is difficult to degrade efficiently to welldefined aromatics. We developed a microwave-assisted catalytic Swern oxidation system using an easily prepared catalyst, MoO 2 Cl 2 (DMSO) 2 , and DMSO as the solvent and oxidant. It demonstrated high efficiency in transforming lignin model compounds containing the units and functional groups found in native lignins. The aromatic ring substituents strongly influenced the selectivity of β-ether phenolic dimer cleavage to generate sinapaldehyde and coniferaldehyde, monomers not usually produced by oxidative methods. Time-course studies on two key intermediates provided insight into the reaction pathway. Owing to the broad scope of this oxidation system and the insight gleaned with regard to its mechanism, this strategy could be adapted and applied in a general sense to the production of useful aromatic chemicals from phenolics and lignin. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Simulating the 2012 High Plains Drought Using Three Single Column Model Versions of the Community Earth System Model (SCM-CESM)

    Science.gov (United States)

    Medina, I. D.; Denning, S.

    2014-12-01

    The impact of changes in the frequency and severity of drought on fresh water sustainability is a great concern for many regions of the world. One such location is the High Plains, where the local economy is primarily driven by fresh water withdrawals from the Ogallala Aquifer, which accounts for approximately 30% of total irrigation withdrawals from all U.S. aquifers combined. Modeling studies that focus on the feedback mechanisms that control the climate and eco-hydrology during times of drought are limited in the sense that they use conventional General Circulation Models (GCMs) with grid length scales ranging from one hundred to several hundred kilometers. Additionally, these models utilize crude statistical parameterizations of cloud processes for estimating sub-grid fluxes of heat and moisture and have a poor representation of land surface heterogeneity. For this research, we focus on the 2012 High Plains drought, and will perform numerical simulations using three single column model versions of the Community Earth System Model (SCM-CESM) at multiple sites overlying the Ogallala Aquifer for the 2010-2012 period. In the first version of SCM-CESM, CESM will be used in standard mode (Community Atmospheric Model (CAM) coupled to a single instance of the Community Land Model (CLM)), secondly, CESM will be used in Super-Parameterized mode (SP-CESM), where a cloud resolving model (CRM consists of 32 atmospheric columns) replaces the standard CAM atmospheric parameterization and is coupled to a single instance of CLM, and thirdly, CESM is used in "Multi Instance" SP-CESM mode, where an instance of CLM is coupled to each CRM column of SP-CESM (32 CRM columns coupled to 32 instances of CLM). To assess the physical realism of the land-atmosphere feedbacks simulated at each site by all versions of SCM-CESM, differences in simulated energy and moisture fluxes will be computed between years for the 2010-2012 period, and will be compared to differences calculated using

  13. Multiscale model of metal alloy oxidation at grain boundaries

    International Nuclear Information System (INIS)

    Sushko, Maria L.; Alexandrov, Vitaly; Schreiber, Daniel K.; Rosso, Kevin M.; Bruemmer, Stephen M.

    2015-01-01

    High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides. The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr 2 O 3 . This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl 2 O 4 . Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3–10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr 2 O 3 has a plate-like structure with 1.2–1.7 nm wide pores running along the grain boundary, while NiAl 2 O 4 has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular direction providing an additional

  14. User's guide to the MESOI diffusion model: Version 1.1 (for Data General Eclipse S/230 with AFOS)

    International Nuclear Information System (INIS)

    Athey, G.F.; Ramsdell, J.V.

    1982-09-01

    MESOI is an interactive, Langrangian puff trajectory model. The model theory is documented separately (Ramsdell and Athey, 1981). Version 1.1 is a modified form of the original 1.0. It is designed to run on a Data General Eclipse computer. The model has improved support features which make it useful as an emergency response tool. This report is intended to provide the user with the information necessary to successfully conduct model simulations using MESOI Version 1.1 and to use the support programs STAPREP and EXPLT. The user is also provided information on the use of the data file maintenance and review program UPDATE. Examples are given for the operation of the program. Test data sets are described which allow the user to practice with the programs and to confirm proper implementation and execution

  15. New Source Term Model for the RESRAD-OFFSITE Code Version 3

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Charley [Argonne National Lab. (ANL), Argonne, IL (United States); Gnanapragasam, Emmanuel [Argonne National Lab. (ANL), Argonne, IL (United States); Cheng, Jing-Jy [Argonne National Lab. (ANL), Argonne, IL (United States); Kamboj, Sunita [Argonne National Lab. (ANL), Argonne, IL (United States); Chen, Shih-Yew [Argonne National Lab. (ANL), Argonne, IL (United States)

    2013-06-01

    This report documents the new source term model developed and implemented in Version 3 of the RESRAD-OFFSITE code. This new source term model includes: (1) "first order release with transport" option, in which the release of the radionuclide is proportional to the inventory in the primary contamination and the user-specified leach rate is the proportionality constant, (2) "equilibrium desorption release" option, in which the user specifies the distribution coefficient which quantifies the partitioning of the radionuclide between the solid and aqueous phases, and (3) "uniform release" option, in which the radionuclides are released from a constant fraction of the initially contaminated material during each time interval and the user specifies the duration over which the radionuclides are released.

  16. Increased pain relief with remifentanil does not improve the success rate of external cephalic version: a randomized controlled trial.

    Science.gov (United States)

    Burgos, Jorge; Pijoan, José I; Osuna, Carmen; Cobos, Patricia; Rodriguez, Leire; Centeno, María del Mar; Serna, Rosa; Jimenez, Antonia; Garcia, Eugenia; Fernandez-Llebrez, Luis; Melchor, Juan C

    2016-05-01

    Our objective was to compare the effect of two pain relief methods (remifentanil vs. nitrous oxide) on the success rate of external cephalic version. We conducted a randomized open label parallel-group controlled single-center clinical trial with sequential design, at Cruces University Hospital, Spain. Singleton pregnancies in noncephalic presentation at term that were referred for external cephalic version were assigned according to a balanced (1:1) restricted randomization scheme to analgesic treatment with remifentanil or nitrous oxide during the procedure. The primary endpoint was external cephalic version success rate. Secondary endpoints were adverse event rate, degree of pain, cesarean rate and perinatal outcomes. The trial was stopped early after the second interim analysis due to a very low likelihood of finding substantial differences in efficacy (futility). The external cephalic version success rate was the same in the two arms (31/60, 51.7%) with 120 women recruited, 60 in each arm. The mean pain score was significantly lower in the remifentanil group (3.2 ± 2.4 vs. 6.0 ± 2.3; p external cephalic version-related complications. There was a trend toward a higher frequency of adverse effects in the remifentanil group (18.3% vs. 6.7%, p = 0.10), with a significantly higher incidence rate (21.7 events/100 women vs. 6.7 events/100 women with nitrous oxide, p = 0.03). All reported adverse events were mild and reversible. Remifentanil for analgesia decreased external cephalic version-related pain but did not increase the success rate of external cephalic version at term and appeared to be associated with an increased frequency of mild adverse effects. © 2016 Nordic Federation of Societies of Obstetrics and Gynecology.

  17. A new version of code Java for 3D simulation of the CCA model

    Science.gov (United States)

    Zhang, Kebo; Xiong, Hailing; Li, Chao

    2016-07-01

    In this paper we present a new version of the program of CCA model. In order to benefit from the advantages involved in the latest technologies, we migrated the running environment from JDK1.6 to JDK1.7. And the old program was optimized into a new framework, so promoted extendibility.

  18. MESOI Version 2.0: an interactive mesoscale Lagrangian puff dispersion model with deposition and decay

    International Nuclear Information System (INIS)

    Ramsdell, J.V.; Athey, G.F.; Glantz, C.S.

    1983-11-01

    MESOI Version 2.0 is an interactive Lagrangian puff model for estimating the transport, diffusion, deposition and decay of effluents released to the atmosphere. The model is capable of treating simultaneous releases from as many as four release points, which may be elevated or at ground-level. The puffs are advected by a horizontal wind field that is defined in three dimensions. The wind field may be adjusted for expected topographic effects. The concentration distribution within the puffs is initially assumed to be Gaussian in the horizontal and vertical. However, the vertical concentration distribution is modified by assuming reflection at the ground and the top of the atmospheric mixing layer. Material is deposited on the surface using a source depletion, dry deposition model and a washout coefficient model. The model also treats the decay of a primary effluent species and the ingrowth and decay of a single daughter species using a first order decay process. This report is divided into two parts. The first part discusses the theoretical and mathematical bases upon which MESOI Version 2.0 is based. The second part contains the MESOI computer code. The programs were written in the ANSI standard FORTRAN 77 and were developed on a VAX 11/780 computer. 43 references, 14 figures, 13 tables

  19. Profiling the biological activity of oxide nanomaterials with mechanistic models

    NARCIS (Netherlands)

    Burello, E.

    2013-01-01

    In this study we present three mechanistic models for profiling the potential biological and toxicological effects of oxide nanomaterials. The models attempt to describe the reactivity, protein adsorption and membrane adhesion processes of a large range of oxide materials and are based on properties

  20. Nuclear criticality safety handbook. Version 2

    International Nuclear Information System (INIS)

    1999-03-01

    The Nuclear Criticality Safety Handbook, Version 2 essentially includes the description of the Supplement Report to the Nuclear Criticality Safety Handbook, released in 1995, into the first version of Nuclear Criticality Safety Handbook, published in 1988. The following two points are new: (1) exemplifying safety margins related to modelled dissolution and extraction processes, (2) describing evaluation methods and alarm system for criticality accidents. Revision is made based on previous studies for the chapter that treats modelling the fuel system: e.g., the fuel grain size that the system can be regarded as homogeneous, non-uniformity effect of fuel solution, and burnup credit. This revision solves the inconsistencies found in the first version between the evaluation of errors found in JACS code system and criticality condition data that were calculated based on the evaluation. (author)

  1. Modeling Manganese Sorption and Surface Oxidation During Filtration

    OpenAIRE

    Bierlein, Kevin Andrew

    2012-01-01

    Soluble manganese (Mn) is a common contaminant in drinking water sources. High levels of Mn can lead to aesthetic water quality problems, necessitating removal of Mn during treatment to minimize consumer complaints. Mn may be removed during granular media filtration by the â natural greensand effect,â in which soluble Mn adsorbs to manganese oxide-coated (MnOx(s)) media and is then oxidized by chlorine, forming more manganese oxide. This research builds on a previous model developed by Mer...

  2. Version 2.0 of the European Gas Model. Changes and their impact on the German gas sector; Das europaeische Gas Target Model 2.0. Aenderungen und Auswirkungen auf den deutschen Gassektor

    Energy Technology Data Exchange (ETDEWEB)

    Balmert, David; Petrov, Konstantin [DNV GL, Bonn (Germany)

    2015-06-15

    In January 2015 ACER, the European Agency for the Cooperation of Energy Regulators, presented an updated version of its target model for the inner-European natural gas market, also referred to as version 2.0 of the Gas Target Model. During 2014 the existing model, originally developed by the Council of European Energy Regulators (CEER) and launched in 2011, had been analysed, revised and updated in preparation of the new version. While it has few surprises to offer, the new Gas Target Model contains specifies and goes into greater detail on many elements of the original model. Some of the new content is highly relevant to the German gas sector, not least the deliberations on the current key issues, which are security of supply and the ability of the gas markets to function.

  3. A RETRAN-02 model of the Sizewell B PCSR design - the Winfrith one-loop model, version 3.0

    International Nuclear Information System (INIS)

    Kinnersly, S.R.

    1983-11-01

    A one-loop RETRAN-02 model of the Sizewell B Pre Construction Safety Report (PCSR) design, set up at Winfrith, is described and documented. The model is suitable for symmetrical pressurised transients. Comparison with data from the Sizewell B PCSR shows that the model is a good representation of that design. Known errors, limitations and deficiencies are described. The mode of storage and maintenance at Winfrith using PROMUS (Program Maintenance and Update System) is noted. It is recommended that users modify the standard data by adding replacement cards to the end so as to aid in identification, use and maintenance of local versions. (author)

  4. Land-Use Portfolio Modeler, Version 1.0

    Science.gov (United States)

    Taketa, Richard; Hong, Makiko

    2010-01-01

    -on-investment. The portfolio model, now known as the Land-Use Portfolio Model (LUPM), provided the framework for the development of the Land-Use Portfolio Modeler, Version 1.0 software (LUPM v1.0). The software provides a geographic information system (GIS)-based modeling tool for evaluating alternative risk-reduction mitigation strategies for specific natural-hazard events. The modeler uses information about a specific natural-hazard event and the features exposed to that event within the targeted study region to derive a measure of a given mitigation strategy`s effectiveness. Harnessing the spatial capabilities of a GIS enables the tool to provide a rich, interactive mapping environment in which users can create, analyze, visualize, and compare different

  5. Site investigation SFR. Hydrogeological modelling of SFR. Model version 0.2

    Energy Technology Data Exchange (ETDEWEB)

    Oehman, Johan (Golder Associates AB (Sweden)); Follin, Sven (SF GeoLogic (Sweden))

    2010-01-15

    The Swedish Nuclear Fuel and Waste Management Company (SKB) has conducted site investigations for a planned extension of the existing final repository for short-lived radioactive waste (SFR). A hydrogeological model is developed in three model versions, which will be used for safety assessment and design analyses. This report presents a data analysis of the currently available hydrogeological data from the ongoing Site Investigation SFR (KFR27, KFR101, KFR102A, KFR102B, KFR103, KFR104, and KFR105). The purpose of this work is to develop a preliminary hydrogeological Discrete Fracture Network model (hydro-DFN) parameterisation that can be applied in regional-scale modelling. During this work, the Geologic model had not yet been updated for the new data set. Therefore, all analyses were made to the rock mass outside Possible Deformation Zones, according to Single Hole Interpretation. Owing to this circumstance, it was decided not to perform a complete hydro-DFN calibration at this stage. Instead focus was re-directed to preparatory test cases and conceptual questions with the aim to provide a sound strategy for developing the hydrogeological model SFR v. 1.0. The presented preliminary hydro-DFN consists of five fracture sets and three depth domains. A statistical/geometrical approach (connectivity analysis /Follin et al. 2005/) was performed to estimate the size (i.e. fracture radius) distribution of fractures that are interpreted as Open in geologic mapping of core data. Transmissivity relations were established based on an assumption of a correlation between the size and evaluated specific capacity of geologic features coupled to inflows measured by the Posiva Flow Log device (PFL-f data). The preliminary hydro-DFN was applied in flow simulations in order to test its performance and to explore the role of PFL-f data. Several insights were gained and a few model technical issues were raised. These are summarised in Table 5-1

  6. Site investigation SFR. Hydrogeological modelling of SFR. Model version 0.2

    International Nuclear Information System (INIS)

    Oehman, Johan; Follin, Sven

    2010-01-01

    The Swedish Nuclear Fuel and Waste Management Company (SKB) has conducted site investigations for a planned extension of the existing final repository for short-lived radioactive waste (SFR). A hydrogeological model is developed in three model versions, which will be used for safety assessment and design analyses. This report presents a data analysis of the currently available hydrogeological data from the ongoing Site Investigation SFR (KFR27, KFR101, KFR102A, KFR102B, KFR103, KFR104, and KFR105). The purpose of this work is to develop a preliminary hydrogeological Discrete Fracture Network model (hydro-DFN) parameterisation that can be applied in regional-scale modelling. During this work, the Geologic model had not yet been updated for the new data set. Therefore, all analyses were made to the rock mass outside Possible Deformation Zones, according to Single Hole Interpretation. Owing to this circumstance, it was decided not to perform a complete hydro-DFN calibration at this stage. Instead focus was re-directed to preparatory test cases and conceptual questions with the aim to provide a sound strategy for developing the hydrogeological model SFR v. 1.0. The presented preliminary hydro-DFN consists of five fracture sets and three depth domains. A statistical/geometrical approach (connectivity analysis /Follin et al. 2005/) was performed to estimate the size (i.e. fracture radius) distribution of fractures that are interpreted as Open in geologic mapping of core data. Transmissivity relations were established based on an assumption of a correlation between the size and evaluated specific capacity of geologic features coupled to inflows measured by the Posiva Flow Log device (PFL-f data). The preliminary hydro-DFN was applied in flow simulations in order to test its performance and to explore the role of PFL-f data. Several insights were gained and a few model technical issues were raised. These are summarised in Table 5-1

  7. Solid waste projection model: Database user's guide (Version 1.0)

    International Nuclear Information System (INIS)

    Carr, F.; Stiles, D.

    1991-01-01

    The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC) specifically to address Hanford solid waste management issues. This document is one of a set of documents supporting the SWPM system and providing instructions in the use and maintenance of SWPM components. This manual contains instructions for preparing to use Version 1 of the SWPM database, for entering and maintaining data, and for performing routine database functions. This document supports only those operations which are specific to SWPM database menus and functions, and does not provide instructions in the use of Paradox, the database management system in which the SWPM database is established. 3 figs., 1 tab

  8. Solid Waste Projection Model: Database user's guide (Version 1.3)

    International Nuclear Information System (INIS)

    Blackburn, C.L.

    1991-11-01

    The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC) specifically to address Hanford solid waste management issues. This document is one of a set of documents supporting the SWPM system and providing instructions in the use and maintenance of SWPM components. This manual contains instructions for preparing to use Version 1.3 of the SWPM database, for entering and maintaining data, and for performing routine database functions. This document supports only those operations which are specific to SWPM database menus and functions and does not provide instruction in the use of Paradox, the database management system in which the SWPM database is established

  9. The global aerosol-climate model ECHAM-HAM, version 2: sensitivity to improvements in process representations

    Directory of Open Access Journals (Sweden)

    K. Zhang

    2012-10-01

    Full Text Available This paper introduces and evaluates the second version of the global aerosol-climate model ECHAM-HAM. Major changes have been brought into the model, including new parameterizations for aerosol nucleation and water uptake, an explicit treatment of secondary organic aerosols, modified emission calculations for sea salt and mineral dust, the coupling of aerosol microphysics to a two-moment stratiform cloud microphysics scheme, and alternative wet scavenging parameterizations. These revisions extend the model's capability to represent details of the aerosol lifecycle and its interaction with climate. Nudged simulations of the year 2000 are carried out to compare the aerosol properties and global distribution in HAM1 and HAM2, and to evaluate them against various observations. Sensitivity experiments are performed to help identify the impact of each individual update in model formulation.

    Results indicate that from HAM1 to HAM2 there is a marked weakening of aerosol water uptake in the lower troposphere, reducing the total aerosol water burden from 75 Tg to 51 Tg. The main reason is the newly introduced κ-Köhler-theory-based water uptake scheme uses a lower value for the maximum relative humidity cutoff. Particulate organic matter loading in HAM2 is considerably higher in the upper troposphere, because the explicit treatment of secondary organic aerosols allows highly volatile oxidation products of the precursors to be vertically transported to regions of very low temperature and to form aerosols there. Sulfate, black carbon, particulate organic matter and mineral dust in HAM2 have longer lifetimes than in HAM1 because of weaker in-cloud scavenging, which is in turn related to lower autoconversion efficiency in the newly introduced two-moment cloud microphysics scheme. Modification in the sea salt emission scheme causes a significant increase in the ratio (from 1.6 to 7.7 between accumulation mode and coarse mode emission fluxes of

  10. Description of the new version 4.0 of the tritium model UFOTRI including user guide

    International Nuclear Information System (INIS)

    Raskob, W.

    1993-08-01

    In view of the future operation of fusion reactors the release of tritium may play a dominant role during normal operation as well as after accidents. Because of its physical and chemical properties which differ significantly from those of other radionuclides, the model UFOTRI for assessing the radiological consequences of accidental tritium releases has been developed. It describes the behaviour of tritium in the biosphere and calculates the radiological impact on individuals and the population due to the direct exposure and by the ingestion pathways. Processes such as the conversion of tritium gas into tritiated water (HTO) in the soil, re-emission after deposition and the conversion of HTO into organically bound tritium, are considered. The use of UFOTRI in its probabilistic mode shows the spectrum of the radiological impact together with the associated probability of occurrence. A first model version was established in 1991. As the ongoing work on investigating the main processes of the tritium behaviour in the environment shows up new results, the model has been improved in several points. The report describes the changes incorporated into the model since 1991. Additionally provides the up-dated user guide for handling the revised UFOTRI version which will be distributed to interested organizations. (orig.) [de

  11. Preliminary site description. Simpevarp area - version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    Winberg, Anders [ed.

    2004-08-01

    Site characterisation in the Oskarshamn area is currently conducted at two adjoining localities, the Simpevarp and Laxemar subareas. This report presents the interim version (model version Simpevarp 1.1 of S1.1 for short) of the preliminary Site Descriptive Model for the Simpevarp subarea. The basis for this interim version is quality-assured, geoscientific and ecological field data from the Simpevarp subarea (and in part from the Laxemar area) available in the SKB SICADA and GIS data bases as of July 1, 2003 as well as version 0 of the Site Descriptive Model. The new data collected during the initial site investigation phase up till the date of data freeze S1.1 constitute the basis for the update of version 0 to version S1.1. These data include results from surface investigations in the subarea with its regional environment and from drillings and investigations in boreholes. The surface-based data sets were, in a relative sense, extensive compared with data sets from boreholes, were the information largely was limited to information from one c. 1,000 m deep cored borehole (KSH01A), two existing cored boreholes and three c. 200 m deep percussion-drilled boreholes. Discipline-specific models are developed for the selected regional and local model volumes and these models are subsequently integrated into a unified site description. The current methodologies for developing discipline-specific models and their integration are documented in methodology/ strategy reports. In the present work, the procedures and guidelines given in those reports were followed to the extent possible given the data and information available at the time of data freeze for model version S1.1. Compared with version 0 there are considerable additional features in the version S1.1, especially in the geological description and in the description of the near surface. The geological models of lithology and deformation zones are based on borehole information and surface data of much higher

  12. Result Summary for the Area 5 Radioactive Waste Management Site Performance Assessment Model Version 4.110

    International Nuclear Information System (INIS)

    2011-01-01

    Results for Version 4.110 of the Area 5 Radioactive Waste Management Site (RWMS) performance assessment (PA) model are summarized. Version 4.110 includes the fiscal year (FY) 2010 inventory estimate, including a future inventory estimate. Version 4.110 was implemented in GoldSim 10.11(SP4). The following changes have been implemented since the last baseline model, Version 4.105: (1) Updated the inventory and disposal unit configurations with data through the end of FY 2010. (1) Implemented Federal Guidance Report 13 Supplemental CD dose conversion factors (U.S. Environmental Protection Agency, 1999). Version 4.110 PA results comply with air pathway and all-pathways annual total effective dose (TED) performance objectives (Tables 2 and 3, Figures 1 and 2). Air pathways results decrease moderately for all scenarios. The time of the maximum for the air pathway open rangeland scenario shifts from 1,000 to 100 years (y). All-pathways annual TED increases for all scenarios except the resident scenario. The maximum member of public all-pathways dose occurs at 1,000 y for the resident farmer scenario. The resident farmer dose was predominantly due to technetium-99 (Tc-99) (82 percent) and lead-210 (Pb-210) (13 percent). Pb-210 present at 1,000 y is produced predominantly by radioactive decay of uranium-234 (U-234) present at the time of disposal. All results for the postdrilling and intruder-agriculture scenarios comply with the performance objectives (Tables 4 and 5, Figures 3 and 4). The postdrilling intruder results are similar to Version 4.105 results. The intruder-agriculture results are similar to Version 4.105, except for the Pit 6 Radium Disposal Unit (RaDU). The intruder-agriculture result for the Shallow Land Burial (SLB) disposal units is a significant fraction of the performance objective and exceeds the performance objective at the 95th percentile. The intruder-agriculture dose is due predominantly to Tc-99 (75 percent) and U-238 (9.5 percent). The acute

  13. Immersion freezing by natural dust based on a soccer ball model with the Community Atmospheric Model version 5: climate effects

    Science.gov (United States)

    Wang, Yong; Liu, Xiaohong

    2014-12-01

    We introduce a simplified version of the soccer ball model (SBM) developed by Niedermeier et al (2014 Geophys. Res. Lett. 41 736-741) into the Community Atmospheric Model version 5 (CAM5). It is the first time that SBM is used in an atmospheric model to parameterize the heterogeneous ice nucleation. The SBM, which was simplified for its suitable application in atmospheric models, uses the classical nucleation theory to describe the immersion/condensation freezing by dust in the mixed-phase cloud regime. Uncertain parameters (mean contact angle, standard deviation of contact angle probability distribution, and number of surface sites) in the SBM are constrained by fitting them to recent natural dust (Saharan dust) datasets. With the SBM in CAM5, we investigate the sensitivity of modeled cloud properties to the SBM parameters, and find significant seasonal and regional differences in the sensitivity among the three SBM parameters. Changes of mean contact angle and the number of surface sites lead to changes of cloud properties in Arctic in spring, which could be attributed to the transport of dust ice nuclei to this region. In winter, significant changes of cloud properties induced by these two parameters mainly occur in northern hemispheric mid-latitudes (e.g., East Asia). In comparison, no obvious changes of cloud properties caused by changes of standard deviation can be found in all the seasons. These results are valuable for understanding the heterogeneous ice nucleation behavior, and useful for guiding the future model developments.

  14. Immersion freezing by natural dust based on a soccer ball model with the Community Atmospheric Model version 5: climate effects

    International Nuclear Information System (INIS)

    Wang, Yong; Liu, Xiaohong

    2014-01-01

    We introduce a simplified version of the soccer ball model (SBM) developed by Niedermeier et al (2014 Geophys. Res. Lett. 41 736–741) into the Community Atmospheric Model version 5 (CAM5). It is the first time that SBM is used in an atmospheric model to parameterize the heterogeneous ice nucleation. The SBM, which was simplified for its suitable application in atmospheric models, uses the classical nucleation theory to describe the immersion/condensation freezing by dust in the mixed-phase cloud regime. Uncertain parameters (mean contact angle, standard deviation of contact angle probability distribution, and number of surface sites) in the SBM are constrained by fitting them to recent natural dust (Saharan dust) datasets. With the SBM in CAM5, we investigate the sensitivity of modeled cloud properties to the SBM parameters, and find significant seasonal and regional differences in the sensitivity among the three SBM parameters. Changes of mean contact angle and the number of surface sites lead to changes of cloud properties in Arctic in spring, which could be attributed to the transport of dust ice nuclei to this region. In winter, significant changes of cloud properties induced by these two parameters mainly occur in northern hemispheric mid-latitudes (e.g., East Asia). In comparison, no obvious changes of cloud properties caused by changes of standard deviation can be found in all the seasons. These results are valuable for understanding the heterogeneous ice nucleation behavior, and useful for guiding the future model developments. (letter)

  15. A multi-sectoral version of the Post-Keynesian growth model

    Directory of Open Access Journals (Sweden)

    Ricardo Azevedo Araujo

    2015-03-01

    Full Text Available Abstract With this inquiry, we seek to develop a disaggregated version of the post-Keynesian approach to economic growth, by showing that indeed it can be treated as a particular case of the Pasinettian model of structural change and economic expansion. By relying upon vertical integration it becomes possible to carry out the analysis initiated by Kaldor (1956 and Robinson (1956, 1962, and followed by Dutt (1984, Rowthorn (1982 and later Bhaduri and Marglin (1990 in a multi-sectoral model in which demand and productivity increase at different paces in each sector. By adopting this approach it is possible to show that the structural economic dynamics is conditioned not only to patterns of evolving demand and diffusion of technological progress but also to the distributive features of the economy, which can give rise to different regimes of economic growth. Besides, we find it possible to determine the natural rate of profit that makes the mark-up rate to be constant over time.

  16. Temperature and Humidity Profiles in the TqJoint Data Group of AIRS Version 6 Product for the Climate Model Evaluation

    Science.gov (United States)

    Ding, Feng; Fang, Fan; Hearty, Thomas J.; Theobald, Michael; Vollmer, Bruce; Lynnes, Christopher

    2014-01-01

    The Atmospheric Infrared Sounder (AIRS) mission is entering its 13th year of global observations of the atmospheric state, including temperature and humidity profiles, outgoing long-wave radiation, cloud properties, and trace gases. Thus AIRS data have been widely used, among other things, for short-term climate research and observational component for model evaluation. One instance is the fifth phase of the Coupled Model Intercomparison Project (CMIP5) which uses AIRS version 5 data in the climate model evaluation. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is the home of processing, archiving, and distribution services for data from the AIRS mission. The GES DISC, in collaboration with the AIRS Project, released data from the version 6 algorithm in early 2013. The new algorithm represents a significant improvement over previous versions in terms of greater stability, yield, and quality of products. The ongoing Earth System Grid for next generation climate model research project, a collaborative effort of GES DISC and NASA JPL, will bring temperature and humidity profiles from AIRS version 6. The AIRS version 6 product adds a new "TqJoint" data group, which contains data for a common set of observations across water vapor and temperature at all atmospheric levels and is suitable for climate process studies. How different may the monthly temperature and humidity profiles in "TqJoint" group be from the "Standard" group where temperature and water vapor are not always valid at the same time? This study aims to answer the question by comprehensively comparing the temperature and humidity profiles from the "TqJoint" group and the "Standard" group. The comparison includes mean differences at different levels globally and over land and ocean. We are also working on examining the sampling differences between the "TqJoint" and "Standard" group using MERRA data.

  17. Cellular Automata Modelling of Photo-Induced Oxidation Processes in Molecularly Doped Polymers

    Directory of Open Access Journals (Sweden)

    David M. Goldie

    2016-11-01

    Full Text Available The possibility of employing cellular automata (CA to model photo-induced oxidation processes in molecularly doped polymers is explored. It is demonstrated that the oxidation dynamics generated using CA models exhibit stretched-exponential behavior. This dynamical characteristic is in general agreement with an alternative analysis conducted using standard rate equations provided the molecular doping levels are sufficiently low to prohibit the presence of safe-sites which are impenetrable to dissolved oxygen. The CA models therefore offer the advantage of exploring the effect of dopant agglomeration which is difficult to assess from standard rate equation solutions. The influence of UV-induced bleaching or darkening upon the resulting oxidation dynamics may also be easily incorporated into the CA models and these optical effects are investigated for various photo-oxidation product scenarios. Output from the CA models is evaluated for experimental photo-oxidation data obtained from a series of hydrazone-doped polymers.

  18. Unified computational model of transport in metal-insulating oxide-metal systems

    Science.gov (United States)

    Tierney, B. D.; Hjalmarson, H. P.; Jacobs-Gedrim, R. B.; Agarwal, Sapan; James, C. D.; Marinella, M. J.

    2018-04-01

    A unified physics-based model of electron transport in metal-insulator-metal (MIM) systems is presented. In this model, transport through metal-oxide interfaces occurs by electron tunneling between the metal electrodes and oxide defect states. Transport in the oxide bulk is dominated by hopping, modeled as a series of tunneling events that alter the electron occupancy of defect states. Electron transport in the oxide conduction band is treated by the drift-diffusion formalism and defect chemistry reactions link all the various transport mechanisms. It is shown that the current-limiting effect of the interface band offsets is a function of the defect vacancy concentration. These results provide insight into the underlying physical mechanisms of leakage currents in oxide-based capacitors and steady-state electron transport in resistive random access memory (ReRAM) MIM devices. Finally, an explanation of ReRAM bipolar switching behavior based on these results is proposed.

  19. Assessment of radionuclide databases in CAP88 mainframe version 1.0 and Windows-based version 3.0.

    Science.gov (United States)

    LaBone, Elizabeth D; Farfán, Eduardo B; Lee, Patricia L; Jannik, G Timothy; Donnelly, Elizabeth H; Foley, Trevor Q

    2009-09-01

    In this study the radionuclide databases for two versions of the Clean Air Act Assessment Package-1988 (CAP88) computer model were assessed in detail. CAP88 estimates radiation dose and the risk of health effects to human populations from radionuclide emissions to air. This program is used by several U.S. Department of Energy (DOE) facilities to comply with National Emission Standards for Hazardous Air Pollutants regulations. CAP88 Mainframe, referred to as version 1.0 on the U.S. Environmental Protection Agency Web site (http://www.epa.gov/radiation/assessment/CAP88/), was the very first CAP88 version released in 1988. Some DOE facilities including the Savannah River Site still employ this version (1.0) while others use the more user-friendly personal computer Windows-based version 3.0 released in December 2007. Version 1.0 uses the program RADRISK based on International Commission on Radiological Protection Publication 30 as its radionuclide database. Version 3.0 uses half-life, dose, and risk factor values based on Federal Guidance Report 13. Differences in these values could cause different results for the same input exposure data (same scenario), depending on which version of CAP88 is used. Consequently, the differences between the two versions are being assessed in detail at Savannah River National Laboratory. The version 1.0 and 3.0 database files contain 496 and 838 radionuclides, respectively, and though one would expect the newer version to include all the 496 radionuclides, 35 radionuclides are listed in version 1.0 that are not included in version 3.0. The majority of these has either extremely short or long half-lives or is no longer in production; however, some of the short-lived radionuclides might produce progeny of great interest at DOE sites. In addition, 122 radionuclides were found to have different half-lives in the two versions, with 21 over 3 percent different and 12 over 10 percent different.

  20. Cladding oxidation during air ingress. Part II: Synthesis of modelling results

    International Nuclear Information System (INIS)

    Beuzet, E.; Haurais, F.; Bals, C.; Coindreau, O.; Fernandez-Moguel, L.; Vasiliev, A.; Park, S.

    2016-01-01

    Highlights: • A state-of-the-art for air oxidation modelling in the frame of severe accident is done. • Air oxidation models from main severe accident codes are detailed. • Simulations from main severe accident codes are compared against experimental results. • Perspectives in terms of need for further model development and experiments are given. - Abstract: Air ingress is a potential risk in some low probable situations of severe accidents in a nuclear power plant. Air is a highly oxidizing atmosphere that can lead to an enhanced Zr-based cladding oxidation and core degradation affecting the release of fission products. This is particularly true speaking about ruthenium release, due to its high radiotoxicity and its ability to form highly volatile oxides in a significant manner in presence of air. The oxygen affinity is decreasing from the Zircaloy cladding, fuel and ruthenium inclusions. It is consequently of great need to understand the phenomena governing cladding oxidation by air as a prerequisite for the source term issues in such scenarios. In the past years, many works have been done on cladding oxidation by air under severe accident conditions. This paper with in addition the paper “Cladding oxidation during air ingress – Part I: Synthesis of experimental results” of this journal issue aim at assessing the state of the art on this phenomenon. In this paper, the modelling of air ingress phenomena in the main severe accident codes (ASTEC, ATHLET-CD, MAAP, MELCOR, RELAP/SCDAPSIM, SOCRAT) is described in details, as well as the validation against the integral experiments QUENCH-10, QUENCH-16 and PARAMETER-SF4. A full review of cladding oxidation by air is thus established.

  1. Modelling of oxidation and hydriding behaviour of Zircaloy-2 pressure tubes in PHWR

    International Nuclear Information System (INIS)

    Sah, D.N.; Sunil Kumar; Khan, K.B.

    2002-01-01

    A computer model named DOCTOR (Deuteriding of Coolant Tubes during Operation of Reactor) has been developed for predicting the axial profile of oxide thickness and hydrogen (Deuterium) concentration in PHWR pressure tubes. This model is applicable to single channel or full core analysis. The main source of hydrogen is considered to be oxidation of pressure tube on the i.d. surface by high temperature coolant water. Three stages of oxidation is considered namely, pre- transition, post transition and accelerated. Oxidation rate is considered to be dependent on channel power, axial power/flux distribution, coolant temperature and pre-existing oxide thickness at the location. The kinetics parameters for oxidation model are derived from the actual measurement of oxide thickness on a number of pressure tubes examined in PIE Division. The input data required for the model are: channel power, channel power factor, axial flux distribution, coolant inlet temperature, critical oxide thickness, hydrogen pick up fraction, initial hydrogen in the material and time of operation (efpy). The model calculates the oxide layer thickness on the inside surface of the pressure tube along the length. The amount of hydrogen picked up by the pressure tube is calculated from the oxide thickness using hydrogen pick up fraction determined from the PIE data. The pressure tube length is divided into a number of axial segments for calculation. The temperature and fast neutron flux assumed to be constant in a given segment. The axial temperature profile calculated from the axial power profile in the channel is used for calculating the oxidation rate at various locations in the pressure tube. The model has been validated with PIE data of hydrogen equivalent measurement on a number of irradiated Zircaloy-2 pressure tubes of various PHWRs. The performance of the model in predicting the axial profile of hydrogen in the pressure tubes has been found to be good. (author)

  2. Portuguese version of the PTSD Checklist-Military Version (PCL-M)-I: Confirmatory Factor Analysis and reliability.

    Science.gov (United States)

    Carvalho, Teresa; Cunha, Marina; Pinto-Gouveia, José; Duarte, Joana

    2015-03-30

    The PTSD Checklist-Military Version (PCL-M) is a brief self-report instrument widely used to assess Post-traumatic Stress Disorder (PTSD) symptomatology in war Veterans, according to DSM-IV. This study sought out to explore the factor structure and reliability of the Portuguese version of the PCL-M. A sample of 660 Portuguese Colonial War Veterans completed the PCL-M. Several Confirmatory Factor Analyses were conducted to test different structures for PCL-M PTSD symptoms. Although the respecified first-order four-factor model based on King et al.'s model showed the best fit to the data, the respecified first and second-order models based on the DSM-IV symptom clusters also presented an acceptable fit. In addition, the PCL-M showed adequate reliability. The Portuguese version of the PCL-M is thus a valid and reliable measure to assess the severity of PTSD symptoms as described in DSM-IV. Its use with Portuguese Colonial War Veterans may ease screening of possible PTSD cases, promote more suitable treatment planning, and enable monitoring of therapeutic outcomes. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  3. UNSAT-H Version 3.0: Unsaturated Soil Water and Heat Flow Model Theory, User Manual, and Examples

    International Nuclear Information System (INIS)

    Fayer, M.J.

    2000-01-01

    The UNSAT-H model was developed at Pacific Northwest National Laboratory (PNNL) to assess the water dynamics of arid sites and, in particular, estimate recharge fluxes for scenarios pertinent to waste disposal facilities. During the last 4 years, the UNSAT-H model received support from the Immobilized Waste Program (IWP) of the Hanford Site's River Protection Project. This program is designing and assessing the performance of on-site disposal facilities to receive radioactive wastes that are currently stored in single- and double-shell tanks at the Hanford Site (LMHC 1999). The IWP is interested in estimates of recharge rates for current conditions and long-term scenarios involving the vadose zone disposal of tank wastes. Simulation modeling with UNSAT-H is one of the methods being used to provide those estimates (e.g., Rockhold et al. 1995; Fayer et al. 1999). To achieve the above goals for assessing water dynamics and estimating recharge rates, the UNSAT-H model addresses soil water infiltration, redistribution, evaporation, plant transpiration, deep drainage, and soil heat flow as one-dimensional processes. The UNSAT-H model simulates liquid water flow using Richards' equation (Richards 1931), water vapor diffusion using Fick's law, and sensible heat flow using the Fourier equation. This report documents UNSAT-H .Version 3.0. The report includes the bases for the conceptual model and its numerical implementation, benchmark test cases, example simulations involving layered soils and plants, and the code manual. Version 3.0 is an, enhanced-capability update of UNSAT-H Version 2.0 (Fayer and Jones 1990). New features include hysteresis, an iterative solution of head and temperature, an energy balance check, the modified Picard solution technique, additional hydraulic functions, multiple-year simulation capability, and general enhancements

  4. Oxide-supported metal clusters: models for heterogeneous catalysts

    International Nuclear Information System (INIS)

    Santra, A K; Goodman, D W

    2003-01-01

    Understanding the size-dependent electronic, structural and chemical properties of metal clusters on oxide supports is an important aspect of heterogeneous catalysis. Recently model oxide-supported metal catalysts have been prepared by vapour deposition of catalytically relevant metals onto ultra-thin oxide films grown on a refractory metal substrate. Reactivity and spectroscopic/microscopic studies have shown that these ultra-thin oxide films are excellent models for the corresponding bulk oxides, yet are sufficiently electrically conductive for use with various modern surface probes including scanning tunnelling microscopy (STM). Measurements on metal clusters have revealed a metal to nonmetal transition as well as changes in the crystal and electronic structures (including lattice parameters, band width, band splitting and core-level binding energy shifts) as a function of cluster size. Size-dependent catalytic reactivity studies have been carried out for several important reactions, and time-dependent catalytic deactivation has been shown to arise from sintering of metal particles under elevated gas pressures and/or reactor temperatures. In situ STM methodologies have been developed to follow the growth and sintering kinetics on a cluster-by-cluster basis. Although several critical issues have been addressed by several groups worldwide, much more remains to be done. This article highlights some of these accomplishments and summarizes the challenges that lie ahead. (topical review)

  5. Landfill Gas Energy Cost Model Version 3.0 (LFGcost-Web V3 ...

    Science.gov (United States)

    To help stakeholders estimate the costs of a landfill gas (LFG) energy project, in 2002, LMOP developed a cost tool (LFGcost). Since then, LMOP has routinely updated the tool to reflect changes in the LFG energy industry. Initially the model was designed for EPA to assist landfills in evaluating the economic and financial feasibility of LFG energy project development. In 2014, LMOP developed a public version of the model, LFGcost-Web (Version 3.0), to allow landfill and industry stakeholders to evaluate project feasibility on their own. LFGcost-Web can analyze costs for 12 energy recovery project types. These project costs can be estimated with or without the costs of a gas collection and control system (GCCS). The EPA used select equations from LFGcost-Web to estimate costs of the regulatory options in the 2015 proposed revisions to the MSW Landfills Standards of Performance (also known as New Source Performance Standards) and the Emission Guidelines (herein thereafter referred to collectively as the Landfill Rules). More specifically, equations derived from LFGcost-Web were applied to each landfill expected to be impacted by the Landfill Rules to estimate annualized installed capital costs and annual O&M costs of a gas collection and control system. In addition, after applying the LFGcost-Web equations to the list of landfills expected to require a GCCS in year 2025 as a result of the proposed Landfill Rules, the regulatory analysis evaluated whether electr

  6. Numerical modelling of emissions of nitrogen oxides in solid fuel combustion.

    Science.gov (United States)

    Bešenić, Tibor; Mikulčić, Hrvoje; Vujanović, Milan; Duić, Neven

    2018-06-01

    Among the combustion products, nitrogen oxides are one of the main contributors to a negative impact on the environment, participating in harmful processes such as tropospheric ozone and acid rains production. The main source of emissions of nitrogen oxides is the human combustion of fossil fuels. Their formation models are investigated and implemented with the goal of obtaining a tool for studying the nitrogen-containing pollutant production. In this work, numerical simulation of solid fuel combustion was carried out on a three-dimensional model of a drop tube furnace by using the commercial software FIRE. It was used for simulating turbulent fluid flow and temperature field, concentrations of the reactants and products, as well as the fluid-particles interaction by numerically solving the integro-differential equations describing these processes. Chemical reactions mechanisms for the formation of nitrogen oxides were implemented by the user functions. To achieve reasonable calculation times for running the simulations, as well as efficient coupling with the turbulent mixing process, the nitrogen scheme is limited to sufficiently few homogeneous reactions and species. Turbulent fluctuations that affect the reaction rates of nitrogen oxides' concentration are modelled by probability density function approach. Results of the implemented model for nitrogen oxides' formation from coal and biomass are compared to the experimental data. Temperature, burnout and nitrogen oxides' concentration profiles are compared, showing satisfactory agreement. The new model allows the simulation of pollutant formation in the real-world applications. Copyright © 2018 Elsevier Ltd. All rights reserved.

  7. A kinetic model of municipal sludge degradation during non-catalytic wet oxidation.

    Science.gov (United States)

    Prince-Pike, Arrian; Wilson, David I; Baroutian, Saeid; Andrews, John; Gapes, Daniel J

    2015-12-15

    Wet oxidation is a successful process for the treatment of municipal sludge. In addition, the resulting effluent from wet oxidation is a useful carbon source for subsequent biological nutrient removal processes in wastewater treatment. Owing to limitations with current kinetic models, this study produced a kinetic model which predicts the concentrations of key intermediate components during wet oxidation. The model was regressed from lab-scale experiments and then subsequently validated using data from a wet oxidation pilot plant. The model was shown to be accurate in predicting the concentrations of each component, and produced good results when applied to a plant 500 times larger in size. A statistical study was undertaken to investigate the validity of the regressed model parameters. Finally the usefulness of the model was demonstrated by suggesting optimum operating conditions such that volatile fatty acids were maximised. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Dynamic Computation of Change Operations in Version Management of Business Process Models

    Science.gov (United States)

    Küster, Jochen Malte; Gerth, Christian; Engels, Gregor

    Version management of business process models requires that changes can be resolved by applying change operations. In order to give a user maximal freedom concerning the application order of change operations, position parameters of change operations must be computed dynamically during change resolution. In such an approach, change operations with computed position parameters must be applicable on the model and dependencies and conflicts of change operations must be taken into account because otherwise invalid models can be constructed. In this paper, we study the concept of partially specified change operations where parameters are computed dynamically. We provide a formalization for partially specified change operations using graph transformation and provide a concept for their applicability. Based on this, we study potential dependencies and conflicts of change operations and show how these can be taken into account within change resolution. Using our approach, a user can resolve changes of business process models without being unnecessarily restricted to a certain order.

  9. GARUSO - Version 1.0. Uncertainty model for multipath ultrasonic transit time gas flow meters

    Energy Technology Data Exchange (ETDEWEB)

    Lunde, Per; Froeysa, Kjell-Eivind; Vestrheim, Magne

    1997-09-01

    This report describes an uncertainty model for ultrasonic transit time gas flow meters configured with parallel chords, and a PC program, GARUSO Version 1.0, implemented for calculation of the meter`s relative expanded uncertainty. The program, which is based on the theoretical uncertainty model, is used to carry out a simplified and limited uncertainty analysis for a 12`` 4-path meter, where examples of input and output uncertainties are given. The model predicts a relative expanded uncertainty for the meter at a level which further justifies today`s increasing tendency to use this type of instruments for fiscal metering of natural gas. 52 refs., 15 figs., 11 tabs.

  10. Quantification of oxide particle composition in model oxide dispersion strengthened steel alloys

    Energy Technology Data Exchange (ETDEWEB)

    London, A.J., E-mail: andrew.london@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Lozano-Perez, S.; Moody, M.P. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Amirthapandian, S.; Panigrahi, B.K.; Sundar, C.S. [Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, TN (India); Grovenor, C.R.M. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom)

    2015-12-15

    Oxide dispersion strengthened ferritic steels (ODS) are being considered for structural components of future designs of fission and fusion reactors because of their impressive high-temperature mechanical properties and resistance to radiation damage, both of which arise from the nanoscale oxide particles they contain. Because of the critical importance of these nanoscale phases, significant research activity has been dedicated to analysing their precise size, shape and composition (Odette et al., Annu. Rev. Mater. Res. 38 (2008) 471–503 [1]; Miller et al., Mater. Sci. Technol. 29(10) (2013) 1174–1178 [2]). As part of a project to develop new fuel cladding alloys in India, model ODS alloys have been produced with the compositions, Fe–0.3Y{sub 2}O{sub 3}, Fe–0.2Ti–0.3Y{sub 2}O{sub 3} and Fe–14Cr–0.2Ti–0.3Y{sub 2}O{sub 3}. The oxide particles in these three model alloys have been studied by APT in their as-received state and following ion irradiation (as a proxy for neutron irradiation) at various temperatures. In order to adequately quantify the composition of the oxide clusters, several difficulties must be managed, including issues relating to the chemical identification (ranging and variable peak-overlaps); trajectory aberrations and chemical structure; and particle sizing. This paper presents how these issues can be addressed by the application of bespoke data analysis tools and correlative microscopy. A discussion follows concerning the achievable precision in these measurements, with reference to the fundamental limiting factors.

  11. Quantification of oxide particle composition in model oxide dispersion strengthened steel alloys.

    Science.gov (United States)

    London, A J; Lozano-Perez, S; Moody, M P; Amirthapandian, S; Panigrahi, B K; Sundar, C S; Grovenor, C R M

    2015-12-01

    Oxide dispersion strengthened ferritic steels (ODS) are being considered for structural components of future designs of fission and fusion reactors because of their impressive high-temperature mechanical properties and resistance to radiation damage, both of which arise from the nanoscale oxide particles they contain. Because of the critical importance of these nanoscale phases, significant research activity has been dedicated to analysing their precise size, shape and composition (Odette et al., Annu. Rev. Mater. Res. 38 (2008) 471-503 [1]; Miller et al., Mater. Sci. Technol. 29(10) (2013) 1174-1178 [2]). As part of a project to develop new fuel cladding alloys in India, model ODS alloys have been produced with the compositions, Fe-0.3Y2O3, Fe-0.2Ti-0.3Y2O3 and Fe-14Cr-0.2Ti-0.3Y2O3. The oxide particles in these three model alloys have been studied by APT in their as-received state and following ion irradiation (as a proxy for neutron irradiation) at various temperatures. In order to adequately quantify the composition of the oxide clusters, several difficulties must be managed, including issues relating to the chemical identification (ranging and variable peak-overlaps); trajectory aberrations and chemical structure; and particle sizing. This paper presents how these issues can be addressed by the application of bespoke data analysis tools and correlative microscopy. A discussion follows concerning the achievable precision in these measurements, with reference to the fundamental limiting factors. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Validation of MCNP6 Version 1.0 with the ENDF/B-VII.1 Cross Section Library for Plutonium Metals, Oxides, and Solutions on the High Performance Computing Platform Moonlight

    Energy Technology Data Exchange (ETDEWEB)

    Chapman, Bryan Scott [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Gough, Sean T. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-12-05

    This report documents a validation of the MCNP6 Version 1.0 computer code on the high performance computing platform Moonlight, for operations at Los Alamos National Laboratory (LANL) that involve plutonium metals, oxides, and solutions. The validation is conducted using the ENDF/B-VII.1 continuous energy group cross section library at room temperature. The results are for use by nuclear criticality safety personnel in performing analysis and evaluation of various facility activities involving plutonium materials.

  13. Mediator oxidation systems in organic electrosynthesis

    International Nuclear Information System (INIS)

    Ogibin, Yurii N; Elinson, Michail N; Nikishin, Gennady I

    2009-01-01

    The data on the use of mediator oxidation systems activated by electric current (anodic or parallel anodic and cathodic) in organic electrosynthesis are considered and generalised. Electrochemical activation of these systems permits successful application of catalytic versions and easy scaling of mediator-promoted processes. Chemical and environmental advantages of electrochemical processes catalysed by mediator oxidation systems are demonstrated. Examples of the application of organic and inorganic mediators for the oxidation of various classes of organic compounds under conditions of electrolysis are given.

  14. 78 FR 32224 - Availability of Version 3.1.2 of the Connect America Fund Phase II Cost Model; Additional...

    Science.gov (United States)

    2013-05-29

    ... Version 3.1.2 of the Connect America Fund Phase II Cost Model; Additional Discussion Topics in Connect America Cost Model Virtual Workshop AGENCY: Federal Communications Commission. ACTION: Proposed rule... America Cost Model (CAM v3.1.2), which allows Commission staff and interested parties to calculate costs...

  15. Preliminary site description. Simpevarp area - version 1.1

    International Nuclear Information System (INIS)

    Winberg, Anders

    2004-08-01

    Site characterisation in the Oskarshamn area is currently conducted at two adjoining localities, the Simpevarp and Laxemar subareas. This report presents the interim version (model version Simpevarp 1.1 of S1.1 for short) of the preliminary Site Descriptive Model for the Simpevarp subarea. The basis for this interim version is quality-assured, geoscientific and ecological field data from the Simpevarp subarea (and in part from the Laxemar area) available in the SKB SICADA and GIS data bases as of July 1, 2003 as well as version 0 of the Site Descriptive Model. The new data collected during the initial site investigation phase up till the date of data freeze S1.1 constitute the basis for the update of version 0 to version S1.1. These data include results from surface investigations in the subarea with its regional environment and from drillings and investigations in boreholes. The surface-based data sets were, in a relative sense, extensive compared with data sets from boreholes, were the information largely was limited to information from one c. 1,000 m deep cored borehole (KSH01A), two existing cored boreholes and three c. 200 m deep percussion-drilled boreholes. Discipline-specific models are developed for the selected regional and local model volumes and these models are subsequently integrated into a unified site description. The current methodologies for developing discipline-specific models and their integration are documented in methodology/ strategy reports. In the present work, the procedures and guidelines given in those reports were followed to the extent possible given the data and information available at the time of data freeze for model version S1.1. Compared with version 0 there are considerable additional features in the version S1.1, especially in the geological description and in the description of the near surface. The geological models of lithology and deformation zones are based on borehole information and surface data of much higher

  16. The modified version of the centre-of-mass correction to the bag model

    International Nuclear Information System (INIS)

    Bartelski, J.; Tatur, S.

    1986-01-01

    We propose the improvement of the recently considered version of the centre-of-mass correction to the bag model. We identify a nucleon bag with physical nucleon confined in an external fictitious spherical well potential with an additional external fictitious pressure characterized by the parameter b. The introduction of such a pressure restores the conservation of the canonical energy-momentum tensor, which was lost in the former model. We propose several methods to determine the numerical value of b. We calculate the Roper resonance mass as well as static electroweak parameters of a nucleon with centre-of-mass corrections taken into account. 7 refs., 1 tab. (author)

  17. Accounting for observation uncertainties in an evaluation metric of low latitude turbulent air-sea fluxes: application to the comparison of a suite of IPSL model versions

    Science.gov (United States)

    Servonnat, Jérôme; Găinuşă-Bogdan, Alina; Braconnot, Pascale

    2017-09-01

    Turbulent momentum and heat (sensible heat and latent heat) fluxes at the air-sea interface are key components of the whole energetic of the Earth's climate. The evaluation of these fluxes in the climate models is still difficult because of the large uncertainties associated with the reference products. In this paper we present an objective metric accounting for reference uncertainties to evaluate the annual cycle of the low latitude turbulent fluxes of a suite of IPSL climate models. This metric consists in a Hotelling T 2 test between the simulated and observed field in a reduce space characterized by the dominant modes of variability that are common to both the model and the reference, taking into account the observational uncertainty. The test is thus more severe when uncertainties are small as it is the case for sea surface temperature (SST). The results of the test show that for almost all variables and all model versions the model-reference differences are not zero. It is not possible to distinguish between model versions for sensible heat and meridional wind stress, certainly due to the large observational uncertainties. All model versions share similar biases for the different variables. There is no improvement between the reference versions of the IPSL model used for CMIP3 and CMIP5. The test also reveals that the higher horizontal resolution fails to improve the representation of the turbulent surface fluxes compared to the other versions. The representation of the fluxes is further degraded in a version with improved atmospheric physics with an amplification of some of the biases in the Indian Ocean and in the intertropical convergence zone. The ranking of the model versions for the turbulent fluxes is not correlated with the ranking found for SST. This highlights that despite the fact that SST gradients are important for the large-scale atmospheric circulation patterns, other factors such as wind speed, and air-sea temperature contrast play an

  18. Modeling the structure of the attitudes and belief scale 2 using CFA and bifactor approaches: Toward the development of an abbreviated version.

    Science.gov (United States)

    Hyland, Philip; Shevlin, Mark; Adamson, Gary; Boduszek, Daniel

    2014-01-01

    The Attitudes and Belief Scale-2 (ABS-2: DiGiuseppe, Leaf, Exner, & Robin, 1988. The development of a measure of rational/irrational thinking. Paper presented at the World Congress of Behavior Therapy, Edinburg, Scotland.) is a 72-item self-report measure of evaluative rational and irrational beliefs widely used in Rational Emotive Behavior Therapy research contexts. However, little psychometric evidence exists regarding the measure's underlying factor structure. Furthermore, given the length of the ABS-2 there is a need for an abbreviated version that can be administered when there are time demands on the researcher, such as in clinical settings. This study sought to examine a series of theoretical models hypothesized to represent the latent structure of the ABS-2 within an alternative models framework using traditional confirmatory factor analysis as well as utilizing a bifactor modeling approach. Furthermore, this study also sought to develop a psychometrically sound abbreviated version of the ABS-2. Three hundred and thirteen (N = 313) active emergency service personnel completed the ABS-2. Results indicated that for each model, the application of bifactor modeling procedures improved model fit statistics, and a novel eight-factor intercorrelated solution was identified as the best fitting model of the ABS-2. However, the observed fit indices failed to satisfy commonly accepted standards. A 24-item abbreviated version was thus constructed and an intercorrelated eight-factor solution yielded satisfactory model fit statistics. Current results support the use of a bifactor modeling approach to determining the factor structure of the ABS-2. Furthermore, results provide empirical support for the psychometric properties of the newly developed abbreviated version.

  19. Large-scale Modeling of Nitrous Oxide Production: Issues of Representing Spatial Heterogeneity

    Science.gov (United States)

    Morris, C. K.; Knighton, J.

    2017-12-01

    Nitrous oxide is produced from the biological processes of nitrification and denitrification in terrestrial environments and contributes to the greenhouse effect that warms Earth's climate. Large scale modeling can be used to determine how global rate of nitrous oxide production and consumption will shift under future climates. However, accurate modeling of nitrification and denitrification is made difficult by highly parameterized, nonlinear equations. Here we show that the representation of spatial heterogeneity in inputs, specifically soil moisture, causes inaccuracies in estimating the average nitrous oxide production in soils. We demonstrate that when soil moisture is averaged from a spatially heterogeneous surface, net nitrous oxide production is under predicted. We apply this general result in a test of a widely-used global land surface model, the Community Land Model v4.5. The challenges presented by nonlinear controls on nitrous oxide are highlighted here to provide a wider context to the problem of extraordinary denitrification losses in CLM. We hope that these findings will inform future researchers on the possibilities for model improvement of the global nitrogen cycle.

  20. Simplified kinetic models of methanol oxidation on silver

    DEFF Research Database (Denmark)

    Andreasen, A.; Lynggaard, H.; Stegelmann, C.

    2005-01-01

    Recently the authors developed a microkinetic model of methanol oxidation on silver [A. Andreasen, H. Lynggaard, C. Stegelmann, P. Stoltze, Surf. Sci. 544 (2003) 5-23]. The model successfully explains both surface science experiments and kinetic experiments at industrial conditions applying...

  1. CLIPS 6.0 - C LANGUAGE INTEGRATED PRODUCTION SYSTEM, VERSION 6.0 (UNIX VERSION)

    Science.gov (United States)

    Donnell, B.

    1994-01-01

    CLIPS, the C Language Integrated Production System, is a complete environment for developing expert systems -- programs which are specifically intended to model human expertise or knowledge. It is designed to allow artificial intelligence research, development, and delivery on conventional computers. CLIPS 6.0 provides a cohesive tool for handling a wide variety of knowledge with support for three different programming paradigms: rule-based, object-oriented, and procedural. Rule-based programming allows knowledge to be represented as heuristics, or "rules-of-thumb" which specify a set of actions to be performed for a given situation. Object-oriented programming allows complex systems to be modeled as modular components (which can be easily reused to model other systems or create new components). The procedural programming capabilities provided by CLIPS 6.0 allow CLIPS to represent knowledge in ways similar to those allowed in languages such as C, Pascal, Ada, and LISP. Using CLIPS 6.0, one can develop expert system software using only rule-based programming, only object-oriented programming, only procedural programming, or combinations of the three. CLIPS provides extensive features to support the rule-based programming paradigm including seven conflict resolution strategies, dynamic rule priorities, and truth maintenance. CLIPS 6.0 supports more complex nesting of conditional elements in the if portion of a rule ("and", "or", and "not" conditional elements can be placed within a "not" conditional element). In addition, there is no longer a limitation on the number of multifield slots that a deftemplate can contain. The CLIPS Object-Oriented Language (COOL) provides object-oriented programming capabilities. Features supported by COOL include classes with multiple inheritance, abstraction, encapsulation, polymorphism, dynamic binding, and message passing with message-handlers. CLIPS 6.0 supports tight integration of the rule-based programming features of CLIPS with

  2. CLIPS 6.0 - C LANGUAGE INTEGRATED PRODUCTION SYSTEM, VERSION 6.0 (MACINTOSH VERSION)

    Science.gov (United States)

    Riley, G.

    1994-01-01

    CLIPS, the C Language Integrated Production System, is a complete environment for developing expert systems -- programs which are specifically intended to model human expertise or knowledge. It is designed to allow artificial intelligence research, development, and delivery on conventional computers. CLIPS 6.0 provides a cohesive tool for handling a wide variety of knowledge with support for three different programming paradigms: rule-based, object-oriented, and procedural. Rule-based programming allows knowledge to be represented as heuristics, or "rules-of-thumb" which specify a set of actions to be performed for a given situation. Object-oriented programming allows complex systems to be modeled as modular components (which can be easily reused to model other systems or create new components). The procedural programming capabilities provided by CLIPS 6.0 allow CLIPS to represent knowledge in ways similar to those allowed in languages such as C, Pascal, Ada, and LISP. Using CLIPS 6.0, one can develop expert system software using only rule-based programming, only object-oriented programming, only procedural programming, or combinations of the three. CLIPS provides extensive features to support the rule-based programming paradigm including seven conflict resolution strategies, dynamic rule priorities, and truth maintenance. CLIPS 6.0 supports more complex nesting of conditional elements in the if portion of a rule ("and", "or", and "not" conditional elements can be placed within a "not" conditional element). In addition, there is no longer a limitation on the number of multifield slots that a deftemplate can contain. The CLIPS Object-Oriented Language (COOL) provides object-oriented programming capabilities. Features supported by COOL include classes with multiple inheritance, abstraction, encapsulation, polymorphism, dynamic binding, and message passing with message-handlers. CLIPS 6.0 supports tight integration of the rule-based programming features of CLIPS with

  3. Carbon monoxide oxidation over three different states of copper: Development of a model metal oxide catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Jernigan, Glenn Geoffrey [California Univ., Berkeley, CA (United States). Dept. of Chemistry

    1994-10-01

    Carbon monoxide oxidation was performed over the three different oxidation states of copper -- metallic (Cu), copper (I) oxide (Cu2O), and copper (II) oxide (CuO) as a test case for developing a model metal oxide catalyst amenable to study by the methods of modern surface science and catalysis. Copper was deposited and oxidized on oxidized supports of aluminum, silicon, molybdenum, tantalum, stainless steel, and iron as well as on graphite. The catalytic activity was found to decrease with increasing oxidation state (Cu > Cu2O > CuO) and the activation energy increased with increasing oxidation state (Cu, 9 kcal/mol < Cu2O, 14 kcal/mol < CuO, 17 kcal/mol). Reaction mechanisms were determined for the different oxidation states. Lastly, NO reduction by CO was studied. A Cu and CuO catalyst were exposed to an equal mixture of CO and NO at 300--350 C to observe the production of N2 and CO2. At the end of each reaction, the catalyst was found to be Cu2O. There is a need to study the kinetics of this reaction over the different oxidation states of copper.

  4. User's guide to the MESOI diffusion model: Version 1. 1 (for Data General Eclipse S/230 with AFOS)

    Energy Technology Data Exchange (ETDEWEB)

    Athey, G.F.; Ramsdell, J.V.

    1982-09-01

    MESOI is an interactive, Langrangian puff trajectory model. The model theory is documented separately (Ramsdell and Athey, 1981). Version 1.1 is a modified form of the original 1.0. It is designed to run on a Data General Eclipse computer. The model has improved support features which make it useful as an emergency response tool. This report is intended to provide the user with the information necessary to successfully conduct model simulations using MESOI Version 1.1 and to use the support programs STAPREP and EXPLT. The user is also provided information on the use of the data file maintenance and review program UPDATE. Examples are given for the operation of the program. Test data sets are described which allow the user to practice with the programs and to confirm proper implementation and execution.

  5. Modeling and Experimental Studies of Mercury Oxidation and Adsorption in a Fixed-Bed and Entrained-Flow Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Buitrago, Paula A. [Univ. of Utah, Salt Lake City, UT (United States); Morrill, Mike [Univ. of Utah, Salt Lake City, UT (United States); Lighty, JoAnn S. [Univ. of Utah, Salt Lake City, UT (United States); Silcox, Geoffrey D. [Univ. of Utah, Salt Lake City, UT (United States)

    2009-06-01

    This report presents experimental and modeling mercury oxidation and adsorption data. Fixed-bed and single-particle models of mercury adsorption were developed. The experimental data were obtained with two reactors: a 300-W, methane-fired, tubular, quartz-lined reactor for studying homogeneous oxidation reactions and a fixed-bed reactor, also of quartz, for studying heterogeneous reactions. The latter was attached to the exit of the former to provide realistic combustion gases. The fixed-bed reactor contained one gram of coconut-shell carbon and remained at a temperature of 150°C. All methane, air, SO2, and halogen species were introduced through the burner to produce a radical pool representative of real combustion systems. A Tekran 2537A Analyzer coupled with a wet conditioning system provided speciated mercury concentrations. At 150°C and in the absence of HCl or HBr, the mercury uptake was about 20%. The addition of 50 ppm HCl caused complete capture of all elemental and oxidized mercury species. In the absence of halogens, SO2 increased the mercury adsorption efficiency to up to 30 percent. The extent of adsorption decreased with increasing SO2 concentration when halogens were present. Increasing the HCl concentration to 100 ppm lessened the effect of SO2. The fixed-bed model incorporates Langmuir adsorption kinetics and was developed to predict adsorption of elemental mercury and the effect of multiple flue gas components. This model neglects intraparticle diffusional resistances and is only applicable to pulverized carbon sorbents. It roughly describes experimental data from the literature. The current version includes the ability to account for competitive adsorption between mercury, SO2, and NO2. The single particle model simulates in-flight sorbent capture of elemental mercury. This model was developed to include Langmuir and Freundlich isotherms, rate equations, sorbent feed rate, and

  6. Nuclear Criticality Safety Handbook, Version 2. English translation

    International Nuclear Information System (INIS)

    2001-08-01

    The Nuclear Criticality Safety Handbook, Version 2 essentially includes the description of the Supplement Report to the Nuclear Criticality Safety Handbook, released in 1995, into the first version of the Nuclear Criticality Safety Handbook, published in 1988. The following two points are new: (1) exemplifying safety margins related to modeled dissolution and extraction processes, (2) describing evaluation methods and alarm system for criticality accidents. Revision has been made based on previous studies for the chapter that treats modeling the fuel system: e.g., the fuel grain size that the system can be regarded as homogeneous, non-uniformity effect of fuel solution, an burnup credit. This revision has solved the inconsistencies found in the first version between the evaluation of errors found in JACS code system and the criticality condition data that were calculated based on the evaluation. This report is an English translation of the Nuclear Criticality Safety Handbook, Version 2, originally published in Japanese as JAERI 1340 in 1999. (author)

  7. Reactor modeling and process analysis for partial oxidation of natural gas

    NARCIS (Netherlands)

    Albrecht, B.A.

    2004-01-01

    This thesis analyses a novel process of partial oxidation of natural gas and develops a numerical tool for the partial oxidation reactor modeling. The proposed process generates syngas in an integrated plant of a partial oxidation reactor, a syngas turbine and an air separation unit. This is called

  8. Optical modeling of nickel-base alloys oxidized in pressurized water reactor

    Energy Technology Data Exchange (ETDEWEB)

    Clair, A. [Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS, Universite de Bourgogne, 9 avenue Alain Savary, BP 47870, 21078 Dijon cedex (France); Foucault, M.; Calonne, O. [Areva ANP, Centre Technique Departement Corrosion-Chimie, 30 Bd de l' industrie, BP 181, 71205 Le Creusot (France); Finot, E., E-mail: Eric.Finot@u-bourgogne.fr [Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS, Universite de Bourgogne, 9 avenue Alain Savary, BP 47870, 21078 Dijon cedex (France)

    2012-10-01

    The knowledge of the aging process involved in the primary water of pressurized water reactor entails investigating a mixed growth mechanism in the corrosion of nickel-base alloys. A mixed growth induces an anionic inner oxide and a cationic diffusion parallel to a dissolution-precipitation process forms the outer zone. The in situ monitoring of the oxidation kinetics requires the modeling of the oxide layer stratification with the full knowledge of the optical constants related to each component. Here, we report the dielectric constants of the alloys 600 and 690 measured by spectroscopic ellipsometry and fitted to a Drude-Lorentz model. A robust optical stratification model was determined using focused ion beam cross-section of thin foils examined by transmission electron microscopy. Dielectric constants of the inner oxide layer depleted in chromium were assimilated to those of the nickel thin film. The optical constants of both the spinels and extern layer were determined. - Highlights: Black-Right-Pointing-Pointer Spectroscopic ellipsometry of Ni-base alloy oxidation in pressurized water reactor Black-Right-Pointing-Pointer Measurements of the dielectric constants of the alloys Black-Right-Pointing-Pointer Optical simulation of the mixed oxidation process using a three stack model Black-Right-Pointing-Pointer Scattered crystallites cationic outer layer; linear Ni-gradient bottom layer Black-Right-Pointing-Pointer Determination of the refractive index of the spinel and the Cr{sub 2}O{sub 3} layers.

  9. Chemical kinetic models for combustion of hydrocarbons and formation of nitric oxide

    Science.gov (United States)

    Jachimowski, C. J.; Wilson, C. H.

    1980-01-01

    The formation of nitrogen oxides NOx during combustion of methane, propane, and a jet fuel, JP-4, was investigated in a jet stirred combustor. The results of the experiments were interpreted using reaction models in which the nitric oxide (NO) forming reactions were coupled to the appropriate hydrocarbon combustion reaction mechanisms. Comparison between the experimental data and the model predictions reveals that the CH + N2 reaction process has a significant effect on NO formation especially in stoichiometric and fuel rich mixtures. Reaction models were assembled that predicted nitric oxide levels that were in reasonable agreement with the jet stirred combustor data and with data obtained from a high pressure (5.9 atm (0.6 MPa)), prevaporized, premixed, flame tube type combustor. The results also suggested that the behavior of hydrocarbon mixtures, like JP-4, may not be significantly different from that of pure hydrocarbons. Application of the propane combustion and nitric oxide formation model to the analysis of NOx emission data reported for various aircraft gas turbines showed the contribution of the various nitric oxide forming processes to the total NOx formed.

  10. A conceptual model for the fuel oxidation of defective fuel

    International Nuclear Information System (INIS)

    Higgs, J.D.; Lewis, B.J.; Thompson, W.T.; He, Z.

    2007-01-01

    A mechanistic conceptual model has been developed to predict the fuel oxidation behaviour in operating defective fuel elements for water-cooled nuclear reactors. This theoretical work accounts for gas-phase transport and sheath reactions in the fuel-to-sheath gap to determine the local oxygen potential. An improved thermodynamic analysis has also been incorporated into the model to describe the equilibrium state of the oxidized fuel. The fuel oxidation kinetics treatment accounts for multi-phase transport including normal diffusion and thermodiffusion for interstitial oxygen migration in the solid, as well as gas-phase transport in the fuel pellet cracks. The fuel oxidation treatment is further coupled to a heat conduction equation. A numerical solution of the coupled transport equations is obtained by a finite-element technique with the FEMLAB 3.1 software package. The model is able to provide radial-axial profiles of the oxygen-to-uranium ratio and the fuel temperatures as a function of time in the defective element for a wide range of element powers and defect sizes. The model results are assessed against coulometric titration measurements of the oxygen-to-metal profile for pellet samples taken from ten spent defective elements discharged from the National Research Universal Reactor at the Chalk River Laboratories and commercial reactors

  11. Modeling CANDU type fuel behaviour during extended burnup irradiations using a revised version of the ELESIM code

    International Nuclear Information System (INIS)

    Arimescu, V.I.; Richmond, W.R.

    1992-05-01

    The high-burnup database for CANDU fuel, with a variety of cases, offers a good opportunity to check models of fuel behaviour, and to identify areas for improvement. Good agreement of calculated values of fission-gas release, and sheath hoop strain, with experimental data indicates that the global behaviour of the fuel element is adequately simulated by a computer code. Using, the ELESIM computer code, the fission-gas release, swelling, and fuel pellet expansion models were analysed, and changes made for gaseous swelling, and diffusional release of fission-gas atoms to the grain boundaries. Using this revised version of ELESIM, satisfactory agreement between measured values of fission-gas release was found for most of the high-burnup database cases. It is concluded that the revised version of the ELESIM code is able to simulate with reasonable accuracy high-burnup as well as low-burnup CANDU fuel

  12. Development of IMPACTS-BRC, Version 2.1

    International Nuclear Information System (INIS)

    Rao, R.R.; Kozak, M.W.; Rollstin, J.A.

    1991-01-01

    IMPACTS-BRC is a computer program developed to conduct scoping analyses for use in supporting rulemaking on petitions for exemption of waste streams from multiple producers. It was not initially intended for use on individual license applications for specific sites. However, the Federal Register, Volume 51, Number 168, specifies that IMPACTS-BRC be used to evaluate incoming license applications. This creates a problem since IMPACTS-BRC is not being used for its intended purpose. It is a generic code that is now being used for site specific applications. This is only a valid procedure if it can be shown that generic results from IMPACTS-BRC are conservative when compared to results from site specific models. Otherwise, IMPACTS-BRC should not be used. The purpose of this work was to verify that IMPACTS-BRC works as specified in its user's guide. In other words, Sandia National Laboratories (SNL) has determined that the mathematical models given in the user's guide are correctly implemented into the computer code. No direct work has been done to verify that the mathematical models used in the code are appropriate for the purpose that they are being used. In fact, scrutiny of the groundwater transport models in IMPACTS-BRC has led us to recommend that alternate geosphere models should be used. Other work carried out for this project included verifying that the input data for IMPACTS-BRC is correct and traceable. This was carried out, and a new version of the data with these qualities was produced. The new version of the data was used with the verified IMPACTS-BRC, Version 2.0 to produce IMPACTS-BRC, Version 2.1

  13. HECTR [Hydrogen Event Containment Transient Response] Version 1.5N: A modification of HECTR Version 1.5 for application to N Reactor

    International Nuclear Information System (INIS)

    Camp, A.L.; Dingman, S.E.

    1987-05-01

    This report describes HECTR Version 1.5N, which is a special version of HECTR developed specifically for application to the N Reactor. HECTR is a fast-running, lumped-parameter containment analysis computer program that is most useful for performing parametric studies. The main purpose of HECTR is to analyze nuclear reactor accidents involving the transport and combustion of hydrogen, but HECTR can also function as an experiment analysis tool and can solve a limited set of other types of containment problems. Version 1.5N is a modification of Version 1.5 and includes changes to the spray actuation logic, and models for steam vents, vacuum breakers, and building cross-vents. Thus, all of the key features of the N Reactor confinement can be modeled. HECTR is designed for flexibility and provides for user control of many important parameters, if built-in correlations and default values are not desired

  14. Paraquat: model for oxidant-initiated toxicity

    Energy Technology Data Exchange (ETDEWEB)

    Bus, J.S.; Gibson, J.E.

    1984-04-01

    Paraquat, a quaternary ammonium bipyridyl herbicide, produces degenerative lesions in the lung after systemic administration to man and animals. The pulmonary toxicity of paraquat resembles in several ways the toxicity of several other lung toxins, including oxygen, nitrofurantoin and bleomycin. Although a definitive mechanism of toxicity of parquat has not been delineated, a cyclic single electron reduction/oxidation of the parent molecule is a critical mechanistic event. The redox cycling of paraquat has two potentially important consequences relevant to the development of toxicity: generation of activated oxygen (e.g., superoxide anion, hydrogen perioxide, hydroxyl radical) which is highly reactive to cellular macromolecules; and/or oxidation of reducing equivalents (e.g., NADPH, reduced glutathione) necessary for normal cell function. Paraquat-induced pulmonary toxicity, therefore, is a potentially useful model for evaluation of oxidant mechanisms of toxicity. Furthermore, characterization of the consequences of intracellular redox cycling of xenobiotics will no doubt provide basic information regarding the role of this phenomena in the development of chemical toxicity. 105 references, 2 figures.

  15. In-vessel source term analysis code TRACER version 2.3. User's manual

    International Nuclear Information System (INIS)

    Toyohara, Daisuke; Ohno, Shuji; Hamada, Hirotsugu; Miyahara, Shinya

    2005-01-01

    A computer code TRACER (Transport Phenomena of Radionuclides for Accident Consequence Evaluation of Reactor) version 2.3 has been developed to evaluate species and quantities of fission products (FPs) released into cover gas during a fuel pin failure accident in an LMFBR. The TRACER version 2.3 includes new or modified models shown below. a) Both model: a new model for FPs release from fuel. b) Modified model for FPs transfer from fuel to bubbles or sodium coolant. c) Modified model for bubbles dynamics in coolant. Computational models, input data and output data of the TRACER version 2.3 are described in this user's manual. (author)

  16. Overview of the Meso-NH model version 5.4 and its applications

    Directory of Open Access Journals (Sweden)

    C. Lac

    2018-05-01

    Full Text Available This paper presents the Meso-NH model version 5.4. Meso-NH is an atmospheric non hydrostatic research model that is applied to a broad range of resolutions, from synoptic to turbulent scales, and is designed for studies of physics and chemistry. It is a limited-area model employing advanced numerical techniques, including monotonic advection schemes for scalar transport and fourth-order centered or odd-order WENO advection schemes for momentum. The model includes state-of-the-art physics parameterization schemes that are important to represent convective-scale phenomena and turbulent eddies, as well as flows at larger scales. In addition, Meso-NH has been expanded to provide capabilities for a range of Earth system prediction applications such as chemistry and aerosols, electricity and lightning, hydrology, wildland fires, volcanic eruptions, and cyclones with ocean coupling. Here, we present the main innovations to the dynamics and physics of the code since the pioneer paper of Lafore et al. (1998 and provide an overview of recent applications and couplings.

  17. Modeling SOA formation from the oxidation of intermediate volatility n-alkanes

    Directory of Open Access Journals (Sweden)

    J. Lee-Taylor

    2012-08-01

    Full Text Available The chemical mechanism leading to SOA formation and ageing is expected to be a multigenerational process, i.e. a successive formation of organic compounds with higher oxidation degree and lower vapor pressure. This process is here investigated with the explicit oxidation model GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere. Gas phase oxidation schemes are generated for the C8–C24 series of n-alkanes. Simulations are conducted to explore the time evolution of organic compounds and the behavior of secondary organic aerosol (SOA formation for various preexisting organic aerosol concentration (COA. As expected, simulation results show that (i SOA yield increases with the carbon chain length of the parent hydrocarbon, (ii SOA yield decreases with decreasing COA, (iii SOA production rates increase with increasing COA and (iv the number of oxidation steps (i.e. generations needed to describe SOA formation and evolution grows when COA decreases. The simulated oxidative trajectories are examined in a two dimensional space defined by the mean carbon oxidation state and the volatility. Most SOA contributors are not oxidized enough to be categorized as highly oxygenated organic aerosols (OOA but reduced enough to be categorized as hydrocarbon like organic aerosols (HOA, suggesting that OOA may underestimate SOA. Results show that the model is unable to produce highly oxygenated aerosols (OOA with large yields. The limitations of the model are discussed.

  18. CLIPS 6.0 - C LANGUAGE INTEGRATED PRODUCTION SYSTEM, VERSION 6.0 (IBM PC VERSION)

    Science.gov (United States)

    Donnell, B.

    1994-01-01

    CLIPS, the C Language Integrated Production System, is a complete environment for developing expert systems -- programs which are specifically intended to model human expertise or knowledge. It is designed to allow artificial intelligence research, development, and delivery on conventional computers. CLIPS 6.0 provides a cohesive tool for handling a wide variety of knowledge with support for three different programming paradigms: rule-based, object-oriented, and procedural. Rule-based programming allows knowledge to be represented as heuristics, or "rules-of-thumb" which specify a set of actions to be performed for a given situation. Object-oriented programming allows complex systems to be modeled as modular components (which can be easily reused to model other systems or create new components). The procedural programming capabilities provided by CLIPS 6.0 allow CLIPS to represent knowledge in ways similar to those allowed in languages such as C, Pascal, Ada, and LISP. Using CLIPS 6.0, one can develop expert system software using only rule-based programming, only object-oriented programming, only procedural programming, or combinations of the three. CLIPS provides extensive features to support the rule-based programming paradigm including seven conflict resolution strategies, dynamic rule priorities, and truth maintenance. CLIPS 6.0 supports more complex nesting of conditional elements in the if portion of a rule ("and", "or", and "not" conditional elements can be placed within a "not" conditional element). In addition, there is no longer a limitation on the number of multifield slots that a deftemplate can contain. The CLIPS Object-Oriented Language (COOL) provides object-oriented programming capabilities. Features supported by COOL include classes with multiple inheritance, abstraction, encapsulation, polymorphism, dynamic binding, and message passing with message-handlers. CLIPS 6.0 supports tight integration of the rule-based programming features of CLIPS with

  19. LERC-SLAM - THE NASA LEWIS RESEARCH CENTER SATELLITE LINK ATTENUATION MODEL PROGRAM (MACINTOSH VERSION)

    Science.gov (United States)

    Manning, R. M.

    1994-01-01

    The frequency and intensity of rain attenuation affecting the communication between a satellite and an earth terminal is an important consideration in planning satellite links. The NASA Lewis Research Center Satellite Link Attenuation Model Program (LeRC-SLAM) provides a static and dynamic statistical assessment of the impact of rain attenuation on a communications link established between an earth terminal and a geosynchronous satellite. The program is designed for use in the specification, design and assessment of satellite links for any terminal location in the continental United States. The basis for LeRC-SLAM is the ACTS Rain Attenuation Prediction Model, which uses a log-normal cumulative probability distribution to describe the random process of rain attenuation on satellite links. The derivation of the statistics for the rainrate process at the specified terminal location relies on long term rainfall records compiled by the U.S. Weather Service during time periods of up to 55 years in length. The theory of extreme value statistics is also utilized. The user provides 1) the longitudinal position of the satellite in geosynchronous orbit, 2) the geographical position of the earth terminal in terms of latitude and longitude, 3) the height above sea level of the terminal site, 4) the yearly average rainfall at the terminal site, and 5) the operating frequency of the communications link (within 1 to 1000 GHz, inclusive). Based on the yearly average rainfall at the terminal location, LeRC-SLAM calculates the relevant rain statistics for the site using an internal data base. The program then generates rain attenuation data for the satellite link. This data includes a description of the static (i.e., yearly) attenuation process, an evaluation of the cumulative probability distribution for attenuation effects, and an evaluation of the probability of fades below selected fade depths. In addition, LeRC-SLAM calculates the elevation and azimuth angles of the terminal

  20. Versioning of printed products

    Science.gov (United States)

    Tuijn, Chris

    2005-01-01

    During the definition of a printed product in an MIS system, a lot of attention is paid to the production process. The MIS systems typically gather all process-related parameters at such a level of detail that they can determine what the exact cost will be to make a specific product. This information can then be used to make a quote for the customer. Considerably less attention is paid to the content of the products since this does not have an immediate impact on the production costs (assuming that the number of inks or plates is known in advance). The content management is typically carried out either by the prepress systems themselves or by dedicated workflow servers uniting all people that contribute to the manufacturing of a printed product. Special care must be taken when considering versioned products. With versioned products we here mean distinct products that have a number of pages or page layers in common. Typical examples are comic books that have to be printed in different languages. In this case, the color plates can be shared over the different versions and the black plate will be different. Other examples are nation-wide magazines or newspapers that have an area with regional pages or advertising leaflets in different languages or currencies. When considering versioned products, the content will become an important cost factor. First of all, the content management (and associated proofing and approval cycles) becomes much more complex and, therefore, the risk that mistakes will be made increases considerably. Secondly, the real production costs are very much content-dependent because the content will determine whether plates can be shared across different versions or not and how many press runs will be needed. In this paper, we will present a way to manage different versions of a printed product. First, we will introduce a data model for version management. Next, we will show how the content of the different versions can be supplied by the customer

  1. Modeling Nitrous Oxide Production during Biological Nitrogen Removal via Nitrification and Denitrification: Extensions to the General ASM Models

    DEFF Research Database (Denmark)

    Ni, Bing-Jie; Ruscalleda, Maël; Pellicer i Nàcher, Carles

    2011-01-01

    on N2O production from four different mixed culture nitrification and denitrification reactor study reports. Modeling results confirm that hydroxylamine oxidation by ammonium oxidizers (AOB) occurs 10 times slower when NO2– participates as final electron acceptor compared to the oxic pathway. Among......Nitrous oxide (N2O) can be formed during biological nitrogen (N) removal processes. In this work, a mathematical model is developed that describes N2O production and consumption during activated sludge nitrification and denitrification. The well-known ASM process models are extended to capture N2O...

  2. Recent extensions and use of the statistical model code EMPIRE-II - version: 2.17 Millesimo

    International Nuclear Information System (INIS)

    Herman, M.

    2003-01-01

    This lecture notes describe new features of the modular code EMPIRE-2.17 designed to perform comprehensive calculations of nuclear reactions using variety of nuclear reaction models. Compared to the version 2.13, the current release has been extended by including Coupled-Channel mechanism, exciton model, Monte Carlo approach to preequilibrium emission, use of microscopic level densities, widths fluctuation correction, detailed calculation of the recoil spectra, and powerful plotting capabilities provided by the ZVView package. The second part of this lecture concentrates on the use of the code in practical calculations, with emphasis on the aspects relevant to nuclear data evaluation. In particular, adjusting model parameters is discussed in details. (author)

  3. A description of the FAMOUS (version XDBUA climate model and control run

    Directory of Open Access Journals (Sweden)

    A. Osprey

    2008-12-01

    Full Text Available FAMOUS is an ocean-atmosphere general circulation model of low resolution, capable of simulating approximately 120 years of model climate per wallclock day using current high performance computing facilities. It uses most of the same code as HadCM3, a widely used climate model of higher resolution and computational cost, and has been tuned to reproduce the same climate reasonably well. FAMOUS is useful for climate simulations where the computational cost makes the application of HadCM3 unfeasible, either because of the length of simulation or the size of the ensemble desired. We document a number of scientific and technical improvements to the original version of FAMOUS. These improvements include changes to the parameterisations of ozone and sea-ice which alleviate a significant cold bias from high northern latitudes and the upper troposphere, and the elimination of volume-averaged drifts in ocean tracers. A simple model of the marine carbon cycle has also been included. A particular goal of FAMOUS is to conduct millennial-scale paleoclimate simulations of Quaternary ice ages; to this end, a number of useful changes to the model infrastructure have been made.

  4. A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts

    Science.gov (United States)

    Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

    2016-04-01

    As part III of this series, the model is extended to iron oxide-containing melts. All available experimental data in the FeO-Fe2O3-Na2O-K2O-MgO-CaO-MnO-Al2O3-SiO2 system were critically evaluated based on the experimental condition. The variations of FeO and Fe2O3 in the melts were taken into account by using FactSage to calculate the Fe2+/Fe3+ distribution. The molar volume model with unary and binary model parameters can be used to predict the molar volume of the molten oxide of the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-FeO-Fe2O3-Al2O3-SiO2 system in the entire range of compositions, temperatures, and oxygen partial pressures from Fe saturation to 1 atm pressure.

  5. Photoelectrolysis at the oxide-electrolyte interface as interpreted through the 'transition' layer model

    Science.gov (United States)

    Kalia, R. K.; Weber, Michael F.; Schumacher, L.; Dignam, M. J.

    1980-12-01

    A transition layer model of the oxide-electrolyte interface, proposed earlier by one of us, is outlined and then examined in the light of experimental data relating primarily to photoelectrolysis of water at semiconducting oxide electrodes. The model provides useful insight into the behaviour of the system and allows a calculation of thc minimum bias potential needed for photoelectrolysis, thus illuminating the origin of the requirement for such an external bias. In order to electrolyse water without a bias, the model requires an n-type oxide to be sufficiently reduced so that it is thermodynamically capable of chemically reducing water to produce hydrogen at 1 atm pressure. Similarly, for bias-free operation, a p-type metal oxide must be thermodynamically unstable with respect to the release of oxygen at 1 atm pressure. In the face of these requirements it is apparent that oxide stability is bound to be in general a serious problem for nonstoichiometric single metal oxides.

  6. Mathematical modeling of nitrous oxide production in an anaerobic/oxic/anoxic process.

    Science.gov (United States)

    Ding, Xiaoqian; Zhao, Jianqiang; Hu, Bo; Chen, Ying; Ge, Guanghuan; Li, Xiaoling; Wang, Sha; Gao, Kun; Tian, Xiaolei

    2016-12-01

    This study incorporates three currently known nitrous oxide (N 2 O) production pathways: ammonium-oxidizing bacteria (AOB) denitrification, incomplete hydroxylamine (NH 2 OH) oxidation, and heterotrophic denitrification on intracellular polymers, into a mathematical model to describe N 2 O production in an anaerobic/oxic/anoxic (AOA) process for the first time. The developed model was calibrated and validated by four experimental cases, then evaluated by two independent anaerobic/aerobic (AO) studies from literature. The modeling results displayed good agreement with the measured data. N 2 O was primarily generated in the aerobic stage by AOB denitrification (67.84-81.64%) in the AOA system. Smaller amounts of N 2 O were produced via incomplete NH 2 OH oxidation (15.61-32.17%) and heterotrophic denitrification on intracellular polymers (0-12.47%). The high nitrite inhibition on N 2 O reductase led to the increased N 2 O accumulation in heterotrophic denitrification on intracellular polymers. The new model was capable of modeling nitrification-denitrification dynamics and heterotrophic denitrification on intracellular polymers in the AOA system. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. Oxycline formation induced by Fe(II) oxidation in a water reservoir affected by acid mine drainage modeled using a 2D hydrodynamic and water quality model - CE-QUAL-W2.

    Science.gov (United States)

    Torres, Ester; Galván, Laura; Cánovas, Carlos Ruiz; Soria-Píriz, Sara; Arbat-Bofill, Marina; Nardi, Albert; Papaspyrou, Sokratis; Ayora, Carlos

    2016-08-15

    The Sancho reservoir is an acid mine drainage (AMD)-contaminated reservoir located in the Huelva province (SW Spain) with a pH close to 3.5. The water is only used for a refrigeration system of a paper mill. The Sancho reservoir is holomictic with one mixing period per year in the winter. During this mixing period, oxygenated water reaches the sediment, while under stratified conditions (the rest of the year) hypoxic conditions develop at the hypolimnion. A CE-QUAL-W2 model was calibrated for the Sancho Reservoir to predict the thermocline and oxycline formation, as well as the salinity, ammonium, nitrate, phosphorous, algal, chlorophyll-a, and iron concentrations. The version 3.7 of the model does not allow simulating the oxidation of Fe(II) in the water column, which limits the oxygen consumption of the organic matter oxidation. However, to evaluate the impact of Fe(II) oxidation on the oxycline formation, Fe(II) has been introduced into the model based on its relationship with labile dissolved organic matter (LDOM). The results show that Fe oxidation is the main factor responsible for the oxygen depletion in the hypolimnion of the Sancho Reservoir. The limiting factors for green algal growth have also been studied. The model predicted that ammonium, nitrate, and phosphate were not limiting factors for green algal growth. Light appeared to be one of the limiting factors for algal growth, while chlorophyll-a and dissolved oxygen concentrations could not be fully described. We hypothesize that dissolved CO2 is one of the limiting nutrients due to losses by the high acidity of the water column. The sensitivity tests carried out support this hypothesis. Two different remediation scenarios have been tested with the calibrated model: 1) an AMD passive treatment plant installed at the river, which removes completely Fe, and 2) different depth water extractions. If no Fe was introduced into the reservoir, water quality would significantly improve in only two years

  8. Behaviour of defective CANDU fuel: fuel oxidation kinetic and thermodynamic modelling

    International Nuclear Information System (INIS)

    Higgs, J.

    2005-01-01

    The thermal performance of operating CANDU fuel under defect conditions is affected by the ingress of heavy water into the fuel element. A mechanistic model has been developed to predict the extent of fuel oxidation in defective fuel and its affect on fuel thermal performance. A thermodynamic treatment of such oxidized fuel has been performed as a basis for the boundary conditions in the kinetic model. Both the kinetic and thermodynamic models have been benchmarked against recent experimental work. (author)

  9. Biosphere-Atmosphere Transfer Scheme (BATS) version le as coupled to the NCAR community climate model. Technical note. [NCAR (National Center for Atmospheric Research)

    Energy Technology Data Exchange (ETDEWEB)

    Dickinson, R.E.; Henderson-Sellers, A.; Kennedy, P.J.

    1993-08-01

    A comprehensive model of land-surface processes has been under development suitable for use with various National Center for Atmospheric Research (NCAR) General Circulation Models (GCMs). Special emphasis has been given to describing properly the role of vegetation in modifying the surface moisture and energy budgets. The result of these efforts has been incorporated into a boundary package, referred to as the Biosphere-Atmosphere Transfer Scheme (BATS). The current frozen version, BATS1e is a piece of software about four thousand lines of code that runs as an offline version or coupled to the Community Climate Model (CCM).

  10. [External cephalic version].

    Science.gov (United States)

    Navarro-Santana, B; Duarez-Coronado, M; Plaza-Arranz, J

    2016-08-01

    To analyze the rate of successful external cephalic versions in our center and caesarean sections that would be avoided with the use of external cephalic versions. From January 2012 to March 2016 external cephalic versions carried out at our center, which were a total of 52. We collected data about female age, gestational age at the time of the external cephalic version, maternal body mass index (BMI), fetal variety and situation, fetal weight, parity, location of the placenta, amniotic fluid index (ILA), tocolysis, analgesia, and newborn weight at birth, minor adverse effects (dizziness, hypotension and maternal pain) and major adverse effects (tachycardia, bradycardia, decelerations and emergency cesarean section). 45% of the versions were unsuccessful and 55% were successful. The percentage of successful vaginal delivery in versions was 84% (4% were instrumental) and 15% of caesarean sections. With respect to the variables studied, only significant differences in birth weight were found; suggesting that birth weight it is related to the outcome of external cephalic version. Probably we did not find significant differences due to the number of patients studied. For women with breech presentation, we recommend external cephalic version before the expectant management or performing a cesarean section. The external cephalic version increases the proportion of fetuses in cephalic presentation and also decreases the rate of caesarean sections.

  11. Control strategies for nitrous oxide emissions reduction on wastewater treatment plants operation.

    Science.gov (United States)

    Santín, I; Barbu, M; Pedret, C; Vilanova, R

    2017-11-15

    The present paper focused on reducing greenhouse gases emissions in wastewater treatment plants operation by application of suitable control strategies. Specifically, the objective is to reduce nitrous oxide emissions during the nitrification process. Incomplete nitrification in the aerobic tanks can lead to an accumulation of nitrite that triggers the nitrous oxide emissions. In order to avoid the peaks of nitrous oxide emissions, this paper proposes a cascade control configuration by manipulating the dissolved oxygen set-points in the aerobic tanks. This control strategy is combined with ammonia cascade control already applied in the literature. This is performed with the objective to take also into account effluent pollutants and operational costs. In addition, other greenhouse gases emissions sources are also evaluated. Results have been obtained by simulation, using a modified version of Benchmark Simulation Model no. 2, which takes into account greenhouse gases emissions. This is called Benchmark Simulation Model no. 2 Gas. The results show that the proposed control strategies are able to reduce by 29.86% of nitrous oxide emissions compared to the default control strategy, while maintaining a satisfactory trade-off between water quality and costs. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Depression, anxiety-like behavior and memory impairment are associated with increased oxidative stress and inflammation in a rat model of social stress.

    Science.gov (United States)

    Patki, Gaurav; Solanki, Naimesh; Atrooz, Fatin; Allam, Farida; Salim, Samina

    2013-11-20

    In the present study, we have examined the behavioral and biochemical effect of induction of psychological stress using a modified version of the resident-intruder model for social stress (social defeat). At the end of the social defeat protocol, body weights, food and water intake were recorded, depression and anxiety-like behaviors as well as memory function was examined. Biochemical analysis including oxidative stress measurement, inflammatory markers and other molecular parameters, critical to behavioral effects were examined. We observed a significant decrease in the body weight in the socially defeated rats as compared to the controls. Furthermore, social defeat increased anxiety-like behavior and caused memory impairment in rats (PSocially defeated rats made significantly more errors in long term memory tests (Psocially defeated rats, when compared to control rats. We suggest that social defeat stress alters ERK1/2, IL-6, GLO1, GSR1, CAMKIV, CREB, and BDNF levels in specific brain areas, leading to oxidative stress-induced anxiety-depression-like behaviors and as well as memory impairment in rats. © 2013 Published by Elsevier B.V.

  13. Programs OPTMAN and SHEMMAN Version 6 (1999) - Coupled-Channels optical model and collective nuclear structure calculation -

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Jong Hwa; Lee, Jeong Yeon; Lee, Young Ouk; Sukhovitski, Efrem Sh [Korea Atomic Energy Research Institute, Taejeon (Korea)

    2000-01-01

    Programs SHEMMAN and OPTMAN (Version 6) have been developed for determinations of nuclear Hamiltonian parameters and for optical model calculations, respectively. The optical model calculations by OPTMAN with coupling schemes built on wave functions functions of non-axial soft-rotator are self-consistent, since the parameters of the nuclear Hamiltonian are determined by adjusting the energies of collective levels to experimental values with SHEMMAN prior to the optical model calculation. The programs have been installed at Nuclear Data Evaluation Laboratory of KAERI. This report is intended as a brief manual of these codes. 43 refs., 9 figs., 1 tabs. (Author)

  14. Updates to the Demographic and Spatial Allocation Models to Produce Integrated Climate and Land Use Scenarios (ICLUS) (Final Report, Version 2)

    Science.gov (United States)

    EPA's announced the availability of the final report, Updates to the Demographic and Spatial Allocation Models to Produce Integrated Climate and Land Use Scenarios (ICLUS) (Version 2). This update furthered land change modeling by providing nationwide housing developmen...

  15. CLIPS 6.0 - C LANGUAGE INTEGRATED PRODUCTION SYSTEM, VERSION 6.0 (DEC VAX VMS VERSION)

    Science.gov (United States)

    Donnell, B.

    1994-01-01

    CLIPS, the C Language Integrated Production System, is a complete environment for developing expert systems -- programs which are specifically intended to model human expertise or knowledge. It is designed to allow artificial intelligence research, development, and delivery on conventional computers. CLIPS 6.0 provides a cohesive tool for handling a wide variety of knowledge with support for three different programming paradigms: rule-based, object-oriented, and procedural. Rule-based programming allows knowledge to be represented as heuristics, or "rules-of-thumb" which specify a set of actions to be performed for a given situation. Object-oriented programming allows complex systems to be modeled as modular components (which can be easily reused to model other systems or create new components). The procedural programming capabilities provided by CLIPS 6.0 allow CLIPS to represent knowledge in ways similar to those allowed in languages such as C, Pascal, Ada, and LISP. Using CLIPS 6.0, one can develop expert system software using only rule-based programming, only object-oriented programming, only procedural programming, or combinations of the three. CLIPS provides extensive features to support the rule-based programming paradigm including seven conflict resolution strategies, dynamic rule priorities, and truth maintenance. CLIPS 6.0 supports more complex nesting of conditional elements in the if portion of a rule ("and", "or", and "not" conditional elements can be placed within a "not" conditional element). In addition, there is no longer a limitation on the number of multifield slots that a deftemplate can contain. The CLIPS Object-Oriented Language (COOL) provides object-oriented programming capabilities. Features supported by COOL include classes with multiple inheritance, abstraction, encapsulation, polymorphism, dynamic binding, and message passing with message-handlers. CLIPS 6.0 supports tight integration of the rule-based programming features of CLIPS with

  16. Fatty acid oxidation changes and the correlation with oxidative stress in different preeclampsia-like mouse models.

    Directory of Open Access Journals (Sweden)

    Xiaoyan Ding

    Full Text Available BACKGROUND: Long-chain 3-hydroxyacyl-CoA dehydrogenase (LCHAD expression is decreased in placenta of some cases of preeclampsia (PE which may result in free fatty acid (FFA increased. High FFA level will induce oxidative stress, so abnormal long-chain fatty acid-oxidation may participate in the pathogenesis of PE through oxidative stress pathway. METHODS: PE-like groups were ApoC3 transgenic mice with abnormal fatty acid metabolism, classical PE-like models with injection of Nw-nitro-L-arginine-methyl ester (L-NA or lipopolysaccharide (LPS and the antiphospholipid syndrome (APS mouse model with β2GPI injection (ApoC3+NS, ApoC3+L-NA, L-NA, LPS and β2GPI groups. The control group was wild-type mice with normal saline injection. Except for β2GPI mice, the other mice were subdivided into pre-implantation (Pre and mid-pregnancy (Mid subgroups by injection time. RESULTS: All PE-like groups showed hypertension and proteinuria except ApoC3+NS mice only showed hypertension. Serum FFA levels increased significantly except in LPS group compared to controls (P<0.05. LCHAD mRNA and protein expression in the liver and placenta was significantly higher for ApoC3+NS, ApoC3+L-NA and β2GPI mice and lower for L-NA mice than controls (P<0.05 but did not differ between LPS mice and controls. P47phox mRNA and protein expression in the liver significantly increased in all PE-like groups except LPS group, while P47phox expression in the placenta only significantly increased in L-NA and β2GPI groups. CONCLUSIONS: Abnormal long-chain fatty acid-oxidation may play a different role in different PE-like models and in some cases participate in the pathogenesis of PE through oxidative stress pathway.

  17. Oxidation kinetics of model compounds of metabolic waste in supercritical water

    Science.gov (United States)

    Webley, Paul A.; Holgate, Henry R.; Stevenson, David M.; Tester, Jefferson W.

    1990-01-01

    In this NASA-funded study, the oxidation kinetics of methanol and ammonia in supercritical water have been experimentally determined in an isothermal plug flow reactor. Theoretical studies have also been carried out to characterize key reaction pathways. Methanol oxidation rates were found to be proportional to the first power of methanol concentration and independent of oxygen concentration and were highly activated with an activation energy of approximately 98 kcal/mole over the temperature range 480 to 540 C at 246 bar. The oxidation of ammonia was found to be catalytic with an activation energy of 38 kcal/mole over temperatures ranging from 640 to 700 C. An elementary reaction model for methanol oxidation was applied after correction for the effect of high pressure on the rate constants. The conversion of methanol predicted by the model was in good agreement with experimental data.

  18. Modelling of stable isotope fractionation by methane oxidation and diffusion in landfill cover soils

    International Nuclear Information System (INIS)

    Mahieu, Koenraad; De Visscher, Alex; Vanrolleghem, Peter A.; Van Cleemput, Oswald

    2008-01-01

    A technique to measure biological methane oxidation in landfill cover soils that is gaining increased interest is the measurement of stable isotope fractionation in the methane. Usually to quantify methane oxidation, only fractionation by oxidation is taken into account. Recently it was shown that neglecting the isotope fractionation by diffusion results in underestimation of the methane oxidation. In this study a simulation model was developed that describes gas transport and methane oxidation in landfill cover soils. The model distinguishes between 12 CH 4 , 13 CH 4 , and 12 CH 3 D explicitly, and includes isotope fractionation by diffusion and oxidation. To evaluate the model, the simulations were compared with column experiments from previous studies. The predicted concentration profiles and isotopic profiles match the measured ones very well, with a root mean square deviation (RMSD) of 1.7 vol% in the concentration and a RMSD of 0.8 per mille in the δ 13 C value, with δ 13 C the relative 13 C abundance as compared to an international standard. Overall, the comparison shows that a model-based isotope approach for the determination of methane oxidation efficiencies is feasible and superior to existing isotope methods

  19. Fuel behaviour calculations with version 2.0 of the code FUROM

    International Nuclear Information System (INIS)

    Kulacsy, K.

    2011-01-01

    The fuel modelling code FUROM (FUel ROd Model), suitable for calculating the normal operation condition behaviour of PWR and WWER fuels, has been developed at AEKI for several years. In 2010 the new version of the code, FUROM-2.0 was released. Calculations performed with this version and results are presented. (author)

  20. Oxidative desulfurization: kinetic modelling.

    Science.gov (United States)

    Dhir, S; Uppaluri, R; Purkait, M K

    2009-01-30

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H(2)O(2) over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel.

  1. Oxidative desulfurization: Kinetic modelling

    International Nuclear Information System (INIS)

    Dhir, S.; Uppaluri, R.; Purkait, M.K.

    2009-01-01

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H 2 O 2 over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel

  2. Conceptual Model of an Application for Automated Generation of Webpage Mobile Versions

    Directory of Open Access Journals (Sweden)

    Todor Rachovski

    2017-11-01

    Full Text Available Accessing webpages through various types of mobile devices with different screen sizes and using different browsers has put new demands on web developers. The main challenge is the development of websites with responsive design that is adaptable depending on the mobile device used. The article presents a conceptual model of an app for automated generation of mobile pages. It has five-layer architecture: database, database management layer, business logic layer, web services layer and a presentation layer. The database stores all the data needed to run the application. The database management layer uses an ORM model to convert relational data into an object-oriented format and control the access to them. The business logic layer contains components that perform the actual work on building a mobile version of the page, including parsing, building a hierarchical model of the page and a number of transformations. The web services layer provides external applications with access to lower-level functionalities, and the presentation layer is responsible for choosing and using the appropriate CSS. A web application that uses the proposed model was developed and experiments were conducted.

  3. Online dynamical downscaling of temperature and precipitation within the iLOVECLIM model (version 1.1)

    Science.gov (United States)

    Quiquet, Aurélien; Roche, Didier M.; Dumas, Christophe; Paillard, Didier

    2018-02-01

    This paper presents the inclusion of an online dynamical downscaling of temperature and precipitation within the model of intermediate complexity iLOVECLIM v1.1. We describe the following methodology to generate temperature and precipitation fields on a 40 km × 40 km Cartesian grid of the Northern Hemisphere from the T21 native atmospheric model grid. Our scheme is not grid specific and conserves energy and moisture in the same way as the original climate model. We show that we are able to generate a high-resolution field which presents a spatial variability in better agreement with the observations compared to the standard model. Although the large-scale model biases are not corrected, for selected model parameters, the downscaling can induce a better overall performance compared to the standard version on both the high-resolution grid and on the native grid. Foreseen applications of this new model feature include the improvement of ice sheet model coupling and high-resolution land surface models.

  4. Thermal oxidative degradation kinetics of agricultural residues using distributed activation energy model and global kinetic model.

    Science.gov (United States)

    Ren, Xiu'e; Chen, Jianbiao; Li, Gang; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi

    2018-08-01

    The study concerned the thermal oxidative degradation kinetics of agricultural residues, peanut shell (PS) and sunflower shell (SS). The thermal behaviors were evaluated via thermogravimetric analysis and the kinetic parameters were determined by using distributed activation energy model (DAEM) and global kinetic model (GKM). Results showed that thermal oxidative decomposition of two samples processed in three zones; the ignition, burnout, and comprehensive combustibility between two agricultural residues were of great difference; and the combustion performance could be improved by boosting heating rate. The activation energy ranges calculated by the DAEM for the thermal oxidative degradation of PS and SS were 88.94-145.30 kJ mol -1 and 94.86-169.18 kJ mol -1 , respectively. The activation energy obtained by the GKM for the oxidative decomposition of hemicellulose and cellulose was obviously lower than that for the lignin oxidation at identical heating rate. To some degree, the determined kinetic parameters could acceptably simulate experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.

  5. Genome-Scale, Constraint-Based Modeling of Nitrogen Oxide Fluxes during Coculture of Nitrosomonas europaea and Nitrobacter winogradskyi

    Science.gov (United States)

    Giguere, Andrew T.; Murthy, Ganti S.; Bottomley, Peter J.; Sayavedra-Soto, Luis A.

    2018-01-01

    ABSTRACT Nitrification, the aerobic oxidation of ammonia to nitrate via nitrite, emits nitrogen (N) oxide gases (NO, NO2, and N2O), which are potentially hazardous compounds that contribute to global warming. To better understand the dynamics of nitrification-derived N oxide production, we conducted culturing experiments and used an integrative genome-scale, constraint-based approach to model N oxide gas sources and sinks during complete nitrification in an aerobic coculture of two model nitrifying bacteria, the ammonia-oxidizing bacterium Nitrosomonas europaea and the nitrite-oxidizing bacterium Nitrobacter winogradskyi. The model includes biotic genome-scale metabolic models (iFC578 and iFC579) for each nitrifier and abiotic N oxide reactions. Modeling suggested both biotic and abiotic reactions are important sources and sinks of N oxides, particularly under microaerobic conditions predicted to occur in coculture. In particular, integrative modeling suggested that previous models might have underestimated gross NO production during nitrification due to not taking into account its rapid oxidation in both aqueous and gas phases. The integrative model may be found at https://github.com/chaplenf/microBiome-v2.1. IMPORTANCE Modern agriculture is sustained by application of inorganic nitrogen (N) fertilizer in the form of ammonium (NH4+). Up to 60% of NH4+-based fertilizer can be lost through leaching of nitrifier-derived nitrate (NO3−), and through the emission of N oxide gases (i.e., nitric oxide [NO], N dioxide [NO2], and nitrous oxide [N2O] gases), the latter being a potent greenhouse gas. Our approach to modeling of nitrification suggests that both biotic and abiotic mechanisms function as important sources and sinks of N oxides during microaerobic conditions and that previous models might have underestimated gross NO production during nitrification. PMID:29577088

  6. Genome-Scale, Constraint-Based Modeling of Nitrogen Oxide Fluxes during Coculture of Nitrosomonas europaea and Nitrobacter winogradskyi.

    Science.gov (United States)

    Mellbye, Brett L; Giguere, Andrew T; Murthy, Ganti S; Bottomley, Peter J; Sayavedra-Soto, Luis A; Chaplen, Frank W R

    2018-01-01

    Nitrification, the aerobic oxidation of ammonia to nitrate via nitrite, emits nitrogen (N) oxide gases (NO, NO 2 , and N 2 O), which are potentially hazardous compounds that contribute to global warming. To better understand the dynamics of nitrification-derived N oxide production, we conducted culturing experiments and used an integrative genome-scale, constraint-based approach to model N oxide gas sources and sinks during complete nitrification in an aerobic coculture of two model nitrifying bacteria, the ammonia-oxidizing bacterium Nitrosomonas europaea and the nitrite-oxidizing bacterium Nitrobacter winogradskyi . The model includes biotic genome-scale metabolic models (iFC578 and iFC579) for each nitrifier and abiotic N oxide reactions. Modeling suggested both biotic and abiotic reactions are important sources and sinks of N oxides, particularly under microaerobic conditions predicted to occur in coculture. In particular, integrative modeling suggested that previous models might have underestimated gross NO production during nitrification due to not taking into account its rapid oxidation in both aqueous and gas phases. The integrative model may be found at https://github.com/chaplenf/microBiome-v2.1. IMPORTANCE Modern agriculture is sustained by application of inorganic nitrogen (N) fertilizer in the form of ammonium (NH 4 + ). Up to 60% of NH 4 + -based fertilizer can be lost through leaching of nitrifier-derived nitrate (NO 3 - ), and through the emission of N oxide gases (i.e., nitric oxide [NO], N dioxide [NO 2 ], and nitrous oxide [N 2 O] gases), the latter being a potent greenhouse gas. Our approach to modeling of nitrification suggests that both biotic and abiotic mechanisms function as important sources and sinks of N oxides during microaerobic conditions and that previous models might have underestimated gross NO production during nitrification.

  7. SHABERTH - ANALYSIS OF A SHAFT BEARING SYSTEM (CRAY VERSION)

    Science.gov (United States)

    Coe, H. H.

    1994-01-01

    shear forces in the inlet zone of lubricated contacts, which accounts for the degree of lubricant film starvation; modeling normal and friction forces between a ball and a cage pocket, which account for the transition between the hydrodynamic and elastohydrodynamic regimes of lubrication; and a model of the effect on fatigue life of the ratio of the EHD plateau film thickness to the composite surface roughness. SHABERTH is intended to be as general as possible. The models in SHABERTH allow for the complete mathematical simulation of real physical systems. Systems are limited to a maximum of five bearings supporting the shaft, a maximum of thirty rolling elements per bearing, and a maximum of one hundred temperature nodes. The SHABERTH program structure is modular and has been designed to permit refinement and replacement of various component models as the need and opportunities develop. A preprocessor is included in the IBM PC version of SHABERTH to provide a user friendly means of developing SHABERTH models and executing the resulting code. The preprocessor allows the user to create and modify data files with minimal effort and a reduced chance for errors. Data is utilized as it is entered; the preprocessor then decides what additional data is required to complete the model. Only this required information is requested. The preprocessor can accommodate data input for any SHABERTH compatible shaft bearing system model. The system may include ball bearings, roller bearings, and/or tapered roller bearings. SHABERTH is written in FORTRAN 77, and two machine versions are available from COSMIC. The CRAY version (LEW-14860) has a RAM requirement of 176K of 64 bit words. The IBM PC version (MFS-28818) is written for IBM PC series and compatible computers running MS-DOS, and includes a sample MS-DOS executable. For execution, the PC version requires at least 1Mb of RAM and an 80386 or 486 processor machine with an 80x87 math co-processor. The standard distribution medium for the

  8. Comprehensive atmospheric modeling of reactive cyclic siloxanes and their oxidation products

    Science.gov (United States)

    Janechek, Nathan J.; Hansen, Kaj M.; Stanier, Charles O.

    2017-07-01

    Cyclic volatile methyl siloxanes (cVMSs) are important components in personal care products that transport and react in the atmosphere. Octamethylcyclotetrasiloxane (D4), decamethylcyclopentasiloxane (D5), dodecamethylcyclohexasiloxane (D6), and their gas-phase oxidation products have been incorporated into the Community Multiscale Air Quality (CMAQ) model. Gas-phase oxidation products, as the precursor to secondary organic aerosol from this compound class, were included to quantify the maximum potential for aerosol formation from gas-phase reactions with OH. Four 1-month periods were modeled to quantify typical concentrations, seasonal variability, spatial patterns, and vertical profiles. Typical model concentrations showed parent compounds were highly dependent on population density as cities had monthly averaged peak D5 concentrations up to 432 ng m-3. Peak oxidized D5 concentrations were significantly less, up to 9 ng m-3, and were located downwind of major urban areas. Model results were compared to available measurements and previous simulation results. Seasonal variation was analyzed and differences in seasonal influences were observed between urban and rural locations. Parent compound concentrations in urban and peri-urban locations were sensitive to transport factors, while parent compounds in rural areas and oxidized product concentrations were influenced by large-scale seasonal variability in OH.

  9. Kinetic Modeling of a Heterogeneous Fenton Oxidative Treatment of Petroleum Refining Wastewater

    Science.gov (United States)

    Basheer Hasan, Diya'uddeen; Abdul Raman, Abdul Aziz; Wan Daud, Wan Mohd Ashri

    2014-01-01

    The mineralisation kinetics of petroleum refinery effluent (PRE) by Fenton oxidation were evaluated. Within the ambit of the experimental data generated, first-order kinetic model (FKM), generalised lumped kinetic model (GLKM), and generalized kinetic model (GKM) were tested. The obtained apparent kinetic rate constants for the initial oxidation step (k 2′), their final oxidation step (k 1′), and the direct conversion to endproducts step (k 3′) were 10.12, 3.78, and 0.24 min−1 for GKM; 0.98, 0.98, and nil min−1 for GLKM; and nil, nil, and >0.005 min−1 for FKM. The findings showed that GKM is superior in estimating the mineralization kinetics. PMID:24592152

  10. Catalytic oxidation using nitrous oxide

    Directory of Open Access Journals (Sweden)

    Juan Carlos Beltran-Prieto

    2017-01-01

    Full Text Available Nitrous oxide is a very inert gas used generally as oxidant as it offers some advantage compared with other oxidants such as O2 but a considerably higher temperature (> 526 °C is often required. For particular cases such as the oxidation of sugar alcohols, especially for the oxidation of primary alcohols to aldehydes, N2O has the advantage over O2 of a higher reaction selectivity. In the present paper we present the modelling of oxidation reaction of sugar alcohols using an oxidizing agent in low concentrations, which is important to suppress subsequent oxidation reactions due to the very low residual concentrations of the oxidizing agent. For orientation experiments we chose nitrous oxide generated by thermal decomposition of ammonium nitrate. Kinetic modeling of the reaction was performed after determination of the differential equations that describe the system under study.

  11. Global Precipitation Climatology Project (GPCP) - Monthly, Version 2.2 (Version Superseded)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Version 2.2 of the dataset has been superseded by a newer version. Users should not use version 2.2 except in rare cases (e.g., when reproducing previous studies...

  12. Evaluation of dust and trace metal estimates from the Community Multiscale Air Quality (CMAQ model version 5.0

    Directory of Open Access Journals (Sweden)

    K. W. Appel

    2013-07-01

    Full Text Available The Community Multiscale Air Quality (CMAQ model is a state-of-the-science air quality model that simulates the emission, transformation, transport, and fate of the many different air pollutant species that comprise particulate matter (PM, including dust (or soil. The CMAQ model version 5.0 (CMAQv5.0 has several enhancements over the previous version of the model for estimating the emission and transport of dust, including the ability to track the specific elemental constituents of dust and have the model-derived concentrations of those elements participate in chemistry. The latest version of the model also includes a parameterization to estimate emissions of dust due to wind action. The CMAQv5.0 modeling system was used to simulate the entire year 2006 for the continental United States, and the model estimates were evaluated against daily surface-based measurements from several air quality networks. The CMAQ modeling system overall did well replicating the observed soil concentrations in the western United States (mean bias generally around ±0.5 μg m−3; however, the model consistently overestimated the observed soil concentrations in the eastern United States (mean bias generally between 0.5–1.5 μg m−3, regardless of season. The performance of the individual trace metals was highly dependent on the network, species, and season, with relatively small biases for Fe, Al, Si, and Ti throughout the year at the Interagency Monitoring of Protected Visual Environments (IMPROVE sites, while Ca, K, and Mn were overestimated and Mg underestimated. For the urban Chemical Speciation Network (CSN sites, Fe, Mg, and Mn, while overestimated, had comparatively better performance throughout the year than the other trace metals, which were consistently overestimated, including very large overestimations of Al (380%, Ti (370% and Si (470% in the fall. An underestimation of nighttime mixing in the urban areas appears to contribute to the overestimation of

  13. NETS - A NEURAL NETWORK DEVELOPMENT TOOL, VERSION 3.0 (MACINTOSH VERSION)

    Science.gov (United States)

    Phillips, T. A.

    1994-01-01

    NETS, A Tool for the Development and Evaluation of Neural Networks, provides a simulation of Neural Network algorithms plus an environment for developing such algorithms. Neural Networks are a class of systems modeled after the human brain. Artificial Neural Networks are formed from hundreds or thousands of simulated neurons, connected to each other in a manner similar to brain neurons. Problems which involve pattern matching readily fit the class of problems which NETS is designed to solve. NETS uses the back propagation learning method for all of the networks which it creates. The nodes of a network are usually grouped together into clumps called layers. Generally, a network will have an input layer through which the various environment stimuli are presented to the network, and an output layer for determining the network's response. The number of nodes in these two layers is usually tied to some features of the problem being solved. Other layers, which form intermediate stops between the input and output layers, are called hidden layers. NETS allows the user to customize the patterns of connections between layers of a network. NETS also provides features for saving the weight values of a network during the learning process, which allows for more precise control over the learning process. NETS is an interpreter. Its method of execution is the familiar "read-evaluate-print" loop found in interpreted languages such as BASIC and LISP. The user is presented with a prompt which is the simulator's way of asking for input. After a command is issued, NETS will attempt to evaluate the command, which may produce more prompts requesting specific information or an error if the command is not understood. The typical process involved when using NETS consists of translating the problem into a format which uses input/output pairs, designing a network configuration for the problem, and finally training the network with input/output pairs until an acceptable error is reached. NETS

  14. QMM – A Quarterly Macroeconomic Model of the Icelandic Economy. Version 2.0

    DEFF Research Database (Denmark)

    Ólafsson, Tjörvi

    This paper documents and describes Version 2.0 of the Quarterly Macroeconomic Model of the Central Bank of Iceland (QMM). QMM and the underlying quarterly database have been under construction since 2001 at the Research and Forecasting Division of the Economics Department at the Bank and was first...... implemented in the forecasting round for the Monetary Bulletin 2006/1 in March 2006. QMM is used by the Bank for forecasting and various policy simulations and therefore plays a key role as an organisational framework for viewing the medium-term future when formulating monetary policy at the Bank. This paper...

  15. A mathematical model of bacteria capable of complete oxidation of ammonium predicts improved nitrogen removal and reduced production of nitrous oxide

    OpenAIRE

    Pokhilko, Alexandra; Ebenhöh, Oliver

    2017-01-01

    The removal of excess nutrients\\ud from water ecosystems requires oxidation of toxic\\ud ammonium by two types of bacteria; one oxidizes\\ud ammonium to nitrite and the other oxidizes nitrite\\ud to nitrate. The oxidation of ammonium is often\\ud incomplete and nitrite accumulates. Nitrite is also\\ud toxic, and is converted by the ammoniumoxidizing\\ud bacteria to nitrous oxide, a powerful\\ud greenhouse gas. Here we use mathematical\\ud modeling to analyze a potential solution to the\\ud problems re...

  16. LERC-SLAM - THE NASA LEWIS RESEARCH CENTER SATELLITE LINK ATTENUATION MODEL PROGRAM (IBM PC VERSION)

    Science.gov (United States)

    Manning, R. M.

    1994-01-01

    The frequency and intensity of rain attenuation affecting the communication between a satellite and an earth terminal is an important consideration in planning satellite links. The NASA Lewis Research Center Satellite Link Attenuation Model Program (LeRC-SLAM) provides a static and dynamic statistical assessment of the impact of rain attenuation on a communications link established between an earth terminal and a geosynchronous satellite. The program is designed for use in the specification, design and assessment of satellite links for any terminal location in the continental United States. The basis for LeRC-SLAM is the ACTS Rain Attenuation Prediction Model, which uses a log-normal cumulative probability distribution to describe the random process of rain attenuation on satellite links. The derivation of the statistics for the rainrate process at the specified terminal location relies on long term rainfall records compiled by the U.S. Weather Service during time periods of up to 55 years in length. The theory of extreme value statistics is also utilized. The user provides 1) the longitudinal position of the satellite in geosynchronous orbit, 2) the geographical position of the earth terminal in terms of latitude and longitude, 3) the height above sea level of the terminal site, 4) the yearly average rainfall at the terminal site, and 5) the operating frequency of the communications link (within 1 to 1000 GHz, inclusive). Based on the yearly average rainfall at the terminal location, LeRC-SLAM calculates the relevant rain statistics for the site using an internal data base. The program then generates rain attenuation data for the satellite link. This data includes a description of the static (i.e., yearly) attenuation process, an evaluation of the cumulative probability distribution for attenuation effects, and an evaluation of the probability of fades below selected fade depths. In addition, LeRC-SLAM calculates the elevation and azimuth angles of the terminal

  17. Transgenic Mouse Model for Reducing Oxidative Damage in Bone

    Science.gov (United States)

    Schreurs, Ann-Sofie; Torres, S.; Truong, T.; Moyer, E. L.; Kumar, A.; Tahimic, Candice C. G.; Alwood, J. S.; Limoli, C. L.; Globus, R. K.

    2016-01-01

    Bone loss can occur due to many challenges such age, radiation, microgravity, and Reactive Oxygen Species (ROS) play a critical role in bone resorption by osteoclasts (Bartell et al. 2014). We hypothesize that suppression of excess ROS in skeletal cells, both osteoblasts and osteoclasts, regulates skeletal growth and remodeling. To test our hypothesis, we used transgenic mCAT mice which overexpress the human anti-oxidant catalase gene targeted to the mitochondria, the main site for endogenous ROS production. mCAT mice have a longer life-span than wildtype controls and have been used to study various age-related disorders. To stimulate remodeling, 16 week old mCAT mice or wildtype mice were exposed to treatment (hindlimb-unloading and total body-irradiation) or sham treatment conditions (control). Tissues were harvested 2 weeks later for skeletal analysis (microcomputed tomography), biochemical analysis (gene expression and oxidative damage measurements), and ex vivo bone marrow derived cell culture (osteoblastogenesis and osteoclastogenesis). mCAT mice expressed the transgene and displayed elevated catalase activity in skeletal tissue and marrow-derived osteoblasts and osteoclasts grown ex vivo. In addition, when challenged with treatment, bone tissues from wildtype mice showed elevated levels of malondialdehyde (MDA), indicating oxidative damage) whereas mCAT mice did not. Correlation analysis revealed that increased catalase activity significantly correlated with decreased MDA levels and that increased oxidative damage correlated with decreased percent bone volume (BVTV). In addition, ex-vivo cultured osteoblast colony growth correlated with catalase activity in the osteoblasts. Thus, we showed that these transgenic mice can be used as a model to study the relationship between markers of oxidative damage and skeletal properties. mCAT mice displayed reduced BVTV and trabecular number relative to wildtype mice, as well as increased structural model index in the

  18. Update of the Polar SWIFT model for polar stratospheric ozone loss (Polar SWIFT version 2)

    Science.gov (United States)

    Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

    2017-07-01

    The Polar SWIFT model is a fast scheme for calculating the chemistry of stratospheric ozone depletion in polar winter. It is intended for use in global climate models (GCMs) and Earth system models (ESMs) to enable the simulation of mutual interactions between the ozone layer and climate. To date, climate models often use prescribed ozone fields, since a full stratospheric chemistry scheme is computationally very expensive. Polar SWIFT is based on a set of coupled differential equations, which simulate the polar vortex-averaged mixing ratios of the key species involved in polar ozone depletion on a given vertical level. These species are O3, chemically active chlorine (ClOx), HCl, ClONO2 and HNO3. The only external input parameters that drive the model are the fraction of the polar vortex in sunlight and the fraction of the polar vortex below the temperatures necessary for the formation of polar stratospheric clouds. Here, we present an update of the Polar SWIFT model introducing several improvements over the original model formulation. In particular, the model is now trained on vortex-averaged reaction rates of the ATLAS Chemistry and Transport Model, which enables a detailed look at individual processes and an independent validation of the different parameterizations contained in the differential equations. The training of the original Polar SWIFT model was based on fitting complete model runs to satellite observations and did not allow for this. A revised formulation of the system of differential equations is developed, which closely fits vortex-averaged reaction rates from ATLAS that represent the main chemical processes influencing ozone. In addition, a parameterization for the HNO3 change by denitrification is included. The rates of change of the concentrations of the chemical species of the Polar SWIFT model are purely chemical rates of change in the new version, whereas in the original Polar SWIFT model, they included a transport effect caused by the

  19. Hydrogeochemical evaluation for Simpevarp model version 1.2. Preliminary site description of the Simpevarp area

    International Nuclear Information System (INIS)

    Laaksoharju, Marcus

    2004-12-01

    Siting studies for SKB's programme of deep geological disposal of nuclear fuel waste currently involves the investigation of two locations, Simpevarp and Forsmark, to determine their geological, hydrogeochemical and hydrogeological characteristics. Present work completed has resulted in Model version 1.2 which represents the second evaluation of the available Simpevarp groundwater analytical data collected up to April, 2004. The deepest fracture groundwater samples with sufficient analytical data reflected depths down to 1.7 km. Model version 1.2 focusses on geochemical and mixing processes affecting the groundwater composition in the uppermost part of the bedrock, down to repository levels, and eventually extending to 1000 m depth. The groundwater flow regimes at Laxemar/Simpevarp are considered local and extend down to depths of around 600-1000 m depending on local topography. The marked differences in the groundwater flow regimes between Laxemar and Simpevarp are reflected in the groundwater chemistry where four major hydrochemical groups of groundwaters (types A-D) have been identified: TYPE A: This type comprises dilute groundwaters ( 3 type present at shallow ( 300 m) levels at Simpevarp, and at even greater depths (approx. 1200 m) at Laxemar. At Simpevarp the groundwaters are mainly Na-Ca-Cl with increasingly enhanced Br and SO 4 with depth. At Laxemar they are mainly Ca-Na-Cl also with increasing enhancements of Br and SO 4 with depth. Main reactions involve ion exchange (Ca). At both sites a glacial component and a deep saline component are present. At Simpevarp the saline component may be potentially non marine and/or non-marine/old Littorina marine in origin; at Laxemar it is more likely to be non-marine in origin. TYPE D: This type comprises reducing highly saline groundwaters (> 20 000 mg/L Cl; to a maximum of ∼70 g/L TDS) and only has been identified at Laxemar at depths exceeding 1200 m. It is mainly Ca-Na-Cl with higher Br but lower SO 4 compared

  20. Global Historical Climatology Network (GHCN), Version 1 (Version Superseded)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Please note, this dataset has been superseded by a newer version (see below). Users should not use this version except in rare cases (e.g., when reproducing previous...

  1. Oxidative stress of crystalline lens in rat menopausal model.

    Science.gov (United States)

    Acer, Semra; Pekel, Gökhan; Küçükatay, Vural; Karabulut, Aysun; Yağcı, Ramazan; Çetin, Ebru Nevin; Akyer, Şahika Pınar; Şahin, Barbaros

    2016-01-01

    To evaluate lenticular oxidative stress in rat menopausal models. Forty Wistar female albino rats were included in this study. A total of thirty rats underwent oophorectomy to generate a menopausal model. Ten rats that did not undergo oophorectomy formed the control group (Group 1). From the rats that underwent oophorectomy, 10 formed the menopause control group (Group 2), 10 were administered a daily injection of methylprednisolone until the end of the study (Group 3), and the remaining 10 rats were administered intraperitoneal streptozocin to induce diabetes mellitus (Group 4). Total oxidant status (TOS), total antioxidant capacity (TAC), and oxidative stress index (OSI) measurements of the crystalline lenses were analyzed. The mean OSI was the lowest in group 1 and highest in group 4. Nevertheless, the difference between the groups was not statistically significant in terms of OSI (p >0.05). The mean TOS values were similar between the groups (p >0.05), whereas the mean TAC of group 1 was significantly higher than that of the other groups (p <0.001). Our results indicate that menopause may not promote cataract formation.

  2. Validation of the malaysian versions of parents and children health survey for asthma by using rasch-model.

    Science.gov (United States)

    Hussein, Maryam Se; Akram, Waqas; Mamat, Mohd Nor; Majeed, Abu Bakar Abdul; Ismail, Nahlah Elkudssiah Binti

    2015-04-01

    In recent years, health-related quality of life (HRQOL) has become an important outcome measure in epidemiologic studies and clinical trials. For patients with asthma there are many instruments but most of them have been developed in English. With the increase in research project, researchers working in other languages have two options; either to develop a new measure or to translate an already developed measure. Children Health Survey for Asthma is developed by American Academy of Paediatrics which has two versions one for the parents (CHSA) and the other for the child (CHSA-C). However, there is no Malay version of the CHSA or the CHSA-C. The aim of this study was to translate and determine the validity and reliability of the Malaysian versions of Parent and Children Health Survey for Asthma. Questionnaires were translated to Bahasa Malayu using previously established guidelines, data from 180 respondents (asthmatic children and their parent) were analysed using Rasch-Model; as, it is an approach that has been increasingly used in health field and also it explores the performance of each item rather than total set score. The internal consistency was high for the parent questionnaire (CHSA) (reliability score for persons = 0.88 and for items was 0.97), and good for child questionnaire (CHSA-C) (reliability score for persons = 0.83 and for items was 0.94). Also, this study shows that all items measure for both questionnaires (CHSA and CHSA-C) are fitted to Rasch-Model. This study produced questionnaires that are conceptually equivalent to the original, easy to understand for the children and their parents, and good in terms of internal consistency. Because of the questionnaire has two versions one for the child and the other for the parents, they could be used in clinical practice to measure the effect of asthma on the child and their families. This current research had translated two instruments to other language (BahasaMalayu) and evaluated their reliability and

  3. Evaluating four mathematical models for nitrous oxide production by autotrophic ammonia-oxidizing bacteria.

    Science.gov (United States)

    Ni, Bing-Jie; Yuan, Zhiguo; Chandran, Kartik; Vanrolleghem, Peter A; Murthy, Sudhir

    2013-01-01

    There is increasing evidence showing that ammonia-oxidizing bacteria (AOB) are major contributors to N(2)O emissions from wastewater treatment plants (WWTPs). Although the fundamental metabolic pathways for N(2)O production by AOB are now coming to light, the mechanisms responsible for N(2)O production by AOB in WWTP are not fully understood. Mathematical modeling provides a means for testing hypotheses related to mechanisms and triggers for N(2)O emissions in WWTP, and can then also become a tool to support the development of mitigation strategies. This study examined the ability of four mathematical model structures to describe two distinct mechanisms of N(2)O production by AOB. The production mechanisms evaluated are (1) N(2)O as the final product of nitrifier denitrification with NO(2)- as the terminal electron acceptor and (2) N(2)O as a byproduct of incomplete oxidation of hydroxylamine (NH(2)OH) to NO(2)-. The four models were compared based on their ability to predict N(2)O dynamics observed in three mixed culture studies. Short-term batch experimental data were employed to examine model assumptions related to the effects of (1) NH4+ concentration variations, (2) dissolved oxygen (DO) variations, (3) NO(2)- accumulations and (4) NH(2OH as an externally provided substrate. The modeling results demonstrate that all these models can generally describe the NH4+, NO(2)-, and NO(3)- data. However, none of these models were able to reproduce all measured N(2)O data. The results suggest that both the denitrification and NH(2)OH pathways may be involved in N(2)O production and could be kinetically linked by a competition for intracellular reducing equivalents. A unified model capturing both mechanisms and their potential interactions needs to be developed with consideration of physiological complexity. Copyright © 2012 Wiley Periodicals, Inc.

  4. School version of ESTE EU

    International Nuclear Information System (INIS)

    Carny, P.; Suchon, D.; Chyly, M.; Smejkalova, E.; Fabova, V.

    2008-01-01

    ESTE EU is information system and software for radiological impacts assessment to the territory of the country in case of radiation accident inside/outside of the country .The program enables to model dispersion of radioactive clouds in small-scale and meso-scale. The system enables the user to estimate prediction of the source term (release to the atmosphere ) for any point of radiation/nuclear accident in Europe (for any point of the release, but especially for the sites of European power reactors ). The system enables to utilize results of real radiological monitoring in the process of source term estimation. Radiological impacts of release to the atmosphere are modelled and calculated across the Europe and displayed in the geographical information system (GIS). The school version of ESTE EU is intended for students of the universities which are interested in or could work in the field of emergency response, radiological and nuclear accidents, dispersion modelling, radiological impacts calculation and urgent or preventive protective measures implementation. The school version of ESTE EU is planned to be donated to specialized departments of faculties in Slovakia, Czech Republic, etc. System can be fully operated in Slovak, Czech or English language. (authors)

  5. School version of ESTE EU

    International Nuclear Information System (INIS)

    Carny, P.; Suchon, D.; Chyly, M.; Smejkalova, E.; Fabova, V.

    2009-01-01

    ESTE EU is information system and software for radiological impacts assessment to the territory of the country in case of radiation accident inside/outside of the country .The program enables to model dispersion of radioactive clouds in small-scale and meso-scale. The system enables the user to estimate prediction of the source term (release to the atmosphere ) for any point of radiation/nuclear accident in Europe (for any point of the release, but especially for the sites of European power reactors ). The system enables to utilize results of real radiological monitoring in the process of source term estimation. Radiological impacts of release to the atmosphere are modelled and calculated across the Europe and displayed in the geographical information system (GIS). The school version of ESTE EU is intended for students of the universities which are interested in or could work in the field of emergency response, radiological and nuclear accidents, dispersion modelling, radiological impacts calculation and urgent or preventive protective measures implementation. The school version of ESTE EU is planned to be donated to specialized departments of faculties in Slovakia, Czech Republic, etc. System can be fully operated in Slovak, Czech or English language. (authors)

  6. The Mars Climate Database (MCD version 5.2)

    Science.gov (United States)

    Millour, E.; Forget, F.; Spiga, A.; Navarro, T.; Madeleine, J.-B.; Montabone, L.; Pottier, A.; Lefevre, F.; Montmessin, F.; Chaufray, J.-Y.; Lopez-Valverde, M. A.; Gonzalez-Galindo, F.; Lewis, S. R.; Read, P. L.; Huot, J.-P.; Desjean, M.-C.; MCD/GCM development Team

    2015-10-01

    The Mars Climate Database (MCD) is a database of meteorological fields derived from General Circulation Model (GCM) numerical simulations of the Martian atmosphere and validated using available observational data. The MCD includes complementary post-processing schemes such as high spatial resolution interpolation of environmental data and means of reconstructing the variability thereof. We have just completed (March 2015) the generation of a new version of the MCD, MCD version 5.2

  7. HECTR Version 1.5 user's manual

    International Nuclear Information System (INIS)

    Dingman, S.E.; Camp, A.L.; Wong, C.C.; King, D.B.; Gasser, R.D.

    1986-04-01

    This report describes the use and features of HECTR Version 1.5. HECTR is a relatively fast-running, lumped-volume containment analysis computer program that is most useful for performing parametric studies. The main purpose of HECTR is to analyze nuclear reactor accidents involving the transport and combustion of hydrogen, but HECTR can also function as an experiment analysis tool and can solve a limited set of other types of containment problems. New models added to HECTR Version 1.5 include fan coolers, containment leakage, continuous burning, and the capability to treat carbon monoxide and carbon dioxide. Models for the ice condenser, sumps, and Mark III suppression pool were upgraded. HECTR is designed for flexibility and provides for user control of many important parameters, particularly those related to hydrogen combustion. Built-in correlations and default values of key parameters are also provided

  8. USER'S GUIDE TO THE PERSONAL COMPUTER VERSION OF THE BIOGENIC EMISSIONS INVENTORY SYSTEM (PC-BEIS2)

    Science.gov (United States)

    The document is a user's guide for an updated Personal Computer version of the Biogenic Emissions Inventory System (PC-BEIS2), allowing users to estimate hourly emissions of biogenic volatile organic compounds (BVOCs) and soil nitrogen oxide emissions for any county in the contig...

  9. A computationally efficient description of heterogeneous freezing: A simplified version of the Soccer ball model

    Science.gov (United States)

    Niedermeier, Dennis; Ervens, Barbara; Clauss, Tina; Voigtländer, Jens; Wex, Heike; Hartmann, Susan; Stratmann, Frank

    2014-01-01

    In a recent study, the Soccer ball model (SBM) was introduced for modeling and/or parameterizing heterogeneous ice nucleation processes. The model applies classical nucleation theory. It allows for a consistent description of both apparently singular and stochastic ice nucleation behavior, by distributing contact angles over the nucleation sites of a particle population assuming a Gaussian probability density function. The original SBM utilizes the Monte Carlo technique, which hampers its usage in atmospheric models, as fairly time-consuming calculations must be performed to obtain statistically significant results. Thus, we have developed a simplified and computationally more efficient version of the SBM. We successfully used the new SBM to parameterize experimental nucleation data of, e.g., bacterial ice nucleation. Both SBMs give identical results; however, the new model is computationally less expensive as confirmed by cloud parcel simulations. Therefore, it is a suitable tool for describing heterogeneous ice nucleation processes in atmospheric models.

  10. VELMA Ecohydrological Model, Version 2.0 -- Analyzing Green Infrastructure Options for Enhancing Water Quality and Ecosystem Service Co-Benefits

    Science.gov (United States)

    This 2-page factsheet describes an enhanced version (2.0) of the VELMA eco-hydrological model. VELMA – Visualizing Ecosystem Land Management Assessments – has been redesigned to assist communities, land managers, policy makers and other decision makers in evaluataing the effecti...

  11. Modelling the Krebs cycle and oxidative phosphorylation.

    Science.gov (United States)

    Korla, Kalyani; Mitra, Chanchal K

    2014-01-01

    The Krebs cycle and oxidative phosphorylation are the two most important sets of reactions in a eukaryotic cell that meet the major part of the total energy demands of a cell. In this paper, we present a computer simulation of the coupled reactions using open source tools for simulation. We also show that it is possible to model the Krebs cycle with a simple black box with a few inputs and outputs. However, the kinetics of the internal processes has been modelled using numerical tools. We also show that the Krebs cycle and oxidative phosphorylation together can be combined in a similar fashion - a black box with a few inputs and outputs. The Octave script is flexible and customisable for any chosen set-up for this model. In several cases, we had no explicit idea of the underlying reaction mechanism and the rate determining steps involved, and we have used the stoichiometric equations that can be easily changed as and when more detailed information is obtained. The script includes the feedback regulation of the various enzymes of the Krebs cycle. For the electron transport chain, the pH gradient across the membrane is an essential regulator of the kinetics and this has been modelled empirically but fully consistent with experimental results. The initial conditions can be very easily changed and the simulation is potentially very useful in a number of cases of clinical importance.

  12. Online dynamical downscaling of temperature and precipitation within the iLOVECLIM model (version 1.1

    Directory of Open Access Journals (Sweden)

    A. Quiquet

    2018-02-01

    Full Text Available This paper presents the inclusion of an online dynamical downscaling of temperature and precipitation within the model of intermediate complexity iLOVECLIM v1.1. We describe the following methodology to generate temperature and precipitation fields on a 40 km  ×  40 km Cartesian grid of the Northern Hemisphere from the T21 native atmospheric model grid. Our scheme is not grid specific and conserves energy and moisture in the same way as the original climate model. We show that we are able to generate a high-resolution field which presents a spatial variability in better agreement with the observations compared to the standard model. Although the large-scale model biases are not corrected, for selected model parameters, the downscaling can induce a better overall performance compared to the standard version on both the high-resolution grid and on the native grid. Foreseen applications of this new model feature include the improvement of ice sheet model coupling and high-resolution land surface models.

  13. Extended-range prediction trials using the global cloud/cloud-system resolving model NICAM and its new ocean-coupled version NICOCO

    Science.gov (United States)

    Miyakawa, Tomoki

    2017-04-01

    The global cloud/cloud-system resolving model NICAM and its new fully-coupled version NICOCO is run on one of the worlds top-tier supercomputers, the K computer. NICOCO couples the full-3D ocean component COCO of the general circulation model MIROC using a general-purpose coupler Jcup. We carried out multiple MJO simulations using NICAM and the new ocean-coupled version NICOCO to examine their extended-range MJO prediction skills and the impact of ocean coupling. NICAM performs excellently in terms of MJO prediction, maintaining a valid skill up to 27 days after the model is initialized (Miyakawa et al 2014). As is the case in most global models, ocean coupling frees the model from being anchored by the observed SST and allows the model climate to drift away further from reality compared to the atmospheric version of the model. Thus, it is important to evaluate the model bias, and in an initial value problem such as the seasonal extended-range prediction, it is essential to be able to distinguish the actual signal from the early transition of the model from the observed state to its own climatology. Since NICAM is a highly resource-demanding model, evaluation and tuning of the model climatology (order of years) is challenging. Here we focus on the initial 100 days to estimate the early drift of the model, and subsequently evaluate MJO prediction skills of NICOCO. Results show that in the initial 100 days, NICOCO forms a La-Nina like SST bias compared to observation, with a warmer Maritime Continent warm pool and a cooler equatorial central Pacific. The enhanced convection over the Maritime Continent associated with this bias project on to the real-time multi-variate MJO indices (RMM, Wheeler and Hendon 2004), and contaminates the MJO skill score. However, the bias does not appear to demolish the MJO signal severely. The model maintains a valid MJO prediction skill up to nearly 4 weeks when evaluated after linearly removing the early drift component estimated from

  14. Oxidation flow reactors (OFRs): overview of recent field and modeling studies

    Science.gov (United States)

    Jimenez, Jose-Luis; Palm, Brett B.; Peng, Zhe; Hu, Weiwei; Ortega, Amber M.; Li, Rui; Campuzano-Jost, Pedro; Day, Douglas A.; Stark, Harald; Brune, William H.; de Gouw, Joost; Schroder, Jason

    2016-04-01

    Oxidation flow reactors (OFRs) are popular tools for studying SOA formation and aging in both laboratory and field experiments. In an OFR, the concentration of an oxidant (OH, O3, or NO3) can be increased, leading to hours-months of equivalent atmospheric oxidation during the several-minute OFR residence time. Using gas- and particle-phase measurements from several recent field campaigns, we demonstrate SOA formation after oxidation of ambient air in an OFR. Typically, more SOA formation is observed from nighttime air than daytime air. This indicates that the concentration of SOA-forming gases in ambient air is relatively higher at night. Measured ambient VOCs are not able to explain the magnitude of SOA formation in the OFR, suggesting that typically unmeasured S/IVOCs (possibly VOC oxidation products or direct emissions) play a substantial intermediary role in ambient SOA formation. We also present highlights from recent OFR oxidant chemistry modeling studies. HOx, Ox, and photolysis chemistry was modeled for two common OH production methods (utilizing 185+254 nm UV light, or 254 nm only). OH exposure (OHexp) can be estimated within a factor of ~2 using model-derived equations, and can be verified in situ using VOC decay measurements. OHexp is strongly dependent on external OH reactivity, which may cause significant OH suppression in some circumstances (e.g., lab/source studies with high precursor concentrations). UV light photolysis and reaction with oxygen atoms are typically not major reaction pathways. Modeling the fate of condensable low-volatility organic gases (LVOCs) formed in an OFR suggests that LVOC fate is dependent on particle condensational sink. E.g., for the range of particle condensational sink at a remote pine forest, anywhere from 20-80% of produced LVOCs were predicted to condense onto aerosols for an OHexp of ~1 day, with the remainder lost to OFR or sampling line walls. Similar to large chamber wall loss corrections, a correction is needed

  15. Modelling toluene oxidation : Incorporation of mass transfer phenomena

    NARCIS (Netherlands)

    Hoorn, J.A.A.; van Soolingen, J.; Versteeg, G. F.

    The kinetics of the oxidation of toluene have been studied in close interaction with the gas-liquid mass transfer occurring in the reactor. Kinetic parameters for a simple model have been estimated on basis of experimental observations performed under industrial conditions. The conclusions for the

  16. Users' manual for LEHGC: A Lagrangian-Eulerian Finite-Element Model of Hydrogeochemical Transport Through Saturated-Unsaturated Media. Version 1.1

    International Nuclear Information System (INIS)

    Yeh, Gour-Tsyh

    1995-11-01

    The computer program LEHGC is a Hybrid Lagrangian-Eulerian Finite-Element Model of HydroGeo-Chemical (LEHGC) Transport Through Saturated-Unsaturated Media. LEHGC iteratively solves two-dimensional transport and geochemical equilibrium equations and is a descendant of HYDROGEOCHEM, a strictly Eulerian finite-element reactive transport code. The hybrid Lagrangian-Eulerian scheme improves on the Eulerian scheme by allowing larger time steps to be used in the advection-dominant transport calculations. This causes less numerical dispersion and alleviates the problem of calculated negative concentrations at sharp concentration fronts. The code also is more computationally efficient than the strictly Eulerian version. LEHGC is designed for generic application to reactive transport problems associated with contaminant transport in subsurface media. Input to the program includes the geometry of the system, the spatial distribution of finite elements and nodes, the properties of the media, the potential chemical reactions, and the initial and boundary conditions. Output includes the spatial distribution of chemical element concentrations as a function of time and space and the chemical speciation at user-specified nodes. LEHGC Version 1.1 is a modification of LEHGC Version 1.0. The modification includes: (1) devising a tracking algorithm with the computational effort proportional to N where N is the number of computational grid nodes rather than N 2 as in LEHGC Version 1.0, (2) including multiple adsorbing sites and multiple ion-exchange sites, (3) using four preconditioned conjugate gradient methods for the solution of matrix equations, and (4) providing a model for some features of solute transport by colloids

  17. Constraints on Nitrous Oxide emissions within the US Corn Belt using tall tower observations and an Eulerian Modeling Approach

    Science.gov (United States)

    Chen, Z.; Griffis, T. J.; Lee, X.; Fu, C.; Dlugokencky, E. J.; Andrews, A. E.

    2017-12-01

    Mitigation of nitrous oxide (N2O) emissions requires a sound understanding of N2O production processes and a robust estimate of N2O budgets. It is critical to understand how emissions vary spatially and temporally, and how they are likely to change given future climate and land management decisions. To address these challenges we have coupled two models including WRF-Chem version 3.8.1 and CLM-GBC-CROP version 4.5 to simulate retrospective and future N2O emissions for the US Corn Belt. Using 7 years (2010-2016) of N2O mixing ratio data from 6 tall tower sites within the US Midwest, we ran the coupled model at a spatial resolution of 0.125o× 0.125o and tested and optimized the simulation of N2O emissions at hourly, seasonal, and inter-annual timescales. Our preliminary results indicate:1) The simulated tall tower mixing ratios for 6 tall towers were all significantly higher than the observations in the growing seasons, indicating a high bias of N2O emissions when using the default N2O production mechanisms in CLM. 2) Following the optimization of N2O production in CLM, the simulated tall tower mixing ratios were strongly correlated with the KCMP and WBI towers, and had moderate correlation with the BAO tower. Overall, the absolute biases in mixing ratios were relatively small. Our next step is to examine 7 years of simulations to assess the spatiotemporal variations of direct and indirect emissions within the US Corn Belt to help identify potential N2O hotspots and hot moments.

  18. Study of thin metal films and oxide materials for nanoelectronics applications

    OpenAIRE

    De Los Santos Valladares, Luis

    2012-01-01

    Appendix A Pages 132-134 have been removed from this online version of the thesis for publisher copyright reasons. These had contained page images from the cover of Nanotechnology, Vol. 21, Nov 2010 and its corresponding web alert Different types of thin metal films and oxide materials are studied for their potential application in nanoelectronics: gold and copper films, nickel nanoelectrodes, oxide nanograin superconductors, carboxyl ferromagnetic microspheres and graphene oxide...

  19. NETS - A NEURAL NETWORK DEVELOPMENT TOOL, VERSION 3.0 (MACHINE INDEPENDENT VERSION)

    Science.gov (United States)

    Baffes, P. T.

    1994-01-01

    NETS, A Tool for the Development and Evaluation of Neural Networks, provides a simulation of Neural Network algorithms plus an environment for developing such algorithms. Neural Networks are a class of systems modeled after the human brain. Artificial Neural Networks are formed from hundreds or thousands of simulated neurons, connected to each other in a manner similar to brain neurons. Problems which involve pattern matching readily fit the class of problems which NETS is designed to solve. NETS uses the back propagation learning method for all of the networks which it creates. The nodes of a network are usually grouped together into clumps called layers. Generally, a network will have an input layer through which the various environment stimuli are presented to the network, and an output layer for determining the network's response. The number of nodes in these two layers is usually tied to some features of the problem being solved. Other layers, which form intermediate stops between the input and output layers, are called hidden layers. NETS allows the user to customize the patterns of connections between layers of a network. NETS also provides features for saving the weight values of a network during the learning process, which allows for more precise control over the learning process. NETS is an interpreter. Its method of execution is the familiar "read-evaluate-print" loop found in interpreted languages such as BASIC and LISP. The user is presented with a prompt which is the simulator's way of asking for input. After a command is issued, NETS will attempt to evaluate the command, which may produce more prompts requesting specific information or an error if the command is not understood. The typical process involved when using NETS consists of translating the problem into a format which uses input/output pairs, designing a network configuration for the problem, and finally training the network with input/output pairs until an acceptable error is reached. NETS

  20. A NetCDF version of the two-dimensional energy balance model based on the full multigrid algorithm

    Directory of Open Access Journals (Sweden)

    Kelin Zhuang

    2017-01-01

    Full Text Available A NetCDF version of the two-dimensional energy balance model based on the full multigrid method in Fortran is introduced for both pedagogical and research purposes. Based on the land–sea–ice distribution, orbital elements, greenhouse gases concentration, and albedo, the code calculates the global seasonal surface temperature. A step-by-step guide with examples is provided for practice.

  1. A NetCDF version of the two-dimensional energy balance model based on the full multigrid algorithm

    Science.gov (United States)

    Zhuang, Kelin; North, Gerald R.; Stevens, Mark J.

    A NetCDF version of the two-dimensional energy balance model based on the full multigrid method in Fortran is introduced for both pedagogical and research purposes. Based on the land-sea-ice distribution, orbital elements, greenhouse gases concentration, and albedo, the code calculates the global seasonal surface temperature. A step-by-step guide with examples is provided for practice.

  2. FASTDART - A fast, accurate and friendly version of DART code

    International Nuclear Information System (INIS)

    Rest, Jeffrey; Taboada, Horacio

    2000-01-01

    A new enhanced, visual version of DART code is presented. DART is a mechanistic model based code, developed for the performance calculation and assessment of aluminum dispersion fuel. Major issues of this new version are the development of a new, time saving calculation routine, able to be run on PC, a friendly visual input interface and a plotting facility. This version, available for silicide and U-Mo fuels, adds to the classical accuracy of DART models for fuel performance prediction, a faster execution and visual interfaces. It is part of a collaboration agreement between ANL and CNEA in the area of Low Enriched Uranium Advanced Fuels, held by the Implementation Arrangement for Technical Exchange and Cooperation in the Area of Peaceful Uses of Nuclear Energy. (author)

  3. LG Solid Oxide Fuel Cell (SOFC) Model Development

    Energy Technology Data Exchange (ETDEWEB)

    Haberman, Ben [LG Fuel Cell Systems Inc., North Canton, OH (United States); Martinez-Baca, Carlos [LG Fuel Cell Systems Inc., North Canton, OH (United States); Rush, Greg [LG Fuel Cell Systems Inc., North Canton, OH (United States)

    2013-05-31

    This report presents a summary of the work performed by LG Fuel Cell Systems Inc. during the project LG Solid Oxide Fuel Cell (SOFC) Model Development (DOE Award Number: DE-FE0000773) which commenced on October 1, 2009 and was completed on March 31, 2013. The aim of this project is for LG Fuel Cell Systems Inc. (formerly known as Rolls-Royce Fuel Cell Systems (US) Inc.) (LGFCS) to develop a multi-physics solid oxide fuel cell (SOFC) computer code (MPC) for performance calculations of the LGFCS fuel cell structure to support fuel cell product design and development. A summary of the initial stages of the project is provided which describes the MPC requirements that were developed and the selection of a candidate code, STAR-CCM+ (CD-adapco). This is followed by a detailed description of the subsequent work program including code enhancement and model verification and validation activities. Details of the code enhancements that were implemented to facilitate MPC SOFC simulations are provided along with a description of the models that were built using the MPC and validated against experimental data. The modeling work described in this report represents a level of calculation detail that has not been previously available within LGFCS.

  4. A conceptual and calculational model for gas formation from impure calcined plutonium oxides

    International Nuclear Information System (INIS)

    Lyman, John L.; Eller, P. Gary

    2000-01-01

    Safe transport and storage of pure and impure plutonium oxides requires an understanding of processes that may generate or consume gases in a confined storage vessel. We have formulated conceptual and calculational models for gas formation from calcined materials. The conceptual model for impure calcined plutonium oxides is based on the data collected to date

  5. Finite element analysis of the Girkmann problem using the modern hp-version and the classical h-version

    KAUST Repository

    Niemi, Antti; Babuška, Ivo M.; Pitkä ranta, Juhani; Demkowicz, Leszek F.

    2011-01-01

    elasticity theory and (2) by using a dimensionally reduced shell-ring model. In the first approach the problem is solved with a fully automatic hp-adaptive finite element solver whereas the classical h-version of the finite element method is used

  6. User's Manual for LEWICE Version 3.2

    Science.gov (United States)

    Wright, William

    2008-01-01

    A research project is underway at NASA Glenn to produce a computer code which can accurately predict ice growth under a wide range of meteorological conditions for any aircraft surface. This report will present a description of the code inputs and outputs from version 3.2 of this software, which is called LEWICE. This version differs from release 2.0 due to the addition of advanced thermal analysis capabilities for de-icing and anti-icing applications using electrothermal heaters or bleed air applications, the addition of automated Navier-Stokes analysis, an empirical model for supercooled large droplets (SLD) and a pneumatic boot option. An extensive effort was also undertaken to compare the results against the database of electrothermal results which have been generated in the NASA Glenn Icing Research Tunnel (IRT) as was performed for the validation effort for version 2.0. This report will primarily describe the features of the software related to the use of the program. Appendix A has been included to list some of the inner workings of the software or the physical models used. This information is also available in the form of several unpublished documents internal to NASA. This report is intended as a replacement for all previous user manuals of LEWICE. In addition to describing the changes and improvements made for this version, information from previous manuals may be duplicated so that the user will not need to consult previous manuals to use this software.

  7. Modelling of Zircaloy-steam-oxidation under severe fuel damage conditions

    International Nuclear Information System (INIS)

    Malang, S.; Neitzel, H.J.

    1983-01-01

    Small break loss-of-coolant accidents and special transients in an LWR, in combination with loss of required safety systems, may lead to an uncovered core for an extended period of time. As a consequence, the cladding temperature could rise up to the melting point due to the decay heat, resulting in severely damaged fuel rods. During heat-up the claddings oxidize due to oxygen uptake from the steam atmosphere in the core. The modeling and assessment of the Zircaloy-steam oxidation under such conditions is important, mainly for two reasons: The oxidation of the cladding influences the temperature transients due to the exothermic heat of reaction; the amount of liquified fuel depends on the oxide layer thickness and the oxygen content of the remaining Zircaloy metal when the melting point is reached. (author)

  8. A model for the release of low-volatility fission products in oxidizing conditions

    International Nuclear Information System (INIS)

    Cox, D.S.; Hunt, C.E.L.; Liu, Z.; Keller, N.A.; Barrand, R.D.; O'Connor, R.F.

    1991-07-01

    A thermodynamic and kinetic model has been developed for calculating low-volatility fission-product releases from UO 2 at high temperatures in oxidizing conditions. Volatilization of the UO 2 matrix is assumed to be the rate controlling process. Oxidation kinetics of the UO 2 are modelled by either interfacial rate control, gas phase oxidant transport control, or solid-state diffusion of oxygen. The vapour pressure of UO 3 in equilibrium with the oxidizing fuel is calculated from thermodynamic data, and volatilization rates are determined using a model for forced convective mass transport. Low-volatility fission-product releases are calculated from the volume of vapourized fuel. Model calculations are conservative compared to experimental data for Zr, La, Ce and Nb fission-product releases from irradiated UO 2 exposed to air at 1973-2350 K. The implications of this conservatism are discussed in terms of possible rate control by processes other than convective mass transport of UO 3 . Coefficients for effective surface area (based on experimental data) and for heterogeneous rate controlling reaction kinetics are introduced to facilitate agreement between calculations and the experimental data.

  9. The Community WRF-Hydro Modeling System Version 4 Updates: Merging Toward Capabilities of the National Water Model

    Science.gov (United States)

    McAllister, M.; Gochis, D.; Dugger, A. L.; Karsten, L. R.; McCreight, J. L.; Pan, L.; Rafieeinasab, A.; Read, L. K.; Sampson, K. M.; Yu, W.

    2017-12-01

    The community WRF-Hydro modeling system is publicly available and provides researchers and operational forecasters a flexible and extensible capability for performing multi-scale, multi-physics options for hydrologic modeling that can be run independent or fully-interactive with the WRF atmospheric model. The core WRF-Hydro physics model contains very high-resolution descriptions of terrestrial hydrologic process representations such as land-atmosphere exchanges of energy and moisture, snowpack evolution, infiltration, terrain routing, channel routing, basic reservoir representation and hydrologic data assimilation. Complementing the core physics components of WRF-Hydro are an ecosystem of pre- and post-processing tools that facilitate the preparation of terrain and meteorological input data, an open-source hydrologic model evaluation toolset (Rwrfhydro), hydrologic data assimilation capabilities with DART and advanced model visualization capabilities. The National Center for Atmospheric Research (NCAR), through collaborative support from the National Science Foundation and other funding partners, provides community support for the entire WRF-Hydro system through a variety of mechanisms. This presentation summarizes the enhanced user support capabilities that are being developed for the community WRF-Hydro modeling system. These products and services include a new website, open-source code repositories, documentation and user guides, test cases, online training materials, live, hands-on training sessions, an email list serve, and individual user support via email through a new help desk ticketing system. The WRF-Hydro modeling system and supporting tools which now include re-gridding scripts and model calibration have recently been updated to Version 4 and are merging toward capabilities of the National Water Model.

  10. Recent development of BOA version 3

    International Nuclear Information System (INIS)

    Deshon, J.; Hussey, D.; Westacott, J.; Young, M.; Secker, J.; Epperson, K.; McGurk, J.; Henshaw, J.

    2010-01-01

    BOA is the EPRI code developed to help understand material transport issues in PWR systems. In particular, BOA was developed to investigate the problem of crud induced power shifts (CIPS) or axial offset anomalies (AOA) that are related to crud accumulation on fuel clad and the subsequent uptake of boron within this crud. Over the last few years significant developments of BOA have taken place; these include new models for release and deposition of soluble and particulate material as well as new models for boron capture in the crud. The new version of BOA (version 3), as well as predicting the extent of AOA a plant might expect during a cycle, also predicts soluble and particulate Ni/Fe levels in the coolant, end of cycle Ni shut-down releases and the relative amounts of Ni/Fe within the fuel crud. The model is being validated against plant data and this paper briefly discusses the recent developments, the fundamental scientific basis for these changes and some of the validation studies. (author)

  11. The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques.

    Science.gov (United States)

    Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong; Pan, Min

    2017-09-28

    Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R² > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X₂Cd) at low pH and inner-sphere surface complexation sites (SOCd⁺ and (SO)₂CdOH - species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water-mineral interface.

  12. The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques

    Science.gov (United States)

    Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong

    2017-01-01

    Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R2 > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X2Cd) at low pH and inner-sphere surface complexation sites (SOCd+ and (SO)2CdOH− species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water–mineral interface. PMID:28956849

  13. An Improved Version of TOPAZ 3D

    International Nuclear Information System (INIS)

    Krasnykh, Anatoly

    2003-01-01

    An improved version of the TOPAZ 3D gun code is presented as a powerful tool for beam optics simulation. In contrast to the previous version of TOPAZ 3D, the geometry of the device under test is introduced into TOPAZ 3D directly from a CAD program, such as Solid Edge or AutoCAD. In order to have this new feature, an interface was developed, using the GiD software package as a meshing code. The article describes this method with two models to illustrate the results

  14. Trigonometric version of quantum–classical duality in integrable systems

    Directory of Open Access Journals (Sweden)

    M. Beketov

    2016-02-01

    Full Text Available We extend the quantum–classical duality to the trigonometric (hyperbolic case. The duality establishes an explicit relationship between the classical N-body trigonometric Ruijsenaars–Schneider model and the inhomogeneous twisted XXZ spin chain on N sites. Similarly to the rational version, the spin chain data fixes a certain Lagrangian submanifold in the phase space of the classical integrable system. The inhomogeneity parameters are equal to the coordinates of particles while the velocities of classical particles are proportional to the eigenvalues of the spin chain Hamiltonians (residues of the properly normalized transfer matrix. In the rational version of the duality, the action variables of the Ruijsenaars–Schneider model are equal to the twist parameters with some multiplicities defined by quantum (occupation numbers. In contrast to the rational version, in the trigonometric case there is a splitting of the spectrum of action variables (eigenvalues of the classical Lax matrix. The limit corresponding to the classical Calogero–Sutherland system and quantum trigonometric Gaudin model is also described as well as the XX limit to free fermions.

  15. Trigonometric version of quantum–classical duality in integrable systems

    Energy Technology Data Exchange (ETDEWEB)

    Beketov, M., E-mail: beketov@phystech.edu [MIPT, Inststitutskii per. 9, 141700, Dolgoprudny, Moscow region (Russian Federation); Liashyk, A., E-mail: a.liashyk@gmail.com [National Research University Higher School of Economics, Myasnitskaya str. 20, 101000, Moscow (Russian Federation); BITP, Metrolohichna str. 14-b, 03680, Kiev (Ukraine); Zabrodin, A., E-mail: zabrodin@itep.ru [National Research University Higher School of Economics, Myasnitskaya str. 20, 101000, Moscow (Russian Federation); Institute of Biochemical Physics, Kosygina str. 4, 119991, Moscow (Russian Federation); ITEP, Bolshaya Cheremushkinskaya str. 25, 117218, Moscow (Russian Federation); Zotov, A., E-mail: zotov@mi.ras.ru [Steklov Mathematical Institute, RAS, Gubkina str. 8, 119991, Moscow (Russian Federation); ITEP, Bolshaya Cheremushkinskaya str. 25, 117218, Moscow (Russian Federation); MIPT, Inststitutskii per. 9, 141700, Dolgoprudny, Moscow region (Russian Federation)

    2016-02-15

    We extend the quantum–classical duality to the trigonometric (hyperbolic) case. The duality establishes an explicit relationship between the classical N-body trigonometric Ruijsenaars–Schneider model and the inhomogeneous twisted XXZ spin chain on N sites. Similarly to the rational version, the spin chain data fixes a certain Lagrangian submanifold in the phase space of the classical integrable system. The inhomogeneity parameters are equal to the coordinates of particles while the velocities of classical particles are proportional to the eigenvalues of the spin chain Hamiltonians (residues of the properly normalized transfer matrix). In the rational version of the duality, the action variables of the Ruijsenaars–Schneider model are equal to the twist parameters with some multiplicities defined by quantum (occupation) numbers. In contrast to the rational version, in the trigonometric case there is a splitting of the spectrum of action variables (eigenvalues of the classical Lax matrix). The limit corresponding to the classical Calogero–Sutherland system and quantum trigonometric Gaudin model is also described as well as the XX limit to free fermions.

  16. Updates to the Demographic and Spatial Allocation Models to Produce Integrated Climate and Land Use Scenarios (ICLUS) (Version 2) (External Review Draft)

    Science.gov (United States)

    EPA announced the availability of the draft report, Updates to the Demographic and Spatial Allocation Models to Produce Integrated Climate and Land Use Scenarios (ICLUS) for a 30-day public comment period. The ICLUS version 2 (v2) modeling tool furthered land change mod...

  17. Mathematical modelling of the kinetics of aerosol oxidation of sulfur dioxide upon electron-beam purification of power-plant flue gases from nitrogen and sulfur oxides

    International Nuclear Information System (INIS)

    Gerasimov, G.Ya.; Gerasimova, T.S.; Fadeev, S.A.

    1996-01-01

    A kinetic model of SO 2 oxidation in flue gases, irradiated with accelerated electron flux is proposed. The model comprises an optimized mechanism of gas phase radiation chemical oxidation of NO and SO 2 , kinetics circuit of SO 2 and NH 3 thermal interaction, kinetic models of volumetric condensation of water and sulfuric acid vapors and liquid-phase oxidation of SO 2 in aerosol drops, produced in the course of volumetric condensation. Calculation results are in a satisfactory agreement with experimental data. (author)

  18. Oxidative stress of crystalline lens in rat menopausal model

    Directory of Open Access Journals (Sweden)

    Semra Acer

    Full Text Available ABSTRACT Purpose: To evaluate lenticular oxidative stress in rat menopausal models. Methods: Forty Wistar female albino rats were included in this study. A total of thirty rats underwent oophorectomy to generate a menopausal model. Ten rats that did not undergo oophorectomy formed the control group (Group 1. From the rats that underwent oophorectomy, 10 formed the menopause control group (Group 2, 10 were administered a daily injection of methylprednisolone until the end of the study (Group 3, and the remaining 10 rats were administered intraperitoneal streptozocin to induce diabetes mellitus (Group 4. Total oxidant status (TOS, total antioxidant capacity (TAC, and oxidative stress index (OSI measurements of the crystalline lenses were analyzed. Results: The mean OSI was the lowest in group 1 and highest in group 4. Nevertheless, the difference between the groups was not statistically significant in terms of OSI (p >0.05. The mean TOS values were similar between the groups (p >0.05, whereas the mean TAC of group 1 was significantly higher than that of the other groups (p <0.001. Conclusions: Our results indicate that menopause may not promote cataract formation.

  19. A new version of the event generator Sibyll

    CERN Document Server

    Riehn, Felix; Fedynitch, Anatoli; Gaisser, Thomas K.; Stanev, Todor

    2016-01-01

    The event generator Sibyll can be used for the simulation of hadronic multiparticle production up to the highest cosmic ray energies. It is optimized for providing an economic description of those aspects of the expected hadronic final states that are needed for the calculation of air showers and atmospheric lepton fluxes. New measurements from fixed target and collider experiments, in particular those at LHC, allow us to test the predictive power of the model version 2.1, which was released more than 10 years ago, and also to identify shortcomings. Based on a detailed comparison of the model predictions with the new data we revisit model assumptions and approximations to obtain an improved version of the interaction model. In addition a phenomenological model for the production of charm particles is implemented as needed for the calculation of prompt lepton fluxes in the energy range of the astrophysical neutrinos recently discovered by IceCube. After giving an overview of the new ideas implemented in Sibyll...

  20. Kinetic modeling of low density lipoprotein oxidation in arterial wall and its application in atherosclerotic lesions prediction.

    Science.gov (United States)

    Karimi, Safoora; Dadvar, Mitra; Modarress, Hamid; Dabir, Bahram

    2013-01-01

    Oxidation of low-density lipoprotein (LDL) is one of the major factors in atherogenic process. Trapped oxidized LDL (Ox-LDL) in the subendothelial matrix is taken up by macrophage and leads to foam cell generation creating the first step in atherosclerosis development. Many researchers have studied LDL oxidation using in vitro cell-induced LDL oxidation model. The present study provides a kinetic model for LDL oxidation in intima layer that can be used in modeling of atherosclerotic lesions development. This is accomplished by considering lipid peroxidation kinetic in LDL through a system of elementary reactions. In comparison, characteristics of our proposed kinetic model are consistent with the results of previous experimental models from other researches. Furthermore, our proposed LDL oxidation model is added to the mass transfer equation in order to predict the LDL concentration distribution in intima layer which is usually difficult to measure experimentally. According to the results, LDL oxidation kinetic constant is an important parameter that affects LDL concentration in intima layer so that existence of antioxidants that is responsible for the reduction of initiating rates and prevention of radical formations, have increased the concentration of LDL in intima by reducing the LDL oxidation rate. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  1. Reliability and Construct Validity of Two Versions of Chalder Fatigue Scale among the General Population in Mainland China

    Directory of Open Access Journals (Sweden)

    Meng-Juan Jing

    2016-01-01

    Full Text Available The 14-item Chalder Fatigue Scale (CFS is widely used, while the 11-item version is seldom to be found in current research in mainland China. The objectives of the present study is to compare the reliability and construct validity between these two versions and to confirm which may be better for the mainland Chinese setting. Based on a cross-sectional health survey with a constructive questionnaire, 1887 individuals aged 18 years or above were selected. Socio-demographic, health-related, gynecological data were collected, and 11-item and 14-item Chalder Fatigue Scale (CFS were used to assess fatigue. Confirmatory factor analysis and exploratory structural equation modeling (ESEM were performed to test the fit of models of the two versions. Confirmatory factor analysis of the two versions of CFS did not support the two-factor theorized models. In addition, a three-factor ESEM model of the 11-item version, but not the 14-item version, showed better factor structure and fitness than the other models examined. Both the versions had good internal consistency reliability and a satisfactory internal consistency (Ω = 0.78–0.96, omega coefficient indicates the internal consistency reliability was obtained from the optimal model. This study provided evidence for satisfactory reliability and structural validity for the three-factor model of the 11-item version, which was proven to be superior to the 14-item version for this data.

  2. Performance of advanced self-shielding models in DRAGON Version4 on analysis of a high conversion light water reactor lattice

    International Nuclear Information System (INIS)

    Karthikeyan, Ramamoorthy; Hebert, Alain

    2008-01-01

    A high conversion light water reactor lattice has been analysed using the code DRAGON Version4. This analysis was performed to test the performance of the advanced self-shielding models incorporated in DRAGON Version4. The self-shielding models are broadly classified into two groups - 'equivalence in dilution' and 'subgroup approach'. Under the 'equivalence in dilution' approach we have analysed the generalized Stamm'ler model with and without Nordheim model and Riemann integration. These models have been analysed also using the Livolant-Jeanpierre normalization. Under the 'subgroup approach', we have analysed Statistical self-shielding model based on physical probability tables and Ribon extended self-shielding model based on mathematical probability tables. This analysis will help in understanding the performance of advanced self-shielding models for a lattice that is tight and has a large fraction of fissions happening in the resonance region. The nuclear data for the analysis was generated in-house. NJOY99.90 was used for generating libraries in DRAGLIB format for analysis using DRAGON and A Compact ENDF libraries for analysis using MCNP5. The evaluated datafiles were chosen based on the recommendations of the IAEA Co-ordinated Research Project on the WIMS Library Update Project. The reference solution for the problem was obtained using Monte Carlo code MCNP5. It was found that the Ribon extended self-shielding model based on mathematical probability tables using correlation model performed better than all other models

  3. Development and use of GREET 1.6 fuel-cycle model for transportation fuels and vehicle technologies

    International Nuclear Information System (INIS)

    Wang, M. Q.

    2001-01-01

    Since 1995, with funds from the U.S. Department of Energy's (DOE's) Office of Transportation Technologies (OTT), Argonne National Laboratory has been developing the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) model. The model is intended to serve as an analytical tool for use by researchers and practitioners in estimating fuel-cycle energy use and emissions associated with alternative transportation fuels and advanced vehicle technologies. Argonne released the first version of the GREET model--GREET 1.0--in June 1996. Since then, it has released a series of GREET versions with revisions, updates, and upgrades. In February 2000, the latest public version of the model--GREET 1.5a--was posted on Argonne's Transportation Technology Research and Development Center (TTRDC) Web site (www.transportation.anl.gov/ttrdc/greet). Major publications that address GREET development are listed. These reports document methodologies, development, key default assumptions, applications, and results of the GREET model. They are also posted, along with additional materials for the GREET model, on the TTRDC Web site. For a given transportation fuel/technology combination, the GREET model separately calculates: (A)--Fuel-cycle energy consumption for the following three source categories: (1) Total energy (all energy sources), (2) Fossil fuels (petroleum, natural gas [NG], and coal), and (3) Petroleum. (B)--Fuel-cycle emissions of the following three greenhouse gases (GHGs): (1) Carbon dioxide (CO 2 ) (with a global warming potential [GWP] of 1), (2) Methane (CH 4 ) (with a GWP of 21), and (3) Nitrous oxide (N 2 O) (with a GWP of 310). (C)--Fuel-cycle emissions of the following five criteria pollutants (separated into total [T] and urban [U] emissions): (1) Volatile organic compounds (VOCs), (2) Carbon monoxide (CO), (3) Nitrogen oxides (NO x ), (4) Particulate matter with a mean aerodynamic diameter of 10 (micro)m or less (PM 10 ), and (5) Sulfur oxides

  4. PVWatts Version 5 Manual

    Energy Technology Data Exchange (ETDEWEB)

    Dobos, A. P.

    2014-09-01

    The NREL PVWatts calculator is a web application developed by the National Renewable Energy Laboratory (NREL) that estimates the electricity production of a grid-connected photovoltaic system based on a few simple inputs. PVWatts combines a number of sub-models to predict overall system performance, and makes includes several built-in parameters that are hidden from the user. This technical reference describes the sub-models, documents assumptions and hidden parameters, and explains the sequence of calculations that yield the final system performance estimate. This reference is applicable to the significantly revised version of PVWatts released by NREL in 2014.

  5. Assessment of nitric oxide (NO) redox reactions contribution to nitrous oxide (N2 O) formation during nitrification using a multispecies metabolic network model.

    Science.gov (United States)

    Perez-Garcia, Octavio; Chandran, Kartik; Villas-Boas, Silas G; Singhal, Naresh

    2016-05-01

    Over the coming decades nitrous oxide (N2O) is expected to become a dominant greenhouse gas and atmospheric ozone depleting substance. In wastewater treatment systems, N2O is majorly produced by nitrifying microbes through biochemical reduction of nitrite (NO2(-)) and nitric oxide (NO). However it is unknown if the amount of N2O formed is affected by alternative NO redox reactions catalyzed by oxidative nitrite oxidoreductase (NirK), cytochromes (i.e., P460 [CytP460] and 554 [Cyt554 ]) and flavohemoglobins (Hmp) in ammonia- and nitrite-oxidizing bacteria (AOB and NOB, respectively). In this study, a mathematical model is developed to assess how N2O formation is affected by such alternative nitrogen redox transformations. The developed multispecies metabolic network model captures the nitrogen respiratory pathways inferred from genomes of eight AOB and NOB species. The performance of model variants, obtained as different combinations of active NO redox reactions, was assessed against nine experimental datasets for nitrifying cultures producing N2O at different concentration of electron donor and acceptor. Model predicted metabolic fluxes show that only variants that included NO oxidation to NO2(-) by CytP460 and Hmp in AOB gave statistically similar estimates to observed production rates of N2O, NO, NO2(-) and nitrate (NO3(-)), together with fractions of AOB and NOB species in biomass. Simulations showed that NO oxidation to NO2(-) decreased N2O formation by 60% without changing culture's NO2(-) production rate. Model variants including NO reduction to N2O by Cyt554 and cNor in NOB did not improve the accuracy of experimental datasets estimates, suggesting null N2O production by NOB during nitrification. Finally, the analysis shows that in nitrifying cultures transitioning from dissolved oxygen levels above 3.8 ± 0.38 to <1.5 ± 0.8 mg/L, NOB cells can oxidize the NO produced by AOB through reactions catalyzed by oxidative NirK. © 2015 Wiley Periodicals, Inc.

  6. Plutonium chemistry: a synthesis of experimental data and a quantitative model for plutonium oxide solubility

    International Nuclear Information System (INIS)

    Haschke, J.M.; Oversby, V.M.

    2002-01-01

    The chemistry of plutonium is important for assessing potential behavior of radioactive waste under conditions of geologic disposal. This paper reviews experimental data on dissolution of plutonium oxide solids, describes a hybrid kinetic-equilibrium model for predicting steady-state Pu concentrations, and compares laboratory results with predicted Pu concentrations and oxidation-state distributions. The model is based on oxidation of PuO 2 by water to produce PuO 2+x , an oxide that can release Pu(V) to solution. Kinetic relationships between formation of PuO 2+x , dissolution of Pu(V), disproportionation of Pu(V) to Pu(IV) and Pu(VI), and reduction of Pu(VI) are given and used in model calculations. Data from tests of pyrochemical salt wastes in brines are discussed and interpreted using the conceptual model. Essential data for quantitative modeling at conditions relevant to nuclear waste repositories are identified and laboratory experiments to determine rate constants for use in the model are discussed

  7. Experimental and modeling study of the oxidation of n- and iso-butanal

    KAUST Repository

    Veloo, Peter S.; Dagaut, P.; Togbé , Casimir; Dayma, Guillaume; Sarathy, Mani; Westbrook, Charles K.; Egolfopoulos, Fokion N.

    2013-01-01

    Understanding the kinetics of large molecular weight aldehydes is essential in the context of both conventional and alternative fuels. For example, they are key intermediates formed during the low-temperature oxidation of hydrocarbons as well as during the high-temperature oxidation of oxygenated fuels such as alcohols. In this study, an experimental and kinetic modeling investigation of n-butanal (. n-butyraldehyde) and iso-butanal (. iso-butyraldehyde or 2-methylpropanal) oxidation kinetics was performed. Experiments were performed in a jet stirred reactor and in counterflow flames over a wide range of equivalence ratios, temperatures, and pressures. The jet stirred reactor was utilized to observe the evolution of stable intermediates and products for the oxidation of n- and iso-butanal at elevated pressures and low to intermediate temperatures. The counterflow configuration was utilized for the determination of laminar flame speeds. A detailed chemical kinetic interpretative model was developed and validated consisting of 244 species and 1198 reactions derived from a previous study of the oxidation of propanal (propionaldehyde). Extensive reaction pathway and sensitivity analysis was performed to provide detailed insight into the mechanisms governing low-, intermediate-, and high-temperature reactivity. The simulation results using the present model are in good agreement with the experimental laminar flame speeds and well within a factor of two of the speciation data obtained in the jet stirred reactor. © 2013 The Combustion Institute.

  8. Experimental and modeling study of the oxidation of n- and iso-butanal

    KAUST Repository

    Veloo, Peter S.

    2013-09-01

    Understanding the kinetics of large molecular weight aldehydes is essential in the context of both conventional and alternative fuels. For example, they are key intermediates formed during the low-temperature oxidation of hydrocarbons as well as during the high-temperature oxidation of oxygenated fuels such as alcohols. In this study, an experimental and kinetic modeling investigation of n-butanal (. n-butyraldehyde) and iso-butanal (. iso-butyraldehyde or 2-methylpropanal) oxidation kinetics was performed. Experiments were performed in a jet stirred reactor and in counterflow flames over a wide range of equivalence ratios, temperatures, and pressures. The jet stirred reactor was utilized to observe the evolution of stable intermediates and products for the oxidation of n- and iso-butanal at elevated pressures and low to intermediate temperatures. The counterflow configuration was utilized for the determination of laminar flame speeds. A detailed chemical kinetic interpretative model was developed and validated consisting of 244 species and 1198 reactions derived from a previous study of the oxidation of propanal (propionaldehyde). Extensive reaction pathway and sensitivity analysis was performed to provide detailed insight into the mechanisms governing low-, intermediate-, and high-temperature reactivity. The simulation results using the present model are in good agreement with the experimental laminar flame speeds and well within a factor of two of the speciation data obtained in the jet stirred reactor. © 2013 The Combustion Institute.

  9. New developments in program STANSOL version 3

    International Nuclear Information System (INIS)

    Gray, W.H.

    1981-10-01

    STANSOL is a computer program that applied a solution for the mechanical displacement, stress, and strain in rotationally-transversely isotropic, homogeneous, axisymmetric solenoids. Careful application of the solution permits the complex mechanical behavior of multilayered, nonhomogeneous solenoids to be examined in which the loads may vary arbitrarily from layer to layer. Loads applied to the solenoid model by program STANSOL may consist of differential temperature, winding preload, internal and/or external surface pressure, and electromagnetic Lorentz body forces. STANSOL version 3, the latest update to the original version of the computer program, also permits structural analysis of solenoid magnets in which frictionless interlayer gaps may open or close. This paper presents the new theory coded into version 3 of the STANSOL program, as well as the new input data format and graphical output display of the resulting analysis

  10. Probabilistic Model for Integrated Assessment of the Behavior at the T.D.P. Version 2

    International Nuclear Information System (INIS)

    Hurtado, A.; Eguilior, S.; Recreo, F

    2015-01-01

    This report documents the completion of the first phase of the implementation of the methodology ABACO2G (Bayes Application to Geological Storage of CO2) and the final version of the ABACO2G probabilistic model for the injection phase before its future validation in the experimental field of the Technology Development Plant in Hontom (Burgos). The model, which is based on the determination of the probabilistic risk component of a geological storage of CO2 using the formalism of Bayesian networks and Monte Carlo probability yields quantitative probability functions of the total system CO2 storage and of each one of their subsystems (storage subsystem and the primary seal; secondary containment subsystem and dispersion subsystem or tertiary one); the implementation of the stochastic time evolution of the CO2 plume during the injection period, the stochastic time evolution of the drying front, the probabilistic evolution of the pressure front, decoupled from the CO2 plume progress front, and the implementation of submodels and leakage probability functions through major leakage risk elements (fractures / faults and wells / deep boreholes) which together define the space of events to estimate the risks associated with the CO2 geological storage system. The activities included in this report have been to replace the previous qualitative estimation submodels of former ABACO2G version developed during Phase I of the project ALM-10-017, by analytical, semi-analytical or numerical submodels for the main elements of risk (wells and fractures), to obtain an integrated probabilistic model of a CO2 storage complex in carbonate formations that meets the needs of the integrated behavior evaluation of the Technology Development Plant in Hontomín

  11. Cholesterol photo-oxidation: A chemical reaction network for kinetic modeling.

    Science.gov (United States)

    Barnaba, Carlo; Rodríguez-Estrada, Maria Teresa; Lercker, Giovanni; García, Hugo Sergio; Medina-Meza, Ilce Gabriela

    2016-12-01

    In this work we studied the effect of polyunsaturated fatty acids (PUFAs) methyl esters on cholesterol photo-induced oxidation. The oxidative routes were modeled with a chemical reaction network (CRN), which represents the first application of CRN to the oxidative degradation of a food-related lipid matrix. Docosahexaenoic acid (DHA, T-I), eicosapentaenoic acid (EPA, T-II) and a mixture of both (T-III) were added to cholesterol using hematoporphyrin as sensitizer, and were exposed to a fluorescent lamp for 48h. High amounts of Type I cholesterol oxidation products (COPs) were recovered (epimers 7α- and 7β-OH, 7-keto and 25-OH), as well as 5β,6β-epoxy. Fitting the experimental data with the CRN allowed characterizing the associated kinetics. DHA and EPA exerted different effects on the oxidative process. DHA showed a protective effect to 7-hydroxy derivatives, whereas EPA enhanced side-chain oxidation and 7β-OH kinetic rates. The mixture of PUFAs increased the kinetic rates several fold, particularly for 25-OH. With respect to the control, the formation of β-epoxy was reduced, suggesting potential inhibition in the presence of PUFAs. Copyright © 2016 Elsevier Inc. All rights reserved.

  12. A mechanistic model on methane oxidation in the rice rhizosphere

    NARCIS (Netherlands)

    Bodegom, van P.M.; Leffelaar, P.A.; Goudriaan, J.

    2001-01-01

    A mechanistic model is presented on the processes leading to methane oxidation in rice rhizosphere. The model is driven by oxygen release from a rice root into anaerobic rice soil. Oxygen is consumed by heterotrophic and methanotrophic respiration, described by double Monod kinetics, and by iron

  13. MODIFIED N.R.C. VERSION OF THE U.S.G.S. SOLUTE TRANSPORT MODEL. VOLUME 2. INTERACTIVE PREPROCESSOR PROGRAM

    Science.gov (United States)

    The methods described in the report can be used with the modified N.R.C. version of the U.S.G.S. Solute Transport Model to predict the concentration of chemical parameters in a contaminant plume. The two volume report contains program documentation and user's manual. The program ...

  14. Oxidative Stress Associated with Neuronal Apoptosis in Experimental Models of Epilepsy

    Directory of Open Access Journals (Sweden)

    Marisela Méndez-Armenta

    2014-01-01

    Full Text Available Epilepsy is considered one of the most common neurological disorders worldwide. Oxidative stress produced by free radicals may play a role in the initiation and progression of epilepsy; the changes in the mitochondrial and the oxidative stress state can lead mechanism associated with neuronal death pathway. Bioenergetics state failure and impaired mitochondrial function include excessive free radical production with impaired synthesis of antioxidants. This review summarizes evidence that suggest what is the role of oxidative stress on induction of apoptosis in experimental models of epilepsy.

  15. Update of the Polar SWIFT model for polar stratospheric ozone loss (Polar SWIFT version 2

    Directory of Open Access Journals (Sweden)

    I. Wohltmann

    2017-07-01

    Full Text Available The Polar SWIFT model is a fast scheme for calculating the chemistry of stratospheric ozone depletion in polar winter. It is intended for use in global climate models (GCMs and Earth system models (ESMs to enable the simulation of mutual interactions between the ozone layer and climate. To date, climate models often use prescribed ozone fields, since a full stratospheric chemistry scheme is computationally very expensive. Polar SWIFT is based on a set of coupled differential equations, which simulate the polar vortex-averaged mixing ratios of the key species involved in polar ozone depletion on a given vertical level. These species are O3, chemically active chlorine (ClOx, HCl, ClONO2 and HNO3. The only external input parameters that drive the model are the fraction of the polar vortex in sunlight and the fraction of the polar vortex below the temperatures necessary for the formation of polar stratospheric clouds. Here, we present an update of the Polar SWIFT model introducing several improvements over the original model formulation. In particular, the model is now trained on vortex-averaged reaction rates of the ATLAS Chemistry and Transport Model, which enables a detailed look at individual processes and an independent validation of the different parameterizations contained in the differential equations. The training of the original Polar SWIFT model was based on fitting complete model runs to satellite observations and did not allow for this. A revised formulation of the system of differential equations is developed, which closely fits vortex-averaged reaction rates from ATLAS that represent the main chemical processes influencing ozone. In addition, a parameterization for the HNO3 change by denitrification is included. The rates of change of the concentrations of the chemical species of the Polar SWIFT model are purely chemical rates of change in the new version, whereas in the original Polar SWIFT model, they included a transport effect

  16. Computational Modeling of Cobalt-based Water Oxidation: Current Status and Future Challenges

    Science.gov (United States)

    Schilling, Mauro; Luber, Sandra

    2018-04-01

    A lot of effort is nowadays put into the development of novel water oxidation catalysts. In this context mechanistic studies are crucial in order to elucidate the reaction mechanisms governing this complex process, new design paradigms and strategies how to improve the stability and efficiency of those catalysis. This review is focused on recent theoretical mechanistic studies in the field of homogeneous cobalt-based water oxidation catalysts. In the first part, computational methodologies and protocols are summarized and evaluated on the basis of their applicability towards real catalytic or smaller model systems, whereby special emphasis is laid on the choice of an appropriate model system. In the second part, an overview of mechanistic studies is presented, from which conceptual guidelines are drawn on how to approach novel studies of catalysts and how to further develop the field of computational modeling of water oxidation reactions.

  17. Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges

    Directory of Open Access Journals (Sweden)

    Mauro Schilling

    2018-04-01

    Full Text Available A lot of effort is nowadays put into the development of novel water oxidation catalysts. In this context, mechanistic studies are crucial in order to elucidate the reaction mechanisms governing this complex process, new design paradigms and strategies how to improve the stability and efficiency of those catalysts. This review is focused on recent theoretical mechanistic studies in the field of homogeneous cobalt-based water oxidation catalysts. In the first part, computational methodologies and protocols are summarized and evaluated on the basis of their applicability toward real catalytic or smaller model systems, whereby special emphasis is laid on the choice of an appropriate model system. In the second part, an overview of mechanistic studies is presented, from which conceptual guidelines are drawn on how to approach novel studies of catalysts and how to further develop the field of computational modeling of water oxidation reactions.

  18. The Adsorption of Cd(II on Manganese Oxide Investigated by Batch and Modeling Techniques

    Directory of Open Access Journals (Sweden)

    Xiaoming Huang

    2017-09-01

    Full Text Available Manganese (Mn oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R2 > 0.999. The adsorption of Cd(II on Mn oxide significantly decreased with increasing ionic strength at pH < 5.0, whereas Cd(II adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II on Mn oxide at pH < 5.0 and pH > 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II on Mn oxide can be satisfactorily simulated by ion exchange sites (X2Cd at low pH and inner-sphere surface complexation sites (SOCd+ and (SO2CdOH− species at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water–mineral interface.

  19. The Systems Biology Markup Language (SBML) Level 3 Package: Qualitative Models, Version 1, Release 1.

    Science.gov (United States)

    Chaouiya, Claudine; Keating, Sarah M; Berenguier, Duncan; Naldi, Aurélien; Thieffry, Denis; van Iersel, Martijn P; Le Novère, Nicolas; Helikar, Tomáš

    2015-09-04

    Quantitative methods for modelling biological networks require an in-depth knowledge of the biochemical reactions and their stoichiometric and kinetic parameters. In many practical cases, this knowledge is missing. This has led to the development of several qualitative modelling methods using information such as, for example, gene expression data coming from functional genomic experiments. The SBML Level 3 Version 1 Core specification does not provide a mechanism for explicitly encoding qualitative models, but it does provide a mechanism for SBML packages to extend the Core specification and add additional syntactical constructs. The SBML Qualitative Models package for SBML Level 3 adds features so that qualitative models can be directly and explicitly encoded. The approach taken in this package is essentially based on the definition of regulatory or influence graphs. The SBML Qualitative Models package defines the structure and syntax necessary to describe qualitative models that associate discrete levels of activities with entity pools and the transitions between states that describe the processes involved. This is particularly suited to logical models (Boolean or multi-valued) and some classes of Petri net models can be encoded with the approach.

  20. Land-total and Ocean-total Precipitation and Evaporation from a Community Atmosphere Model version 5 Perturbed Parameter Ensemble

    Energy Technology Data Exchange (ETDEWEB)

    Covey, Curt [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lucas, Donald D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Trenberth, Kevin E. [National Center for Atmospheric Research, Boulder, CO (United States)

    2016-03-02

    This document presents the large scale water budget statistics of a perturbed input-parameter ensemble of atmospheric model runs. The model is Version 5.1.02 of the Community Atmosphere Model (CAM). These runs are the “C-Ensemble” described by Qian et al., “Parametric Sensitivity Analysis of Precipitation at Global and Local Scales in the Community Atmosphere Model CAM5” (Journal of Advances in Modeling the Earth System, 2015). As noted by Qian et al., the simulations are “AMIP type” with temperature and sea ice boundary conditions chosen to match surface observations for the five year period 2000-2004. There are 1100 ensemble members in addition to one run with default inputparameter values.

  1. Ab initio and kinetic modeling studies of formic acid oxidation

    DEFF Research Database (Denmark)

    Marshall, Paul; Glarborg, Peter

    2015-01-01

    A detailed chemical kinetic model for oxidation of formic acid (HOCHO) in flames has been developed, based on theoretical work and data from literature. Ab initio calculations were used to obtain rate coefficients for reactions of HOCHO with H, O, and HO2. Modeling predictions with the mechanism...

  2. Comparison of Steam Oxidation of 18%Cr Steels from Various Power Plants

    DEFF Research Database (Denmark)

    Montgomery, Melanie; Hald, John

    2015-01-01

    Lean austenitic steels such as the 18%Cr TP347H have been utilized in many power plants in Denmark. Steam oxidation has been investigated for both coarse-grained and fine-grained versions of TP347H. Oxidation for coarsegrained steels follows a parabolic rate however this is not always the case fo...

  3. Impedance Modeling of Solid Oxide Fuel Cell Cathodes

    DEFF Research Database (Denmark)

    Mortensen, Jakob Egeberg; Søgaard, Martin; Jacobsen, Torben

    2010-01-01

    A 1-dimensional impedance model for a solid oxide fuel cell cathode is formulated and applied to a cathode consisting of 50/50 wt% strontium doped lanthanum cobaltite and gadolinia doped ceria. A total of 42 impedance spectra were recorded in the temperature range: 555-852°C and in the oxygen...... partial pressure range 0.028-1.00 atm. The recorded impedance spectra were successfully analyzed using the developed impedance model in the investigated temperature and oxygen partial pressure range. It is also demonstrated that the model can be used to predict how impedance spectra evolve with different...

  4. Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

    Energy Technology Data Exchange (ETDEWEB)

    Baltrusaitis, Jonas, E-mail: job314@lehigh.edu [Department of Chemical Engineering, Lehigh University, B336 Iacocca Hall, 111 Research Drive, Bethlehem, PA 18015 (United States); PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Mendoza-Sanchez, Beatriz [CRANN, Chemistry School, Trinity College Dublin, Dublin (Ireland); Fernandez, Vincent [Institut des Matériaux Jean Rouxel, 2 rue de la Houssinière, BP 32229, F-44322 Nantes Cedex 3 (France); Veenstra, Rick [PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Dukstiene, Nijole [Department of Physical and Inorganic Chemistry, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Roberts, Adam [Kratos Analytical Ltd, Trafford Wharf Road, Wharfside, Manchester, M17 1GP (United Kingdom); Fairley, Neal [Casa Software Ltd, Bay House, 5 Grosvenor Terrace, Teignmouth, Devon TQ14 8NE (United Kingdom)

    2015-01-30

    Highlights: • We analyzed and modeled spectral envelopes of complex molybdenum oxides. • Molybdenum oxide films of varying valence and crystallinity were synthesized. • MoO{sub 3} and MoO{sub 2} line shapes from experimental data were created. • Informed amorphous sample model (IASM) developed. • Amorphous molybdenum oxide XPS envelopes were interpreted. - Abstract: Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

  5. Reaction modelling of Iron Oxide Bromination in the UT-3 thermochemical cycle for Hydrogen production from water

    International Nuclear Information System (INIS)

    Amir-Rusli

    1996-01-01

    Analysis modelling of the iron oxide bromination had been carried out using experiment data from the iron oxide bromination in the UT-3 thermochemical cycle. Iron oxide in the form of pellets were made of the calcination of the mixture of iron oxide, silica, graphite and cellulose at 1473 K. Thermobalance reactor was used to study the kinetic reactions of the iron oxide bromination at a temperature of 473 K for 2 - 6 hours. The data collected from the experiments were used as input for the common models. However, none of these models could not explain the result of the experiments. A new model, a combination of two kinetic reactions : exposed particle and coated particle was created and worked successfully

  6. Nuclear Engine System Simulation (NESS). Version 2.0: Program user's guide. Final Report

    International Nuclear Information System (INIS)

    Pelaccio, D.G.; Scheil, C.M.; Petrosky, L.

    1993-03-01

    This Program User's Guide discusses the Nuclear Thermal Propulsion (NTP) engine system design features and capabilities modeled in the Nuclear Engine System Simulation (NESS): Version 2.0 program (referred to as NESS throughout the remainder of this document), as well as its operation. NESS was upgraded to include many new modeling capabilities not available in the original version delivered to NASA LeRC in Dec. 1991, NESS's new features include the following: (1) an improved input format; (2) an advanced solid-core NERVA-type reactor system model (ENABLER 2); (3) a bleed-cycle engine system option; (4) an axial-turbopump design option; (5) an automated pump-out turbopump assembly sizing option; (6) an off-design gas generator engine cycle design option; (7) updated hydrogen properties; (8) an improved output formnd (9) personal computer operation capability. Sample design cases are presented in the user's guide that demonstrate many of the new features associated with this upgraded version of NESS, as well as design modeling features associated with the original version of NESS

  7. Simion 3D Version 6.0 User`s Manual

    Energy Technology Data Exchange (ETDEWEB)

    Dahl, D.A.

    1995-11-01

    The original SIMION was an electrostatic lens analysis and design program developed by D.C. McGilvery at Latrobe University, Bundoora Victoria, Australia, 1977. SIMION for the PC, developed at the Idaho National Engineering Laboratory, shares little more than its name with the original McGilvery version. INEL`s fifth major SIMION release, version 6.0, represents a quantum improvement over previous versions. This C based program can model complex problems using an ion optics workbench that can hold up to 200 2D and/or 3D electrostatic/magnetic potential arrays. Arrays can have up to 10,000,000 points. SIMION 3D`s 32 bit virtual Graphics User Interface provides a highly interactive advanced user environment. All potential arrays are visualized as 3D objects that the user can cut away to inspect ion trajectories and potential energy surfaces. User programs have been greatly extended in versatility and power. A new geometry file option supports the definition of highly complex array geometry. Extensive algorithm modifications have dramatically improved this version`s computational speed and accuracy.

  8. Development and Validation of a Mathematical Model for Olive Oil Oxidation

    Science.gov (United States)

    Rahmouni, K.; Bouhafa, H.; Hamdi, S.

    2009-03-01

    A mathematical model describing the stability or the susceptibility to oxidation of extra virgin olive oil has been developed. The model has been resolved by an iterative method using differential finite method. It was validated by experimental data of extra virgin olive oil (EVOO) oxidation. EVOO stability was tested by using a Rancimat at four different temperatures 60, 70, 80 and 90° C until peroxide accumulation reached 20 [meq/kg]. Peroxide formation is speed relatively slow; fits zero order reaction with linear regression coefficients varying from 0, 98 to 0, 99. The mathematical model was used to predict the shelf life of bulk conditioned olive oil. This model described peroxide accumulation inside a container in excess of oxygen as a function of time at various positions from the interface air/oil. Good correlations were obtained between theoretical and experimental values.

  9. IGT-Open: An open-source, computerized version of the Iowa Gambling Task.

    Science.gov (United States)

    Dancy, Christopher L; Ritter, Frank E

    2017-06-01

    The Iowa Gambling Task (IGT) is commonly used to understand the processes involved in decision-making. Though the task was originally run without a computer, using a computerized version of the task has become typical. These computerized versions of the IGT are useful, because they can make the task more standardized across studies and allow for the task to be used in environments where a physical version of the task may be difficult or impossible to use (e.g., while collecting brain imaging data). Though these computerized versions of the IGT have been useful for experimentation, having multiple software implementations of the task could present reliability issues. We present an open-source software version of the Iowa Gambling Task (called IGT-Open) that allows for millisecond visual presentation accuracy and is freely available to be used and modified. This software has been used to collect data from human subjects and also has been used to run model-based simulations with computational process models developed to run in the ACT-R architecture.

  10. Optimization of a model of red blood cells for the study of anti-oxidant drugs, in terms of concentration of oxidant and phosphate buffer.

    Science.gov (United States)

    Bureau, A; Lahet, J-J; Lenfant, F; Bouyer, F; Petitjean, M; Chaillot, B; Freysz, M

    2005-08-01

    The aggression of erythrocytes by an oxidative stress induces hemolysis. This paper aims to valid a model of erythrocytes in terms of composition of the phosphate buffer solution and of concentration of a well-known oxidant, AAPH. Three compositions of phosphate buffer solution are mixed with three concentrations of oxidant. The influence of these two parameters on hemolysis is independently studied by a variance analysis and a Kruskal-Wallis test when ANOVA is not available. The hemolysis rate increases with time at fixed oxidant concentration, but is not influenced by the composition of the buffer solution. The highest hemolysis rate, 90%, was only measured within 2 h with the highest oxidant concentration. If we retain this concentration of oxidant, the lower concentration of the buffer can by eliminated by a significant less hemolysis and the highest concentration of the buffer can by chosen in regard of the better precision for a similar hemolysis compared to the mean buffer. We hope to study the effect of anti-oxidant agent with such a model of erythrocytes.

  11. Thermal site descriptive model. A strategy for the model development during site investigations - version 2

    International Nuclear Information System (INIS)

    Back, Paer-Erik; Sundberg, Jan

    2007-09-01

    This report presents a strategy for describing, predicting and visualising the thermal aspects of the site descriptive model. The strategy is an updated version of an earlier strategy applied in all SDM versions during the initial site investigation phase at the Forsmark and Oskarshamn areas. The previous methodology for thermal modelling did not take the spatial correlation fully into account during simulation. The result was that the variability of thermal conductivity in the rock mass was not sufficiently well described. Experience from earlier thermal SDMs indicated that development of the methodology was required in order describe the spatial distribution of thermal conductivity in the rock mass in a sufficiently reliable way, taking both variability within rock types and between rock types into account. A good description of the thermal conductivity distribution is especially important for the lower tail. This tail is important for the design of a repository because it affects the canister spacing. The presented approach is developed to be used for final SDM regarding thermal properties, primarily thermal conductivity. Specific objectives for the strategy of thermal stochastic modelling are: Description: statistical description of the thermal conductivity of a rock domain. Prediction: prediction of thermal conductivity in a specific rock volume. Visualisation: visualisation of the spatial distribution of thermal conductivity. The thermal site descriptive model should include the temperature distribution and thermal properties of the rock mass. The temperature is the result of the thermal processes in the repository area. Determination of thermal transport properties can be made using different methods, such as laboratory investigations, field measurements, modelling from mineralogical composition and distribution, modelling from density logging and modelling from temperature logging. The different types of data represent different scales, which has to be

  12. Thermal site descriptive model. A strategy for the model development during site investigations - version 2

    Energy Technology Data Exchange (ETDEWEB)

    Back, Paer-Erik; Sundberg, Jan [Geo Innova AB (Sweden)

    2007-09-15

    This report presents a strategy for describing, predicting and visualising the thermal aspects of the site descriptive model. The strategy is an updated version of an earlier strategy applied in all SDM versions during the initial site investigation phase at the Forsmark and Oskarshamn areas. The previous methodology for thermal modelling did not take the spatial correlation fully into account during simulation. The result was that the variability of thermal conductivity in the rock mass was not sufficiently well described. Experience from earlier thermal SDMs indicated that development of the methodology was required in order describe the spatial distribution of thermal conductivity in the rock mass in a sufficiently reliable way, taking both variability within rock types and between rock types into account. A good description of the thermal conductivity distribution is especially important for the lower tail. This tail is important for the design of a repository because it affects the canister spacing. The presented approach is developed to be used for final SDM regarding thermal properties, primarily thermal conductivity. Specific objectives for the strategy of thermal stochastic modelling are: Description: statistical description of the thermal conductivity of a rock domain. Prediction: prediction of thermal conductivity in a specific rock volume. Visualisation: visualisation of the spatial distribution of thermal conductivity. The thermal site descriptive model should include the temperature distribution and thermal properties of the rock mass. The temperature is the result of the thermal processes in the repository area. Determination of thermal transport properties can be made using different methods, such as laboratory investigations, field measurements, modelling from mineralogical composition and distribution, modelling from density logging and modelling from temperature logging. The different types of data represent different scales, which has to be

  13. Characterization of subcritical water oxidation with in situ monitoring and self-modeling curve resolution

    International Nuclear Information System (INIS)

    Gemperline, Paul J.; Yang Yu; Bian Zhihui

    2003-01-01

    In this paper, a subcritical water oxidation (SBWO) process was monitored using self-modeling curve resolution (SMCR) of in situ UV-Vis measurements to estimate time-dependant composition profiles of reactants, intermediates and products. A small laboratory scale reactor with UV-Vis fiber-optic probes and a flow cell was used to demonstrate the usefulness of SMCR for monitoring the destruction of model compounds phenol, benzoic acid, and aniline in a dilute aqueous solutions. Hydrogen peroxide was used as the oxidizing reagent at moderate temperature (150-250 deg. C) and pressure (60-90 atm) in a single phase. By use of in situ monitoring, reaction times were easily determined and conditions for efficient oxidations were easily diagnosed without the need for time consuming off-line reference measurements. For selected runs, the destruction of the model compound was confirmed by gas chromatography and chemical oxygen demand (COD) measurements. Suspected intermediate oxidation products were easily detected by the use of UV-Vis spectrometry and self-modeling curve resolution, but could not be detected by gas chromatography

  14. Model study of multiphase DMS oxidation with a focus on halogens

    Directory of Open Access Journals (Sweden)

    R. von Glasow

    2004-01-01

    Full Text Available We studied the oxidation of dimethylsulfide (DMS in the marine boundary layer (MBL with a one-dimensional numerical model and focused on the influence of halogens. Our model runs show that there is still significant uncertainty about the end products of the DMS addition pathway, which is especially caused by uncertainty in the product yield of the reaction of the intermediate product methyl sulfinic acid (MSIA with OH. BrO strongly increases the importance of the addition branch in the oxidation of DMS even when present at mixing ratios smaller than 0.5pmol mol-1. The inclusion of halogen chemistry leads to higher DMS oxidation rates and smaller DMS to SO2 conversion efficiencies. The DMS to SO2 conversion efficiency is also drastically reduced under cloudy conditions. In cloud-free model runs between 5 and 15% of the oxidized DMS reacts further to particulate sulfur, in cloudy runs this fraction is almost 100%. Sulfate production by HOClaq and HOBraq is important in cloud droplets even for small Br- deficits and related small gas phase halogen concentrations. In general, more particulate sulfur is formed when halogen chemistry is included. A possible enrichment of HCO3- in fresh sea salt aerosol would increase pH values enough to make the reaction of S(IV* (=SO2,aq+HSO3-+SO32- with O3 dominant for sulfate production. It leads to a shift from methyl sulfonic acid (MSA to non-sea salt sulfate (nss-SO42- production but increases the total nss-SO42- only somewhat because almost all available sulfur is already oxidized to particulate sulfur in the base scenario. We discuss how realistic this is for the MBL. We found the reaction MSAaq+OH to contribute about 10% to the production of nss-SO42- in clouds. It is unimportant for cloud-free model runs. Overall we find that the presence of halogens leads to processes that decrease the albedo of stratiform clouds in the MBL.

  15. Models for the Configuration and Integrity of Partially Oxidized Fuel Rod Cladding at High Temperatures

    International Nuclear Information System (INIS)

    Siefken, L.J.

    1999-01-01

    Models were designed to resolve deficiencies in the SCDAP/RELAP5/MOD3.2 calculations of the configuration and integrity of hot, partially oxidized cladding. These models are expected to improve the calculations of several important aspects of fuel rod behavior. First, an improved mapping was established from a compilation of PIE results from severe fuel damage tests of the configuration of melted metallic cladding that is retained by an oxide layer. The improved mapping accounts for the relocation of melted cladding in the circumferential direction. Then, rules based on PIE results were established for calculating the effect of cladding that has relocated from above on the oxidation and integrity of the lower intact cladding upon which it solidifies. Next, three different methods were identified for calculating the extent of dissolution of the oxidic part of the cladding due to its contact with the metallic part. The extent of dissolution effects the stress and thus the integrity of the oxidic part of the cladding. Then, an empirical equation was presented for calculating the stress in the oxidic part of the cladding and evaluating its integrity based on this calculated stress. This empirical equation replaces the current criterion for loss of integrity which is based on temperature and extent of oxidation. Finally, a new rule based on theoretical and experimental results was established for identifying the regions of a fuel rod with oxidation of both the inside and outside surfaces of the cladding. The implementation of these models is expected to eliminate the tendency of the SCDAP/RELAP5 code to overpredict the extent of oxidation of the upper part of fuel rods and to underpredict the extent of oxidation of the lower part of fuel rods and the part with a high concentration of relocated material. This report is a revision and reissue of the report entitled, Improvements in Modeling of Cladding Oxidation and Meltdown

  16. Evaluation of a new CNRM-CM6 model version for seasonal climate predictions

    Science.gov (United States)

    Volpi, Danila; Ardilouze, Constantin; Batté, Lauriane; Dorel, Laurant; Guérémy, Jean-François; Déqué, Michel

    2017-04-01

    This work presents the quality assessment of a new version of the Météo-France coupled climate prediction system, which has been developed in the EU COPERNICUS Climate Change Services framework to carry out seasonal forecast. The system is based on the CNRM-CM6 model, with Arpege-Surfex 6.2.2 as atmosphere/land component and Nemo 3.2 as ocean component, which has directly embedded the sea-ice component Gelato 6.0. In order to have a robust diagnostic, the experiment is composed by 60 ensemble members generated with stochastic dynamic perturbations. The experiment has been performed over a 37-year re-forecast period from 1979 to 2015, with two start dates per year, respectively in May 1st and November 1st. The evaluation of the predictive skill of the model is shown under two perspectives: on the one hand, the ability of the model to faithfully respond to positive or negative ENSO, NAO and QBO events, independently of the predictability of these events. Such assessment is carried out through a composite analysis, and shows that the model succeeds in reproducing the main patterns for 2-meter temperature, precipitation and geopotential height at 500 hPa during the winter season. On the other hand, the model predictive skill of the same events (positive and negative ENSO, NAO and QBO) is evaluated.

  17. Extractive oxidative desulfurization of model oil/crude oil using KSF montmorillonite-supported 12-tungstophosphoric acid

    Directory of Open Access Journals (Sweden)

    Ezzat Rafiee

    2016-10-01

    Full Text Available Abstract 12-Tungstophosphoric acid (PW supported on KSF montmorillonite, PW/KSF, was used as catalyst for deep oxidative desulfurization (ODS of mixed thiophenic compounds in model oil and crude oil under mild conditions using hydrogen peroxide (H2O2 as an oxidizing agent. A one-factor-at-a-time method was applied for optimizing the parameters such as temperature, reaction time, amount of catalyst, type of extractant and oxidant-to-sulfur compounds (S-compounds molar ratio. The corresponding products can be easily removed from the model oil by using ethanol as the best extractant. The results showed high catalytic activity of PW/KSF in the oxidative removal of dibenzothiophene (DBT and mixed thiophenic model oil under atmospheric pressure at 75 °C in a biphasic system. To investigate the oxidation and adsorption effects of crude oil composition on ODS, the effects of cyclohexene, 1,7-octadiene and o-xylene with different concentrations were studied.

  18. Integrated Farm System Model Version 4.2 and Dairy Gas Emissions Model Version 3.2 Software development and distribution

    Science.gov (United States)

    Emissions of ammonia (NH3) and nitrous oxide (N2O) vary among animal facilities due to differences in housing structure and associated manure management. Bedded pack barns are structures with a roof and sidewalls resulting in a lower air velocity and evaporation potential inside the structure. But s...

  19. Statistical model of fractures and deformation zones. Preliminary site description, Laxemar subarea, version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Hermanson, Jan; Forssberg, Ola [Golder Associates AB, Stockholm (Sweden); Fox, Aaron; La Pointe, Paul [Golder Associates Inc., Redmond, WA (United States)

    2005-10-15

    The goal of this summary report is to document the data sources, software tools, experimental methods, assumptions, and model parameters in the discrete-fracture network (DFN) model for the local model volume in Laxemar, version 1.2. The model parameters presented herein are intended for use by other project modeling teams. Individual modeling teams may elect to simplify or use only a portion of the DFN model, depending on their needs. This model is not intended to be a flow model or a mechanical model; as such, only the geometrical characterization is presented. The derivations of the hydraulic or mechanical properties of the fractures or their subsurface connectivities are not within the scope of this report. This model represents analyses carried out on particular data sets. If additional data are obtained, or values for existing data are changed or excluded, the conclusions reached in this report, and the parameter values calculated, may change as well. The model volume is divided into two subareas; one located on the Simpevarp peninsula adjacent to the power plant (Simpevarp), and one further to the west (Laxemar). The DFN parameters described in this report were determined by analysis of data collected within the local model volume. As such, the final DFN model is only valid within this local model volume and the modeling subareas (Laxemar and Simpevarp) within.

  20. Application of the GRI 1.2 Methane Oxidation Model to Methane and Methanol Oxidation in Supercritical Water

    National Research Council Canada - National Science Library

    Rice, Steven

    1997-01-01

    The Gas Research Institute (GRI) has been leading an effort over the past few years to consolidate recent developments in the elementary reaction modeling of the oxidation of methane for combustion applications into a single...

  1. Mathematical Modelling to Predict Oxidative Behaviour of Conjugated Linoleic Acid in the Food Processing Industry

    Directory of Open Access Journals (Sweden)

    Aitziber Ojanguren

    2013-06-01

    Full Text Available Industrial processes that apply high temperatures in the presence of oxygen may compromise the stability of conjugated linoleic acid (CLA bioactive isomers. Statistical techniques are used in this study to model and predict, on a laboratory scale, the oxidative behaviour of oil with high CLA content, controlling the limiting factors of food processing. This modelling aims to estimate the impact of an industrial frying process (140 °C, 7 L/h air on the oxidation of CLA oil for use as frying oil instead of sunflower oil. A factorial design was constructed within a temperature (80–200 °C and air flow (7–20 L/h range. Oil stability index (Rancimat method was used as a measure of oxidation. Three-level full factorial design was used to obtain a quadratic model for CLA oil, enabling the oxidative behaviour to be predicted under predetermined process conditions (temperature and air flow. It is deduced that temperatures applied in food processes affect the oxidation of CLA to a greater extent than air flow. As a result, it is estimated that the oxidative stability of CLA oil is less resistant to industrial frying than sunflower oil. In conclusion, thanks to the mathematical model, a good choice of the appropriate industrial food process can be selected to avoid the oxidation of the bioactive isomers of CLA, ensuring its functionality in novel applications.

  2. Generalized kinetic model of reduction of molecular oxidant by metal containing redox

    International Nuclear Information System (INIS)

    Kravchenko, T.A.

    1986-01-01

    Present work is devoted to kinetics of reduction of molecular oxidant by metal containing redox. Constructed generalized kinetic model of redox process in the system solid redox - reagent solution allows to perform the general theoretical approach to research and to obtain new results on kinetics and mechanism of interaction of redox with oxidants.

  3. A simple model to estimate the optimal doping of p - Type oxide superconductors

    Directory of Open Access Journals (Sweden)

    Adir Moysés Luiz

    2008-12-01

    Full Text Available Oxygen doping of superconductors is discussed. Doping high-Tc superconductors with oxygen seems to be more efficient than other doping procedures. Using the assumption of double valence fluctuations, we present a simple model to estimate the optimal doping of p-type oxide superconductors. The experimental values of oxygen content for optimal doping of the most important p-type oxide superconductors can be accounted for adequately using this simple model. We expect that our simple model will encourage further experimental and theoretical researches in superconducting materials.

  4. Mitochondrial Alterations and Oxidative Stress in an Acute Transient Mouse Model of Muscle Degeneration

    Science.gov (United States)

    Ramadasan-Nair, Renjini; Gayathri, Narayanappa; Mishra, Sudha; Sunitha, Balaraju; Mythri, Rajeswara Babu; Nalini, Atchayaram; Subbannayya, Yashwanth; Harsha, Hindalahalli Chandregowda; Kolthur-Seetharam, Ullas; Bharath, Muchukunte Mukunda Srinivas

    2014-01-01

    Muscular dystrophies (MDs) and inflammatory myopathies (IMs) are debilitating skeletal muscle disorders characterized by common pathological events including myodegeneration and inflammation. However, an experimental model representing both muscle pathologies and displaying most of the distinctive markers has not been characterized. We investigated the cardiotoxin (CTX)-mediated transient acute mouse model of muscle degeneration and compared the cardinal features with human MDs and IMs. The CTX model displayed degeneration, apoptosis, inflammation, loss of sarcolemmal complexes, sarcolemmal disruption, and ultrastructural changes characteristic of human MDs and IMs. Cell death caused by CTX involved calcium influx and mitochondrial damage both in murine C2C12 muscle cells and in mice. Mitochondrial proteomic analysis at the initial phase of degeneration in the model detected lowered expression of 80 mitochondrial proteins including subunits of respiratory complexes, ATP machinery, fatty acid metabolism, and Krebs cycle, which further decreased in expression during the peak degenerative phase. The mass spectrometry (MS) data were supported by enzyme assays, Western blot, and histochemistry. The CTX model also displayed markers of oxidative stress and a lowered glutathione reduced/oxidized ratio (GSH/GSSG) similar to MDs, human myopathies, and neurogenic atrophies. MS analysis identified 6 unique oxidized proteins from Duchenne muscular dystrophy samples (n = 6) (versus controls; n = 6), including two mitochondrial proteins. Interestingly, these mitochondrial proteins were down-regulated in the CTX model thereby linking oxidative stress and mitochondrial dysfunction. We conclude that mitochondrial alterations and oxidative damage significantly contribute to CTX-mediated muscle pathology with implications for human muscle diseases. PMID:24220031

  5. Item and response-category functioning of the Persian version of the KIDSCREEN-27: Rasch partial credit model

    Directory of Open Access Journals (Sweden)

    Jafari Peyman

    2012-10-01

    Full Text Available Abstract Background The purpose of the study was to determine whether the Persian version of the KIDSCREEN-27 has the optimal number of response category to measure health-related quality of life (HRQoL in children and adolescents. Moreover, we aimed to determine if all the items contributed adequately to their own domain. Findings The Persian version of the KIDSCREEN-27 was completed by 1083 school children and 1070 of their parents. The Rasch partial credit model (PCM was used to investigate item statistics and ordering of response categories. The PCM showed that no item was misfitting. The PCM also revealed that, successive response categories for all items were located in the expected order except for category 1 in self- and proxy-reports. Conclusions Although Rasch analysis confirms that all the items belong to their own underlying construct, response categories should be reorganized and evaluated in further studies, especially in children with chronic conditions.

  6. Global Historical Climatology Network - Daily (GHCN-Daily), Version 2 (Version Superseded)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Please note, this dataset has been superseded by a newer version (see below). Users should not use this version except in rare cases (e.g., when reproducing previous...

  7. Helicobacter Catalase Devoid of Catalytic Activity Protects the Bacterium against Oxidative Stress.

    Science.gov (United States)

    Benoit, Stéphane L; Maier, Robert J

    2016-11-04

    Catalase, a conserved and abundant enzyme found in all domains of life, dissipates the oxidant hydrogen peroxide (H 2 O 2 ). The gastric pathogen Helicobacter pylori undergoes host-mediated oxidant stress exposure, and its catalase contains oxidizable methionine (Met) residues. We hypothesized catalase may play a large stress-combating role independent of its classical catalytic one, namely quenching harmful oxidants through its recyclable Met residues, resulting in oxidant protection to the bacterium. Two Helicobacter mutant strains ( katA H56A and katA Y339A ) containing catalase without enzyme activity but that retain all Met residues were created. These strains were much more resistant to oxidants than a catalase-deletion mutant strain. The quenching ability of the altered versions was shown, whereby oxidant-stressed (HOCl-exposed) Helicobacter retained viability even upon extracellular addition of the inactive versions of catalase, in contrast to cells receiving HOCl alone. The importance of the methionine-mediated quenching to the pathogen residing in the oxidant-rich gastric mucus was studied. In contrast to a catalase-null strain, both site-change mutants proficiently colonized the murine gastric mucosa, suggesting that the amino acid composition-dependent oxidant-quenching role of catalase is more important than the well described H 2 O 2 -dissipating catalytic role. Over 100 years after the discovery of catalase, these findings reveal a new non-enzymatic protective mechanism of action for the ubiquitous enzyme. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  8. Discrete Event System Based Pyroprocessing Modeling and Simulation: Oxide Reduction

    International Nuclear Information System (INIS)

    Lee, H. J.; Ko, W. I.; Choi, S. Y.; Kim, S. K.; Hur, J. M.; Choi, E. Y.; Im, H. S.; Park, K. I.; Kim, I. T.

    2014-01-01

    Dynamic changes according to the batch operation cannot be predicted in an equilibrium material flow. This study began to build a dynamic material balance model based on the previously developed pyroprocessing flowsheet. As a mid- and long-term research, an integrated pyroprocessing simulator is being developed at the Korea Atomic Energy Research Institute (KAERI) to cope with a review on the technical feasibility, safeguards assessment, conceptual design of facility, and economic feasibility evaluation. The most fundamental thing in such a simulator development is to establish the dynamic material flow framework. This study focused on the operation modeling of pyroprocessing to implement a dynamic material flow. As a case study, oxide reduction was investigated in terms of a dynamic material flow. DES based modeling was applied to build a pyroprocessing operation model. A dynamic material flow as the basic framework for an integrated pyroprocessing was successfully implemented through ExtendSim's internal database and item blocks. Complex operation logic behavior was verified, for example, an oxide reduction process in terms of dynamic material flow. Compared to the equilibrium material flow, a model-based dynamic material flow provides such detailed information that a careful analysis of every batch is necessary to confirm the dynamic material balance results. With the default scenario of oxide reduction, the batch mass balance was verified in comparison with a one-year equilibrium mass balance. This study is still under progress with a mid-and long-term goal, the development of a multi-purpose pyroprocessing simulator that is able to cope with safeguards assessment, economic feasibility, technical evaluation, conceptual design, and support of licensing for a future pyroprocessing facility

  9. A microkinetic model of the methanol oxidation over silver

    DEFF Research Database (Denmark)

    Andreasen, A.; Lynggaard, H.; Stegelmann, C.

    2003-01-01

    A simple microkinetic model for the oxidation of methanol on silver based on surface science studies at UHV and low temperatures has been formulated. The reaction mechanism is a simple Langmuir-Hinshelwood mechanism, with one type of active oxygen and one route to formaldehyde and carbon dioxide......, respectively. The model explains observed reaction orders, selectivity, apparent activation enthalpies and the choice of industrial reaction conditions. More interesting the model disproves the notion that the mechanism deduced from surface science in UHV cannot be responsible for formaldehyde synthesis...

  10. VALIDATION OF THE ASTER GLOBAL DIGITAL ELEVATION MODEL VERSION 3 OVER THE CONTERMINOUS UNITED STATES

    Directory of Open Access Journals (Sweden)

    D. Gesch

    2016-06-01

    Full Text Available The ASTER Global Digital Elevation Model Version 3 (GDEM v3 was evaluated over the conterminous United States in a manner similar to the validation conducted for the original GDEM Version 1 (v1 in 2009 and GDEM Version 2 (v2 in 2011. The absolute vertical accuracy of GDEM v3 was calculated by comparison with more than 23,000 independent reference geodetic ground control points from the U.S. National Geodetic Survey. The root mean square error (RMSE measured for GDEM v3 is 8.52 meters. This compares with the RMSE of 8.68 meters for GDEM v2. Another important descriptor of vertical accuracy is the mean error, or bias, which indicates if a DEM has an overall vertical offset from true ground level. The GDEM v3 mean error of −1.20 meters reflects an overall negative bias in GDEM v3. The absolute vertical accuracy assessment results, both mean error and RMSE, were segmented by land cover type to provide insight into how GDEM v3 performs in various land surface conditions. While the RMSE varies little across cover types (6.92 to 9.25 meters, the mean error (bias does appear to be affected by land cover type, ranging from −2.99 to +4.16 meters across 14 land cover classes. These results indicate that in areas where built or natural aboveground features are present, GDEM v3 is measuring elevations above the ground level, a condition noted in assessments of previous GDEM versions (v1 and v2 and an expected condition given the type of stereo-optical image data collected by ASTER. GDEM v3 was also evaluated by differencing with the Shuttle Radar Topography Mission (SRTM dataset. In many forested areas, GDEM v3 has elevations that are higher in the canopy than SRTM. The overall validation effort also included an evaluation of the GDEM v3 water mask. In general, the number of distinct water polygons in GDEM v3 is much lower than the number in a reference land cover dataset, but the total areas compare much more closely.

  11. Validation of the ASTER Global Digital Elevation Model version 3 over the conterminous United States

    Science.gov (United States)

    Gesch, Dean B.; Oimoen, Michael J.; Danielson, Jeffrey J.; Meyer, David; Halounova, L; Šafář, V.; Jiang, J.; Olešovská, H.; Dvořáček, P.; Holland, D.; Seredovich, V.A.; Muller, J.P.; Pattabhi Rama Rao, E.; Veenendaal, B.; Mu, L.; Zlatanova, S.; Oberst, J.; Yang, C.P.; Ban, Y.; Stylianidis, S.; Voženílek, V.; Vondráková, A.; Gartner, G.; Remondino, F.; Doytsher, Y.; Percivall, George; Schreier, G.; Dowman, I.; Streilein, A.; Ernst, J.

    2016-01-01

    The ASTER Global Digital Elevation Model Version 3 (GDEM v3) was evaluated over the conterminous United States in a manner similar to the validation conducted for the original GDEM Version 1 (v1) in 2009 and GDEM Version 2 (v2) in 2011. The absolute vertical accuracy of GDEM v3 was calculated by comparison with more than 23,000 independent reference geodetic ground control points from the U.S. National Geodetic Survey. The root mean square error (RMSE) measured for GDEM v3 is 8.52 meters. This compares with the RMSE of 8.68 meters for GDEM v2. Another important descriptor of vertical accuracy is the mean error, or bias, which indicates if a DEM has an overall vertical offset from true ground level. The GDEM v3 mean error of −1.20 meters reflects an overall negative bias in GDEM v3. The absolute vertical accuracy assessment results, both mean error and RMSE, were segmented by land cover type to provide insight into how GDEM v3 performs in various land surface conditions. While the RMSE varies little across cover types (6.92 to 9.25 meters), the mean error (bias) does appear to be affected by land cover type, ranging from −2.99 to +4.16 meters across 14 land cover classes. These results indicate that in areas where built or natural aboveground features are present, GDEM v3 is measuring elevations above the ground level, a condition noted in assessments of previous GDEM versions (v1 and v2) and an expected condition given the type of stereo-optical image data collected by ASTER. GDEM v3 was also evaluated by differencing with the Shuttle Radar Topography Mission (SRTM) dataset. In many forested areas, GDEM v3 has elevations that are higher in the canopy than SRTM. The overall validation effort also included an evaluation of the GDEM v3 water mask. In general, the number of distinct water polygons in GDEM v3 is much lower than the number in a reference land cover dataset, but the total areas compare much more closely.

  12. Metal Oxide Nanomaterial QNAR Models: Available Structural Descriptors and Understanding of Toxicity Mechanisms

    Directory of Open Access Journals (Sweden)

    Jiali Ying

    2015-10-01

    Full Text Available Metal oxide nanomaterials are widely used in various areas; however, the divergent published toxicology data makes it difficult to determine whether there is a risk associated with exposure to metal oxide nanomaterials. The application of quantitative structure activity relationship (QSAR modeling in metal oxide nanomaterials toxicity studies can reduce the need for time-consuming and resource-intensive nanotoxicity tests. The nanostructure and inorganic composition of metal oxide nanomaterials makes this approach different from classical QSAR study; this review lists and classifies some structural descriptors, such as size, cation charge, and band gap energy, in recent metal oxide nanomaterials quantitative nanostructure activity relationship (QNAR studies and discusses the mechanism of metal oxide nanomaterials toxicity based on these descriptors and traditional nanotoxicity tests.

  13. MARMOT update for oxide fuel modeling

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Schwen, Daniel [Idaho National Lab. (INL), Idaho Falls, ID (United States); Chakraborty, Pritam [Idaho National Lab. (INL), Idaho Falls, ID (United States); Jiang, Chao [Idaho National Lab. (INL), Idaho Falls, ID (United States); Aagesen, Larry [Idaho National Lab. (INL), Idaho Falls, ID (United States); Ahmed, Karim [Idaho National Lab. (INL), Idaho Falls, ID (United States); Jiang, Wen [Idaho National Lab. (INL), Idaho Falls, ID (United States); Biner, Bulent [Idaho National Lab. (INL), Idaho Falls, ID (United States); Bai, Xianming [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Tonks, Michael [Pennsylvania State Univ., University Park, PA (United States); Millett, Paul [Univ. of Arkansas, Fayetteville, AR (United States)

    2016-09-01

    This report summarizes the lower-length-scale research and development progresses in FY16 at Idaho National Laboratory in developing mechanistic materials models for oxide fuels, in parallel to the development of the MARMOT code which will be summarized in a separate report. This effort is a critical component of the microstructure based fuel performance modeling approach, supported by the Fuels Product Line in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. The progresses can be classified into three categories: 1) development of materials models to be used in engineering scale fuel performance modeling regarding the effect of lattice defects on thermal conductivity, 2) development of modeling capabilities for mesoscale fuel behaviors including stage-3 gas release, grain growth, high burn-up structure, fracture and creep, and 3) improved understanding in material science by calculating the anisotropic grain boundary energies in UO$_2$ and obtaining thermodynamic data for solid fission products. Many of these topics are still under active development. They are updated in the report with proper amount of details. For some topics, separate reports are generated in parallel and so stated in the text. The accomplishments have led to better understanding of fuel behaviors and enhance capability of the MOOSE-BISON-MARMOT toolkit.

  14. Shelf-life modeling of bakery products by using oxidation indices.

    Science.gov (United States)

    Calligaris, Sonia; Manzocco, Lara; Kravina, Giuditta; Nicoli, Maria Cristina

    2007-03-07

    The aim of this work was to develop a shelf-life prediction model of lipid-containing bakery products. To this purpose (i) the temperature dependence of the oxidation rate of bakery products was modeled, taking into account the changes in lipid physical state; (ii) the acceptance limits were assessed by sensory analysis; and (iii) the relationship between chemical oxidation index and acceptance limit was evaluated. Results highlight that the peroxide number, the changes of which are linearly related to consumer acceptability, is a representative index of the quality depletion of biscuits during their shelf life. In addition, the evolution of peroxides can be predicted by a modified Arrhenius equation accounting for the changes in the physical state of biscuit fat. Knowledge of the relationship between peroxides and sensory acceptability together with the temperature dependence of peroxide formation allows a mathematical model to be set up to simply and quickly calculate the shelf life of biscuits.

  15. Validity study of the Beck Anxiety Inventory (Portuguese version by the Rasch Rating Scale model

    Directory of Open Access Journals (Sweden)

    Sónia Quintão

    2013-01-01

    Full Text Available Our objective was to conduct a validation study of the Portuguese version of the Beck Anxiety Inventory (BAI by means of the Rasch Rating Scale Model, and then compare it with the most used scales of anxiety in Portugal. The sample consisted of 1,160 adults (427 men and 733 women, aged 18-82 years old (M=33.39; SD=11.85. Instruments were Beck Anxiety Inventory, State-Trait Anxiety Inventory and Zung Self-Rating Anxiety Scale. It was found that Beck Anxiety Inventory's system of four categories, the data-model fit, and people reliability were adequate. The measure can be considered as unidimensional. Gender and age-related differences were not a threat to the validity. BAI correlated significantly with other anxiety measures. In conclusion, BAI shows good psychometric quality.

  16. Factorial and construct validity of Portuguese version (Brazil Bergen Facebook Addiction Scale

    Directory of Open Access Journals (Sweden)

    Hugo Rafael de Souza e Silva

    Full Text Available ABSTRACT Objective To evaluate factorial and construct validity of the Brazilian Portuguese version of the Bergen Facebook Addiction Scale (BFAS-BR. Methods A sociodemographic questionnaire, the Brazilian Portuguese versions of Online Cognition Scale (OCS-BR and of BFAS-BR were applied to a sample of Health Undergraduate (n = 356. Construct validity evidences were verified through the Confirmatory Factor Analysis. Discriminant validity was examined by correlational analysis between the version of the BFAS-BR and OCS-BR. Results Proposed factorial model of BFAS did not present a good quality adjustment. So, a model restructuring was necessary from behavioral addiction theoretical views and new model presented satisfactory adjustment quality and construct validity evidence. Correlation between both tested scales was strong (ρ = 0.707 and, therefore, they measure the same construct. Conclusion The BFAS-BR show adequate factorial and construct validity.

  17. GREET 1.5 - transportation fuel-cycle model - Vol. 1 : methodology, development, use, and results

    International Nuclear Information System (INIS)

    Wang, M. Q.

    1999-01-01

    This report documents the development and use of the most recent version (Version 1.5) of the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model. The model, developed in a spreadsheet format, estimates the full fuel-cycle emissions and energy associated with various transportation fuels and advanced vehicle technologies for light-duty vehicles. The model calculates fuel-cycle emissions of five criteria pollutants (volatile organic compounds, carbon monoxide, nitrogen oxides, particulate matter with diameters of 10 micrometers or less, and sulfur oxides) and three greenhouse gases (carbon dioxide, methane, and nitrous oxide). The model also calculates total energy consumption, fossil fuel consumption, and petroleum consumption when various transportation fuels are used. The GREET model includes the following cycles: petroleum to conventional gasoline, reformulated gasoline, conventional diesel, reformulated diesel, liquefied petroleum gas, and electricity via residual oil; natural gas to compressed natural gas, liquefied natural gas, liquefied petroleum gas, methanol, Fischer-Tropsch diesel, dimethyl ether, hydrogen, and electricity; coal to electricity; uranium to electricity; renewable energy (hydropower, solar energy, and wind) to electricity; corn, woody biomass, and herbaceous biomass to ethanol; soybeans to biodiesel; flared gas to methanol, dimethyl ether, and Fischer-Tropsch diesel; and landfill gases to methanol. This report also presents the results of the analysis of fuel-cycle energy use and emissions associated with alternative transportation fuels and advanced vehicle technologies to be applied to passenger cars and light-duty trucks

  18. Generalized first-order kinetic model for biosolids decomposition and oxidation during hydrothermal treatment.

    Science.gov (United States)

    Shanableh, A

    2005-01-01

    The main objective of this study was to develop generalized first-order kinetic models to represent hydrothermal decomposition and oxidation of biosolids within a wide range of temperatures (200-450 degrees C). A lumping approach was used in which oxidation of the various organic ingredients was characterized by the chemical oxygen demand (COD), and decomposition was characterized by the particulate (i.e., nonfilterable) chemical oxygen demand (PCOD). Using the Arrhenius equation (k = k(o)e(-Ea/RT)), activation energy (Ea) levels were derived from 42 continuous-flow hydrothermal treatment experiments conducted at temperatures in the range of 200-450 degrees C. Using predetermined values for k(o) in the Arrhenius equation, the activation energies of the various organic ingredients were separated into 42 values for oxidation and a similar number for decomposition. The activation energy values were then classified into levels representing the relative ease at which the organic ingredients of the biosolids were oxidized or decomposed. The resulting simple first-order kinetic models adequately represented, within the experimental data range, hydrothermal decomposition of the organic particles as measured by PCOD and oxidation of the organic content as measured by COD. The modeling approach presented in the paper provide a simple and general framework suitable for assessing the relative reaction rates of the various organic ingredients of biosolids.

  19. Advanced impedance modeling of solid oxide electrochemical cells

    DEFF Research Database (Denmark)

    Graves, Christopher R.; Hjelm, Johan

    2014-01-01

    Impedance spectroscopy is a powerful technique for detailed study of the electrochemical and transport processes that take place in fuel cells and electrolysis cells, including solid oxide cells (SOCs). Meaningful analysis of impedance measurements is nontrivial, however, because a large number...... techniques to provide good guesses for the modeling parameters, like transforming the impedance data to the distribution of relaxation times (DRT), together with experimental parameter sensitivity studies, is the state-of-the-art approach to achieve good EC model fits. Here we present new impedance modeling...... electrode and 2-D gas transport models which have fewer unknown parameters for the same number of processes, (ii) use of a new model fitting algorithm, “multi-fitting”, in which multiple impedance spectra are fit simultaneously with parameters linked based on the variation of measurement conditions, (iii...

  20. Oxidative Damage and Cellular Defense Mechanisms in Sea Urchin Models of Aging

    Science.gov (United States)

    Du, Colin; Anderson, Arielle; Lortie, Mae; Parsons, Rachel; Bodnar, Andrea

    2013-01-01

    The free radical or oxidative stress theory of aging proposes that the accumulation of oxidative cellular damage is a major contributor to the aging process and a key determinant of species longevity. This study investigates the oxidative stress theory in a novel model for aging research, the sea urchin. Sea urchins present a unique model for the study of aging due to the existence of species with tremendously different natural life spans including some species with extraordinary longevity and negligible senescence. Cellular oxidative damage, antioxidant capacity and proteasome enzyme activities were measured in the tissues of three sea urchin species: short-lived Lytechinus variegatus, long-lived Strongylocentrotus franciscanus and Strongylocentrotus purpuratus which has an intermediate lifespan. Levels of protein carbonyls and 4-hydroxynonenal (HNE) measured in tissues (muscle, nerve, esophagus, gonad, coelomocytes, ampullae) and 8-hydroxy-2’-deoxyguanosine (8-OHdG) measured in cell-free coelomic fluid showed no general increase with age. The fluorescent age-pigment lipofuscin measured in muscle, nerve and esophagus, increased with age however it appeared to be predominantly extracellular. Antioxidant mechanisms (total antioxidant capacity, superoxide dismutase) and proteasome enzyme activities were maintained with age. In some instances, levels of oxidative damage were lower and antioxidant activity higher in cells or tissues of the long-lived species compared to the short-lived species, however further studies are required to determine the relationship between oxidative damage and longevity in these animals. Consistent with the predictions of the oxidative stress theory of aging, the results suggest that negligible senescence is accompanied by a lack of accumulation of cellular oxidative damage with age and maintenance of antioxidant capacity and proteasome enzyme activities may be important mechanisms to mitigate damage. PMID:23707327

  1. Modeling of thermo-mechanical and irradiation behavior of mixed oxide fuel for sodium fast reactors

    International Nuclear Information System (INIS)

    Karahan, Aydin; Buongiorno, Jacopo

    2010-01-01

    An engineering code to model the irradiation behavior of UO 2 -PuO 2 mixed oxide fuel pins in sodium-cooled fast reactors was developed. The code was named fuel engineering and structural analysis tool (FEAST-OXIDE). FEAST-OXIDE has several modules working in coupled form with an explicit numerical algorithm. These modules describe: (1) fission gas release and swelling, (2) fuel chemistry and restructuring, (3) temperature distribution, (4) fuel-clad chemical interaction and (5) fuel-clad mechanical analysis. Given the fuel pin geometry, composition and irradiation history, FEAST-OXIDE can analyze fuel and cladding thermo-mechanical behavior at both steady-state and design-basis transient scenarios. The code was written in FORTRAN-90 program language. The mechanical analysis module implements the LIFE algorithm. Fission gas release and swelling behavior is described by the OGRES and NEFIG models. However, the original OGRES model has been extended to include the effects of joint oxide gain (JOG) formation on fission gas release and swelling. A detailed fuel chemistry model has been included to describe the cesium radial migration and JOG formation, oxygen and plutonium radial distribution and the axial migration of cesium. The fuel restructuring model includes the effects of as-fabricated porosity migration, irradiation-induced fuel densification, grain growth, hot pressing and fuel cracking and relocation. Finally, a kinetics model is included to predict the clad wastage formation. FEAST-OXIDE predictions have been compared to the available FFTF, EBR-II and JOYO databases, as well as the LIFE-4 code predictions. The agreement was found to be satisfactory for steady-state and slow-ramp over-power accidents.

  2. Modeling of thermo-mechanical and irradiation behavior of mixed oxide fuel for sodium fast reactors

    Energy Technology Data Exchange (ETDEWEB)

    Karahan, Aydin, E-mail: karahan@mit.ed [Center for Advanced Nuclear Energy Systems, Nuclear Science and Engineering Department, Massachusetts Institute of Technology, MA (United States); Buongiorno, Jacopo [Center for Advanced Nuclear Energy Systems, Nuclear Science and Engineering Department, Massachusetts Institute of Technology, MA (United States)

    2010-01-31

    An engineering code to model the irradiation behavior of UO{sub 2}-PuO{sub 2} mixed oxide fuel pins in sodium-cooled fast reactors was developed. The code was named fuel engineering and structural analysis tool (FEAST-OXIDE). FEAST-OXIDE has several modules working in coupled form with an explicit numerical algorithm. These modules describe: (1) fission gas release and swelling, (2) fuel chemistry and restructuring, (3) temperature distribution, (4) fuel-clad chemical interaction and (5) fuel-clad mechanical analysis. Given the fuel pin geometry, composition and irradiation history, FEAST-OXIDE can analyze fuel and cladding thermo-mechanical behavior at both steady-state and design-basis transient scenarios. The code was written in FORTRAN-90 program language. The mechanical analysis module implements the LIFE algorithm. Fission gas release and swelling behavior is described by the OGRES and NEFIG models. However, the original OGRES model has been extended to include the effects of joint oxide gain (JOG) formation on fission gas release and swelling. A detailed fuel chemistry model has been included to describe the cesium radial migration and JOG formation, oxygen and plutonium radial distribution and the axial migration of cesium. The fuel restructuring model includes the effects of as-fabricated porosity migration, irradiation-induced fuel densification, grain growth, hot pressing and fuel cracking and relocation. Finally, a kinetics model is included to predict the clad wastage formation. FEAST-OXIDE predictions have been compared to the available FFTF, EBR-II and JOYO databases, as well as the LIFE-4 code predictions. The agreement was found to be satisfactory for steady-state and slow-ramp over-power accidents.

  3. Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model - Part 1: Assessing the influence of constrained multi-generational ageing

    Science.gov (United States)

    Jathar, S. H.; Cappa, C. D.; Wexler, A. S.; Seinfeld, J. H.; Kleeman, M. J.

    2016-02-01

    Multi-generational oxidation of volatile organic compound (VOC) oxidation products can significantly alter the mass, chemical composition and properties of secondary organic aerosol (SOA) compared to calculations that consider only the first few generations of oxidation reactions. However, the most commonly used state-of-the-science schemes in 3-D regional or global models that account for multi-generational oxidation (1) consider only functionalization reactions but do not consider fragmentation reactions, (2) have not been constrained to experimental data and (3) are added on top of existing parameterizations. The incomplete description of multi-generational oxidation in these models has the potential to bias source apportionment and control calculations for SOA. In this work, we used the statistical oxidation model (SOM) of Cappa and Wilson (2012), constrained by experimental laboratory chamber data, to evaluate the regional implications of multi-generational oxidation considering both functionalization and fragmentation reactions. SOM was implemented into the regional University of California at Davis / California Institute of Technology (UCD/CIT) air quality model and applied to air quality episodes in California and the eastern USA. The mass, composition and properties of SOA predicted using SOM were compared to SOA predictions generated by a traditional two-product model to fully investigate the impact of explicit and self-consistent accounting of multi-generational oxidation.Results show that SOA mass concentrations predicted by the UCD/CIT-SOM model are very similar to those predicted by a two-product model when both models use parameters that are derived from the same chamber data. Since the two-product model does not explicitly resolve multi-generational oxidation reactions, this finding suggests that the chamber data used to parameterize the models captures the majority of the SOA mass formation from multi-generational oxidation under the conditions

  4. LLNL Yucca Mountain project - near-field environment characterization technical area: Letter report: EQ3/6 version 8: differences from version 7

    Energy Technology Data Exchange (ETDEWEB)

    Wolery, T.J.

    1994-09-29

    EQ3/6 is a software package for geochemical modeling of aqueous systems, such as water/rock or waste/water rock. It is being developed for a variety of applications in geochemical studies for the Yucca Mountain Site Characterization Project. The software has been extensively rewritten for Version 8. The source code has been extensively modernized. The software is now written in Fortran 77 with the most common extensions that are part of the new Fortran 90 standard. The architecture of the software has been improved for better performance and to allow the incorporation of new functional capabilities in Version 8 and planned subsequent versions. In particular, the structure of the major data arrays has been significantly altered and extended. Three new major functional capabilities have been incorporated in Version 8. The first of these allows the treatment of redox disequilibrium in reaction-path modeling. This is a natural extension of the long-running capability of providing for such disequilibrium in static speciation-solubility calculations. Such a capability is important, for example, when dealing with systems containing organic species and certain dissolved gas species. The user defines (and sets the controls for) the components in disequilibrium. Such corrections can now be made if the requisite data are present on a supporting data file. At present, this capability is supported only by the SHV data file, which is based on SUPCRT92. Equilibrium constants and other thermodynamic quantities are correct1961ed for pressures which lie off a standard curve, which is defined on the supporting data file and ordinarily corresponds to 1.013 bar up to IOOC, and the steam/liquid water equilibrium pressure up to 300C. The third new major capability is generic ion exchange option previously developed in prototype in a branch Version 7 level version of EQ3/6 by Brian Viani, Bill Bourcier, and Carol Bruton. This option has been modified to fit into the Version 8 data

  5. HANSF 1.3 Users Manual FAI/98-40-R2 Hanford Spent Nuclear Fuel (SNF) Safety Analysis Model [SEC 1 and 2

    Energy Technology Data Exchange (ETDEWEB)

    DUNCAN, D.R.

    1999-10-07

    The HANSF analysis tool is an integrated model considering phenomena inside a multi-canister overpack (MCO) spent nuclear fuel container such as fuel oxidation, convective and radiative heat transfer, and the potential for fission product release. This manual reflects the HANSF version 1.3.2, a revised version of 1.3.1. HANSF 1.3.2 was written to correct minor errors and to allow modeling of condensate flow on the MCO inner surface. HANSF 1.3.2 is intended for use on personal computers such as IBM-compatible machines with Intel processors running under Lahey TI or digital Visual FORTRAN, Version 6.0, but this does not preclude operation in other environments.

  6. Optimization of operating conditions in oxidation of dibenzothiophene in the light hydrocarbon model

    Directory of Open Access Journals (Sweden)

    Akbari Azam

    2014-01-01

    Full Text Available In this research, the effects of process variables on the efficiency and mechanism of dibenzothiophene oxidation in formicacid/H2O2 system for deep desulfurization of a light hydrocarbon model were systematically studied by statistical modelling and optimization using response surface methodology and implementing the central composite design. A quadratic regression model was developed to predict the yield of sulfur oxidation as the model response. The model indicated that temperature was the most significant effective factor and suggested an important interaction between temperature and H2O2/sulfur ratio; at temperatures above 56°C, more excess oxidant was necessary because of instability of active peroxo intermediates and loss of H2O2 due to thermal decomposition. In contrast, the water hindrance effect of H2O2 aqueous solution in desulfurization progress was more significant at temperatures bellow 56°C. In the optimization process, minimizing H2O2/sulfur ratio and catalyst consumption for maximum yield of desulfurization was economically considerable. The optimal condition was obtained at temperature of 57 °C, H2O2/sulfur ratio of 2.5 mol/mol and catalyst dosage of 0.82 mL in 50 mL solution of DBT in n-hexane leading to a maximum oxidation yield of 95% after 1 hour reaction. Good agreement between predicted and experimental results (less than 4% error was found.

  7. Non steady-state model for dry oxidation of nuclear wastes metallic containers in long term interim storage conditions

    International Nuclear Information System (INIS)

    Bertrand, Nathalie; Desgranges, Clara; Poquillon, Dominique; Monceau, Daniel

    2006-01-01

    For high-level nuclear waste containers in long-term interim storage, dry oxidation will be the first and the main degradation mode. The reason is that, for this kind of waste, the temperature on the surface of the containers will be high enough to avoid any condensation phenomena for several years. Even if the scale growth kinetics is expected to be very slow since the temperature will be moderate at the beginning of the storage (around 300 deg. C) and will keep on decreasing, the metal thickness lost by dry oxidation over such a long period must be evaluated with a good reliability. To achieve this goal, modelling of the oxide scale growth is necessary and this is the aim of the dry oxidation studies, performed in the frame of the COCON programme. All existing oxidation models are based on the two main oxidation theories developed by Wagner between the 1930's and 1970's on the one hand, and by Cabrera and Mott in the 1960 and next by Fromhold on the other hand. These used to be associated with high temperature behaviour for Wagner's theory and with low temperature for the second one. Indeed it is certainly more relevant to consider their range of application in terms of the oxide scale thickness rather than in terms of temperature. The question is posed about which theory should an appropriate model rely on. It can be expected that the oxide scale could have a thickness ranging from a few tens of nanometers up to several tens of micrometers depending on temperature and class of alloys chosen. At the present time, low-alloyed steels or carbon steels are considered candidate materials for high-level nuclear waste containers in long term interim storage. For this type of alloys, the scale formed during the dry oxidation stage will be 'rapidly' thick enough to neglect the Mott field. Hence, in a first step, some basic models based on a parabolic rate assumption, that is to say Wagner's model, have been derived from experimental data on iron and on low-alloy steel

  8. Systems Biology Markup Language (SBML) Level 2 Version 5: Structures and Facilities for Model Definitions.

    Science.gov (United States)

    Hucka, Michael; Bergmann, Frank T; Dräger, Andreas; Hoops, Stefan; Keating, Sarah M; Le Novère, Nicolas; Myers, Chris J; Olivier, Brett G; Sahle, Sven; Schaff, James C; Smith, Lucian P; Waltemath, Dagmar; Wilkinson, Darren J

    2015-09-04

    Computational models can help researchers to interpret data, understand biological function, and make quantitative predictions. The Systems Biology Markup Language (SBML) is a file format for representing computational models in a declarative form that can be exchanged between different software systems. SBML is oriented towards describing biological processes of the sort common in research on a number of topics, including metabolic pathways, cell signaling pathways, and many others. By supporting SBML as an input/output format, different tools can all operate on an identical representation of a model, removing opportunities for translation errors and assuring a common starting point for analyses and simulations. This document provides the specification for Version 5 of SBML Level 2. The specification defines the data structures prescribed by SBML as well as their encoding in XML, the eXtensible Markup Language. This specification also defines validation rules that determine the validity of an SBML document, and provides many examples of models in SBML form. Other materials and software are available from the SBML project web site, http://sbml.org.

  9. Systems Biology Markup Language (SBML Level 2 Version 5: Structures and Facilities for Model Definitions

    Directory of Open Access Journals (Sweden)

    Hucka Michael

    2015-06-01

    Full Text Available Computational models can help researchers to interpret data, understand biological function, and make quantitative predictions. The Systems Biology Markup Language (SBML is a file format for representing computational models in a declarative form that can be exchanged between different software systems. SBML is oriented towards describing biological processes of the sort common in research on a number of topics, including metabolic pathways, cell signaling pathways, and many others. By supporting SBML as an input/output format, different tools can all operate on an identical representation of a model, removing opportunities for translation errors and assuring a common starting point for analyses and simulations. This document provides the specification for Version 5 of SBML Level 2. The specification defines the data structures prescribed by SBML as well as their encoding in XML, the eXtensible Markup Language. This specification also defines validation rules that determine the validity of an SBML document, and provides many examples of models in SBML form. Other materials and software are available from the SBML project web site, http://sbml.org/.

  10. A model of pyritic oxidation in waste rock dumps

    International Nuclear Information System (INIS)

    Davis, G.B.; Ritchie, A.I.M.

    1983-01-01

    The oxidation of pyrite can lead to high acid levels and high concentrations of trace metals in the water that runs off and percolates through pyritic material. This is the situation at the abandoned uranium mine at Rum Jungle in the Northern Territory of Australia, where pyritic oxidation in the waste rock dumps resulting from open cut mining of the uranium orebody has led to pollution of the nearby East Branch of the Finniss River, with trace metals such as copper, manganese and zinc. Mathematical equations are formulated which describe a model of pyritic oxidation within a waste rock dump, where it is assumed that oxygen transport is the rate limiting step in the oxidation process and that oxygen is transported by gaseous diffusion through the pore space of the dump, followed by diffusion into oxidation sites within the particles that comprise the dump. The equations have been solved numerically assuming values for such parameters as porosity, sulphur density and oxygen diffusion coefficients which are applicable to the waste rock dumps at Rum Jungle. An approximate solution to the equations is also presented. Calculations of the heat source distribution and the total SO 4 production rate are presented for both single size particles and for a range of particle sizes in the dump. The usefulness of the approximate solution, and of calculations based on single size particles in the dump in assessing the effectiveness of strategies to reduce pollution from such waste rock dumps are discussed

  11. Improved stratospheric atmosphere forecasts in the general circulation model through a methane oxidation parametrization

    Science.gov (United States)

    Wang, S.; Jun, Z.

    2017-12-01

    Climatic characteristics of tropical stratospheric methane have been well researched using various satellite data, and numerical simulations have furtherly conducted using chemical climatic models, while the impact of stratospheric methane oxidation on distribution of water vapor is not paid enough attention in general circulation models. Simulated values of water vapour in the tropical upper stratosphere, and throughout much of the extratropical stratosphere, were too low. Something must be done to remedy this deficiency in order to producing realistic stratospheric water vapor using a general circulation model including the whole stratosphere. Introduction of a simple parametrization of the upper-stratospheric moisture source due to methane oxidation and a sink due to photolysis in the mesosphere was conducted. Numerical simulations and analysis of the influence of stratospheric methane on the prediction of tropical stratospheric moisture and temperature fields were carried out. This study presents the advantages of methane oxidation parametrization in producing a realistic distribution of water vapour in the tropical stratosphere and analyzes the impact of methane chemical process on the general circulation model using two storm cases including a heavy rain in South China and a typhoon caused tropical storm.It is obvious that general circulation model with methane oxidation parametrization succeeds in simulating the water vapor and temperature in stratosphere. The simulating rain center value of contrast experiment is increased up to 10% than that of the control experiment. Introduction of methane oxidation parametrization has modified the distribution of water vapour and then producing a broadly realistic distribution of temperature. Objective weather forecast verifications have been performed using simulating results of one month, which demonstrate somewhat positive effects on the model skill. There is a certain extent impact of methane oxidation

  12. A Systems Engineering Capability Maturity Model, Version 1.1,

    Science.gov (United States)

    1995-11-01

    of a sequence of actions to be taken to perform a given task. [SECMM] 1. A set of activities ( ISO 12207 ). 2. A set of practices that address the...standards One of the design goals of the SE-CMM effort was to capture the salient concepts from emerging standards and initiatives (e.g.; ISO 9001...history for the SE-CMM: Version Designator Content Change Notes Release 1 • architecture rationale • Process Areas • ISO (SPICE) BPG 0.05 summary

  13. Oxidative stress of crystalline lens in rat menopausal model

    OpenAIRE

    Acer, Semra; Pekel, Gökhan; Küçükatay, Vural; Karabulut, Aysun; Yağcı, Ramazan; Çetin, Ebru Nevin; Akyer, Şahika Pınar; Şahin, Barbaros

    2016-01-01

    ABSTRACT Purpose: To evaluate lenticular oxidative stress in rat menopausal models. Methods: Forty Wistar female albino rats were included in this study. A total of thirty rats underwent oophorectomy to generate a menopausal model. Ten rats that did not undergo oophorectomy formed the control group (Group 1). From the rats that underwent oophorectomy, 10 formed the menopause control group (Group 2), 10 were administered a daily injection of methylprednisolone until the end of the study (Gro...

  14. A coupled mechanical-chemical model for reflecting the influence of stress on oxidation reactions in thermal barrier coating

    Science.gov (United States)

    Chen, Lin; Yueming, Li

    2018-06-01

    In this paper, a coupled mechanical-chemical model is established based on the thermodynamic framework, in which the contribution of chemical expansion to free energy is introduced. The stress-dependent chemical potential equilibrium at the gas-solid interface and the stress gradient-dependent diffusion equation as well as a so-called generalized force which is conjugate to the oxidation rate are derived from the proposed model, which could reflect the influence of stresses on the oxidation reaction. Based on the proposed coupled mechanical-chemical model, a user element subroutine is developed in ABAQUS. The numerical simulation of the high temperature oxidation in the thermal barrier coating is carried out to verify the accuracy of the proposed model, and then the influence of stresses on the oxidation reaction is investigated. In thermally grown oxide, the considerable stresses would be induced by permanent volumetric swelling during the oxidation. The stresses play an important role in the chemical potential equilibrium at the gas-solid interface and strongly affect the oxidation reaction. The gradient of the stresses, however, only occurs in the extremely thin oxidation front layer, which plays a very limited role in the oxidation reaction. The generalized force could be divided into the stress-dependent and the stress-independent parts. Comparing with the stress-independent part, the stress-dependent part is smaller, which has little influence on oxidation reaction.

  15. Modeling of PWR fuel at extended burnup; Estudo de modelos para o comportamento a altas queimas de varetas combustiveis de reatores a agua leve pressurizada

    Energy Technology Data Exchange (ETDEWEB)

    Dias, Raphael Mejias

    2016-11-01

    This work studies the modifications implemented over successive versions in the empirical models of the computer program FRAPCON used to simulate the steady state irradiation performance of Pressurized Water Reactor (PWR) fuel rods under high burnup condition. In the study, the empirical models present in FRAPCON official documentation were analyzed. A literature study was conducted on the effects of high burnup in nuclear fuels and to improve the understanding of the models used by FRAPCON program in these conditions. A steady state fuel performance analysis was conducted for a typical PWR fuel rod using FRAPCON program versions 3.3, 3.4, and 3.5. The results presented by the different versions of the program were compared in order to verify the impact of model changes in the output parameters of the program. It was observed that the changes brought significant differences in the results of the fuel rod thermal and mechanical parameters, especially when they evolved from FRAPCON-3.3 version to FRAPCON-3.5 version. Lower temperatures, lower cladding stress and strain, lower cladding oxide layer thickness were obtained in the fuel rod analyzed with the FRAPCON-3.5 version. (author)

  16. Helicobacter Catalase Devoid of Catalytic Activity Protects the Bacterium against Oxidative Stress*♦

    Science.gov (United States)

    Benoit, Stéphane L.; Maier, Robert J.

    2016-01-01

    Catalase, a conserved and abundant enzyme found in all domains of life, dissipates the oxidant hydrogen peroxide (H2O2). The gastric pathogen Helicobacter pylori undergoes host-mediated oxidant stress exposure, and its catalase contains oxidizable methionine (Met) residues. We hypothesized catalase may play a large stress-combating role independent of its classical catalytic one, namely quenching harmful oxidants through its recyclable Met residues, resulting in oxidant protection to the bacterium. Two Helicobacter mutant strains (katAH56A and katAY339A) containing catalase without enzyme activity but that retain all Met residues were created. These strains were much more resistant to oxidants than a catalase-deletion mutant strain. The quenching ability of the altered versions was shown, whereby oxidant-stressed (HOCl-exposed) Helicobacter retained viability even upon extracellular addition of the inactive versions of catalase, in contrast to cells receiving HOCl alone. The importance of the methionine-mediated quenching to the pathogen residing in the oxidant-rich gastric mucus was studied. In contrast to a catalase-null strain, both site-change mutants proficiently colonized the murine gastric mucosa, suggesting that the amino acid composition-dependent oxidant-quenching role of catalase is more important than the well described H2O2-dissipating catalytic role. Over 100 years after the discovery of catalase, these findings reveal a new non-enzymatic protective mechanism of action for the ubiquitous enzyme. PMID:27605666

  17. Modeling nitrous oxide production during biological nitrogen removal via nitrification and denitrification: extensions to the general ASM models.

    Science.gov (United States)

    Ni, Bing-Jie; Ruscalleda, Maël; Pellicer-Nàcher, Carles; Smets, Barth F

    2011-09-15

    Nitrous oxide (N(2)O) can be formed during biological nitrogen (N) removal processes. In this work, a mathematical model is developed that describes N(2)O production and consumption during activated sludge nitrification and denitrification. The well-known ASM process models are extended to capture N(2)O dynamics during both nitrification and denitrification in biological N removal. Six additional processes and three additional reactants, all involved in known biochemical reactions, have been added. The validity and applicability of the model is demonstrated by comparing simulations with experimental data on N(2)O production from four different mixed culture nitrification and denitrification reactor study reports. Modeling results confirm that hydroxylamine oxidation by ammonium oxidizers (AOB) occurs 10 times slower when NO(2)(-) participates as final electron acceptor compared to the oxic pathway. Among the four denitrification steps, the last one (N(2)O reduction to N(2)) seems to be inhibited first when O(2) is present. Overall, N(2)O production can account for 0.1-25% of the consumed N in different nitrification and denitrification systems, which can be well simulated by the proposed model. In conclusion, we provide a modeling structure, which adequately captures N(2)O dynamics in autotrophic nitrification and heterotrophic denitrification driven biological N removal processes and which can form the basis for ongoing refinements.

  18. Nonlinear Model Predictive Control for Solid Oxide Fuel Cell System Based On Wiener Model

    OpenAIRE

    T. H. Lee; J. H. Park; S. M. Lee; S. C. Lee

    2010-01-01

    In this paper, we consider Wiener nonlinear model for solid oxide fuel cell (SOFC). The Wiener model of the SOFC consists of a linear dynamic block and a static output non-linearity followed by the block, in which linear part is approximated by state-space model and the nonlinear part is identified by a polynomial form. To control the SOFC system, we have to consider various view points such as operating conditions, another constraint conditions, change of load current and so on. A change of ...

  19. Modeling low-dose-rate effects in irradiated bipolar-base oxides

    International Nuclear Information System (INIS)

    Graves, R.J.; Cirba, C.R.; Schrimpf, R.D.; Milanowski, R.J.; Saigne, F.; Michez, A.; Fleetwood, D.M.; Witczak, S.C.

    1997-02-01

    A physical model is developed to quantify the contribution of oxide-trapped charge to enhanced low-dose-rate gain degradation in BJTs. Simulations show that space charge limited transport is partially responsible for the low-dose-rate enhancement

  20. ASTER Global Digital Elevation Model Version 2 - summary of validation results

    Science.gov (United States)

    Tachikawa, Tetushi; Kaku, Manabu; Iwasaki, Akira; Gesch, Dean B.; Oimoen, Michael J.; Zhang, Z.; Danielson, Jeffrey J.; Krieger, Tabatha; Curtis, Bill; Haase, Jeff; Abrams, Michael; Carabajal, C.; Meyer, Dave

    2011-01-01

    On June 29, 2009, NASA and the Ministry of Economy, Trade and Industry (METI) of Japan released a Global Digital Elevation Model (GDEM) to users worldwide at no charge as a contribution to the Global Earth Observing System of Systems (GEOSS). This “version 1” ASTER GDEM (GDEM1) was compiled from over 1.2 million scenebased DEMs covering land surfaces between 83°N and 83°S latitudes. A joint U.S.-Japan validation team assessed the accuracy of the GDEM1, augmented by a team of 20 cooperators. The GDEM1 was found to have an overall accuracy of around 20 meters at the 95% confidence level. The team also noted several artifacts associated with poor stereo coverage at high latitudes, cloud contamination, water masking issues and the stacking process used to produce the GDEM1 from individual scene-based DEMs (ASTER GDEM Validation Team, 2009). Two independent horizontal resolution studies estimated the effective spatial resolution of the GDEM1 to be on the order of 120 meters.

  1. Comparative kinetic and energetic modelling of phyllosemiquinone oxidation in Photosystem I.

    Science.gov (United States)

    Santabarbara, Stefano; Zucchelli, Giuseppe

    2016-04-14

    The oxidation kinetics of phyllo(semi)quinone (PhQ), which acts as an electron transfer (ET) intermediate in the Photosystem I reaction centre, are described by a minimum of two exponential phases, characterised by lifetimes in the 10-30 ns and 150-300 ns ranges. The fastest phase is considered to be dominated by the oxidation of the PhQ molecule coordinated by the PsaB reaction centre subunit (PhQB), and the slowest phase is dominated by the oxidation of the PsaA coordinated PhQ (PhQA). Testing different energetic schemes within a unified theory-based kinetic modelling approach provides reliable limit-values for some of the physical-chemical parameters controlling these ET reactions: (i) the value of ΔG(0) associated with PhQA oxidation is smaller than ∼+30 meV; (ii) the value of the total reorganisation energy (λt) likely exceeds 0.7 eV; (iii) different mean nuclear modes are coupled to PhQB and PhQA oxidation, the former being larger, and both being ≥100 cm(-1).

  2. Selective cleavage of the C(α)-C(β) linkage in lignin model compounds via Baeyer-Villiger oxidation.

    Science.gov (United States)

    Patil, Nikhil D; Yao, Soledad G; Meier, Mark S; Mobley, Justin K; Crocker, Mark

    2015-03-21

    Lignin is an amorphous aromatic polymer derived from plants and is a potential source of fuels and bulk chemicals. Herein, we present a survey of reagents for selective stepwise oxidation of lignin model compounds. Specifically, we have targeted the oxidative cleavage of Cα-Cβ bonds as a means to depolymerize lignin and obtain useful aromatic compounds. In this work, we prepared several lignin model compounds that possess structures, characteristic reactivity, and linkages closely related to the parent lignin polymer. We observed that selective oxidation of benzylic hydroxyl groups, followed by Baeyer-Villiger oxidation of the resulting ketones, successfully cleaves the Cα-Cβ linkage in these model compounds.

  3. Air oxidation of Zircaloy-4 in the 600-1000 °C temperature range: Modeling for ASTEC code application

    Science.gov (United States)

    Coindreau, O.; Duriez, C.; Ederli, S.

    2010-10-01

    Progress in the treatment of air oxidation of zirconium in severe accident (SA) codes are required for a reliable analysis of severe accidents involving air ingress. Air oxidation of zirconium can actually lead to accelerated core degradation and increased fission product release, especially for the highly-radiotoxic ruthenium. This paper presents a model to simulate air oxidation kinetics of Zircaloy-4 in the 600-1000 °C temperature range. It is based on available experimental data, including separate-effect experiments performed at IRSN and at Forschungszentrum Karlsruhe. The kinetic transition, named "breakaway", from a diffusion-controlled regime to an accelerated oxidation is taken into account in the modeling via a critical mass gain parameter. The progressive propagation of the locally initiated breakaway is modeled by a linear increase in oxidation rate with time. Finally, when breakaway propagation is completed, the oxidation rate stabilizes and the kinetics is modeled by a linear law. This new modeling is integrated in the severe accident code ASTEC, jointly developed by IRSN and GRS. Model predictions and experimental data from thermogravimetric results show good agreement for different air flow rates and for slow temperature transient conditions.

  4. Oxidation of organics in water in microfluidic electrochemical reactors: Theoretical model and experiments

    International Nuclear Information System (INIS)

    Scialdone, Onofrio; Guarisco, Chiara; Galia, Alessandro

    2011-01-01

    The electrochemical oxidation of organics in water performed in micro reactors on boron doped diamond (BDD) anode was investigated both theoretically and experimentally in order to find the influence of various operative parameters on the conversion and the current efficiency CE of the process. The electrochemical oxidation of formic acid (FA) was selected as a model case. High conversions for a single passage of the electrolytic solution inside the cell were obtained by operating with proper residence times and low distances between cathode and anode. The effect of initial concentration, flow rate and current density was investigated in detail. Theoretical predictions were in very good agreement with experimental results for both mass transfer control, oxidation reaction control and mixed kinetic regimes in spite of the fact that no adjustable parameters was used. Mass transfer process was successfully modelled by considering for simplicity a constant Sh number (e.g., a constant mass transfer coefficient k m ) for a process performed with no high values of the current intensity to minimize the effect of the gas bubbling on the flowdynamic pattern. For mixed kinetic regimes, two different modelling approaches were used. In the first one, the oxidation of organics at BDD was assumed to be mass transfer controlled and to occur with an intrinsic 100% CE when applied current density is higher than the limiting current density. In the second case, the CE of the process was modelled assuming that the competition between organic and water oxidation depends only on the electrodic material and on the nature and the concentration of the organic. In the latter case a better agreement between experimental data and theoretical predictions was observed.

  5. A psychometric evaluation of the Swedish version of the Research Utilization Questionnaire using a Rasch measurement model.

    Science.gov (United States)

    Lundberg, Veronica; Boström, Anne-Marie; Malinowsky, Camilla

    2017-07-30

    Evidence-based practice and research utilisation has become a commonly used concept in health care. The Research Utilization Questionnaire (RUQ) has been recognised to be a widely used instrument measuring the perception of research utilisation among nursing staff in clinical practice. Few studies have however analysed the psychometric properties of the RUQ. The aim of this study was to examine the psychometric properties of the Swedish version of the three subscales in RUQ using a Rasch measurement model. This study has a cross-sectional design using a sample of 163 staff (response rate 81%) working in one nursing home in Sweden. Data were collected using the Swedish version of RUQ in 2012. The three subscales Attitudes towards research, Availability of and support for research use and Use of research findings in clinical practice were investigated. Data were analysed using a Rasch measurement model. The results indicate presence of multidimensionality in all subscales. Moreover, internal scale validity and person response validity also provide some less satisfactory results, especially for the subscale Use of research findings. Overall, there seems to be a problem with the negatively worded statements. The findings suggest that clarification and refining of items, including additional psychometric evaluation of the RUQ, are needed before using the instrument in clinical practice and research studies among staff in nursing homes. © 2017 Nordic College of Caring Science.

  6. Model-based evaluation of the role of Anammox on nitric oxide and nitrous oxide productions in membrane aerated biofilm reactor

    DEFF Research Database (Denmark)

    Ni, Bing-Jie; Smets, Barth F.; Yuan, Zhiguo

    2013-01-01

    A multispecies one-dimensional biofilm model considering nitric oxide (NO) and nitrous oxide (N2O) productions for membrane aerated biofilm reactor (MABR) that remove nitrogen autotrophically through aerobic ammonia oxidation followed by Anammox is used to study the role of Anammox activity...... on the total nitrogen (TN) removal and the productions of NO and N2O. The model is applied to evaluate how periodic aeration as a control parameter reduces NO and N2O production but maintains high TN removal in MABR. The simulation results show over 3.5% of the removed TN could be attributed to NO and N2O...... production in MABR under the operational conditions optimal for TN removal (72%). An analysis of factors governing the Anammox activity in MABR shows that enhancing Anammox activity not only helps to achieve a high level of nitrogen removal but also reduces NO and N2O productions. Comparison of aeration...

  7. Validation of the Turkish Version of the Cognitive Test Anxiety Scale–Revised

    Directory of Open Access Journals (Sweden)

    Sati Bozkurt

    2017-01-01

    Full Text Available The current study explored the psychometric properties of the newly designed Turkish version of the Cognitive Test Anxiety Scale–Revised (CTAR. Results of an exploratory factor analysis revealed an unidimensional structure consistent with the conceptualized nature of cognitive test anxiety and previous examinations of the English version of the CTAR. Examination of the factor loadings revealed two items that were weakly related to the test anxiety construct and as such were prime candidates for removal. Confirmatory factor analyses were conducted to compare model fit for the 25- and 23-item version of the measure. Results indicated that the 23-item version of the measure provided a better fit to the data which support the removal of the problematic items in the Turkish version of the CTAR. Additional analyses demonstrated the internal consistency, test–retest reliability, concurrent validity, and gender equivalence for responses offered on the Turkish version of the measure. Results of the analysis revealed a 23-item Turkish version of the T-CTAR is a valid and reliable measure of cognitive test anxiety for use among Turkish students.

  8. Modeling and parametric simulations of solid oxide fuel cells with methane carbon dioxide reforming

    International Nuclear Information System (INIS)

    Ni, Meng

    2013-01-01

    Highlights: ► A 2D model is developed for solid oxide fuel cells (SOFCs). ► CH 4 reforming by CO 2 (MCDR) is included. ► SOFC with MCDR shows comparable performance with methane steam reforming SOFC. ► Increasing CO electrochemical oxidation greatly enhances the SOFC performance. ► Effects of potential and temperature on SOFC performance are also discussed. - Abstract: A two-dimensional model is developed to simulate the performance of solid oxide fuel cells (SOFCs) fed with CO 2 and CH 4 mixture. The electrochemical oxidations of both CO and H 2 are included. Important chemical reactions are considered in the model, including methane carbon dioxide reforming (MCDR), reversible water gas shift reaction (WGSR), and methane steam reforming (MSR). It’s found that at a CH 4 /CO 2 molar ratio of 50/50, MCDR and reversible WGSR significantly influence the cell performance while MSR is negligibly small. The performance of SOFC fed with CO 2 /CH 4 mixture is comparable to SOFC running on CH 4 /H 2 O mixtures. The electric output of SOFC can be enhanced by operating the cell at a low operating potential or at a high temperature. In addition, the development of anode catalyst with high activity towards CO electrochemical oxidation is important for SOFC performance enhancement. The model can serve as a useful tool for optimization of the SOFC system running on CH 4 /CO 2 mixtures

  9. AF-GEOSpace Version 2.0: Space Environment Software Products for 2002

    Science.gov (United States)

    Hilmer, R. V.; Ginet, G. P.; Hall, T.; Holeman, E.; Tautz, M.

    2002-05-01

    AF-GEOSpace Version 2.0 (release 2002 on WindowsNT/2000/XP) is a graphics-intensive software program developed by AFRL with space environment models and applications. It has grown steadily to become a development tool for automated space weather visualization products and helps with a variety of tasks: orbit specification for radiation hazard avoidance; satellite design assessment and post-event analysis; solar disturbance effects forecasting; frequency and antenna management for radar and HF communications; determination of link outage regions for active ionospheric conditions; and physics research and education. The object-oriented C++ code is divided into five module classes. Science Modules control science models to give output data on user-specified grids. Application Modules manipulate these data and provide orbit generation and magnetic field line tracing capabilities. Data Modules read and assist with the analysis of user-generated data sets. Graphics Modules enable the display of features such as plane slices, magnetic field lines, line plots, axes, the Earth, stars, and satellites. Worksheet Modules provide commonly requested coordinate transformations and calendar conversion tools. Common input data archive sets, application modules, and 1-, 2-, and 3-D visualization tools are provided to all models. The code documentation includes detailed examples with click-by-click instructions for investigating phenomena that have well known effects on communications and spacecraft systems. AF-GEOSpace Version 2.0 builds on the success of its predecessors. The first release (Version 1.21, 1996/IRIX on SGI) contained radiation belt particle flux and dose models derived from CRRES satellite data, an aurora model, an ionosphere model, and ionospheric HF ray tracing capabilities. Next (Version 1.4, 1999/IRIX on SGI) science modules were added related to cosmic rays and solar protons, low-Earth orbit radiation dosages, single event effects probability maps, ionospheric

  10. NCDC International Best Track Archive for Climate Stewardship (IBTrACS) Project, Version 2 (Version Superseded)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Version 2 of the dataset has been superseded by a newer version. Users should not use version 2 except in rare cases (e.g., when reproducing previous studies that...

  11. NCDC International Best Track Archive for Climate Stewardship (IBTrACS) Project, Version 1 (Version Superseded)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Version 1 of the dataset has been superseded by a newer version. Users should not use version 1 except in rare cases (e.g., when reproducing previous studies that...

  12. Versioning Complex Data

    Energy Technology Data Exchange (ETDEWEB)

    Macduff, Matt C.; Lee, Benno; Beus, Sherman J.

    2014-06-29

    Using the history of ARM data files, we designed and demonstrated a data versioning paradigm that is feasible. Assigning versions to sets of files that are modified with some special assumptions and domain specific rules was effective in the case of ARM data, which has more than 5000 datastreams and 500TB of data.

  13. Fast reactors with axial arrangement of oxide and metal fuels in the core

    International Nuclear Information System (INIS)

    Troyanov, M.F.; Ilyunin, V.G.; Matveev, V.I.; Murogov, V.M.; Proshkin, A.A.; Rudneva, V.Ya.; Shmelev, A.N.

    1980-01-01

    Problems of using metal fuel in fast reactor (FR) core are discussed Results are given of the calculation of two-dimentional (R-Z) FR version having a composed core with the combined usage of oxide and metal fuels having parameters close to optimal from the point of view of fuel breeding rate, an oxide subzone having increased enrichment and a decreased proper conversion ratio. A reactor is considered where metallic fuel elements are placed from the side of ''cold'' coolant inlet (400-480 deg C), and oxide fuel elements - in the region where the coolant has a higher temperature (500-560 deg C). It is shown that the new fuel breeding rate in such a reactor can be increased by 20-30% as compared with an oxide fuel reactor. Growth of the total conversion ratio is mainly stipulated with the increase of the inner conversion ratio of the core (CRC) which is important not only from the point of view of nuclear fuel breeding rate but also the optimization of the mode of powerful fast reactor operation with provision for the change in reactivity in the process of its continuous operation. The fact, that the core version under investigation has a CRC value slightly exceeding unit, stipulates considerably less reactivity change as compared with the oxide version in the process of the reactor operation and permits at a constant reactor control system power to significantly increase the time between reloadings and, therefore, to increase the NPP load factor which is of great importance both from the point of view of economy and the improvement of operation conditions as well as of reactor operation reliability. It is concluded on the base of the analysis of the results obtained that FRs with the combined usage of oxide and metal fuels having an increased specific load and increased conversion ratio as compared with the oxide fuel FRs provide a higher rate of development of the whole nuclear power balanced with respect to the fuel [ru

  14. Modeling of simultaneous anaerobic methane and ammonium oxidation in a membrane biofilm reactor.

    Science.gov (United States)

    Chen, Xueming; Guo, Jianhua; Shi, Ying; Hu, Shihu; Yuan, Zhiguo; Ni, Bing-Jie

    2014-08-19

    Nitrogen removal by using the synergy of denitrifying anaerobic methane oxidation (DAMO) and anaerobic ammonium oxidation (Anammox) microorganisms in a membrane biofilm reactor (MBfR) has previously been demonstrated experimentally. In this work, a mathematical model is developed to describe the simultaneous anaerobic methane and ammonium oxidation by DAMO and Anammox microorganisms in an MBfR for the first time. In this model, DAMO archaea convert nitrate, both externally fed and/or produced by Anammox, to nitrite, with methane as the electron donor. Anammox and DAMO bacteria jointly remove the nitrite fed/produced, with ammonium and methane as the electron donor, respectively. The model is successfully calibrated and validated using the long-term (over 400 days) dynamic experimental data from the MBfR, as well as two independent batch tests at different operational stages of the MBfR. The model satisfactorily describes the methane oxidation and nitrogen conversion data from the system. Modeling results show the concentration gradients of methane and nitrogen would cause stratification of the biofilm, where Anammox bacteria mainly grow in the biofilm layer close to the bulk liquid and DAMO organisms attach close to the membrane surface. The low surface methane loadings result in a low fraction of DAMO microorganisms, but the high surface methane loadings would lead to overgrowth of DAMO bacteria, which would compete with Anammox for nitrite and decrease the fraction of Anammox bacteria. The results suggest an optimal methane supply under the given condition should be applied not only to benefit the nitrogen removal but also to avoid potential methane emissions.

  15. Code development and analysis program. RELAP4/MOD7 (Version 2): user's manual

    International Nuclear Information System (INIS)

    1978-08-01

    This manual describes RELAP4/MOD7 (Version 2), which is the latest version of the RELAP4 LPWR blowdown code. Version 2 is a precursor to the final version of RELAP4/MOD7, which will address LPWR LOCA analysis in integral fashion (i.e., blowdown, refill, and reflood in continuous fashion). This manual describes the new code models and provides application information required to utilize the code. It must be used in conjunction with the RELAP4/MOD5 User's Manual (ANCR-NUREG-1335, dated September 1976), and the RELAP4/MOD6 User's Manual

  16. UQTk version 2.0 user manual

    Energy Technology Data Exchange (ETDEWEB)

    Debusschere, Bert J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sargsyan, Khachik [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Safta, Cosmin [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2013-10-01

    The UQ Toolkit (UQTk) is a collection of libraries and tools for the quantification of uncertainty in numerical model predictions. Version 2.0 ffers intrusive and non-intrusive methods for propagating input uncertainties through computational models, tools for sensitivity analysis, methods for sparse surrogate construction, and Bayesian inference tools for inferring parameters from experimental data. This manual discusses the download and installation process for UQTk, provides pointers to the UQ methods used in the toolkit, and describes some of the examples provided with the toolkit.

  17. Psychometric properties of the Russian version of the utrecht Work engagement scale (UWES-9

    Directory of Open Access Journals (Sweden)

    Lovakov Andrey V.

    2017-03-01

    Full Text Available This article aims to analyze the psychometric properties of the Russian version of the Utrecht Work Engagement Scale (UWES-9 by using a sample of 1783 employees of a large Russian organization. We conducted a series of Confirmatory Factor Analysis (CFA tests of the factorial structure and the configural, metric, scalar, factor variance, factor covariance, and factor means invariances of the model across gender and age groups. The validity of the Russian version of the UWES-9 was investigated by study- ing its relationship with burnout, job satisfaction, life satisfaction, and turnover inten- tion. The CFA showed that both the 1-factor and the 3-factor models of the UWES-9 fit well with the data, but the 3-factor model demonstrates a significantly better fit. however, the differences are minor; therefore, in practical terms, the models are iden- tical. Thus the Russian version of the UWES-9 can be used both as a three-scale mea- surement and as a single scale of work engagement. Results from the multi-group CFA provided evidence of factorial invariance of the 3-factor model across gender and age groups. Internal consistencies of the vigor, dedication, and absorption subscales are acceptable. The results also suggested the convergent, discriminant, and incremental validity of the UWES-9, as shown by its relationship with burnout, job satisfaction, life satisfaction, and turnover intention. The article also discusses the differences in levels of work engagement within different gender and age groups. Overall, the results show that the Russian version of the UWES-9 demonstrates acceptable psychometric properties comparable with the original version and those in other languages. The Russian version of the UWES-9 can therefore be recommended for use in research and practice.

  18. Chemometrics models for assessment of oxidative stress risk in chrome-electroplating workers.

    Science.gov (United States)

    Zendehdel, Rezvan; Shetab-Boushehri, Seyed Vahid; Azari, Mansoor R; Hosseini, Vajihe; Mohammadi, Hamidreza

    2015-04-01

    Oxidative stress is the main cause of hexavalant chromium-induced damage in chrome electroplating workers. The main goal of this study is toxicity analysis and the possibility of toxicity risk categorizing in the chrome electroplating workers based on oxidative stress parameters as prognostic variables. We assessed blood chromium levels and biomarkers of oxidative stress such as lipid peroxidation, thiol (SH) groups and antioxidant capacity of plasma. Data were subjected to principle component analysis (PCA) and artificial neuronal network (ANN) to obtain oxidative stress pattern for chrome electroplating workers. Blood chromium levels increased from 4.42 ppb to 10.6 ppb. Induction of oxidative stress was observed by increased in lipid peroxidation (22.38 ± 10.47 μM versus 14.74 ± 4.82 μM, p chrome electroplaters. The result showed multivariate modeling can be interpreted as the induced biochemical toxicity in the workers exposed to hexavalent chromium. Different occupation groups were assessed on the basis of risk level of oxidative stress which could further justify proceeding engineering control measures.

  19. Three job stress models/concepts and oxidative DNA damage in a sample of workers in Japan.

    Science.gov (United States)

    Inoue, Akiomi; Kawakami, Norito; Ishizaki, Masao; Tabata, Masaji; Tsuchiya, Masao; Akiyama, Miki; Kitazume, Akiko; Kuroda, Mitsuyo; Shimazu, Akihito

    2009-04-01

    Three job stress models/concepts (the job demands-control [DC] model, the effort-reward imbalance [ERI] model, and organizational justice) have been linked to coronary heart disease (CHD) at work. In recent years, oxidative DNA damage has been identified as a new risk factor for CHD. However, evidence for the association between these job stressors and oxidative DNA damage is limited. The present cross-sectional study investigated the association between these job stress models/concepts and oxidative DNA damage as a possible mediator of the adverse health effects of job stress. A total of 166 male and 51 female workers of a manufacturing factory in Japan were surveyed using a mailed questionnaire regarding job stressors and demographic, occupational, and lifestyle variables. Urinary concentrations of 8-hydroxy-2'-deoxyguanosine (8-OHdG), a biomarker of oxidative DNA damage, were also measured. In male subjects, the urinary concentrations of 8-OHdG were significantly higher among the group with lower interactional justice, one of the two components of organizational justice; however, no association was observed with the DC model or the ERI model. In female subjects, high job demands/control ratio was significantly and positively associated with the urinary concentrations of 8-OHdG. Interactional justice among male workers and the DC model-based strain among female workers may be associated with increased urinary concentrations of 8-OHdG which possibly reflects oxidative DNA damage.

  20. An experimental and modeling study of diethyl carbonate oxidation

    KAUST Repository

    Nakamura, Hisashi; Curran, Henry J.; Polo-Có rdoba, Á ngel David; Pitz, William J.; Dagaut, P.; Togbé , Casimir; Sarathy, Mani; Mehl, Marco; Agudelo, John Ramiro; Bustamante, Felipe

    2015-01-01

    Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO2 and particulate emissions from diesel engines. A better understanding of DEC combustion characteristics is needed to facilitate its use in internal combustion engines. Toward this goal, ignition delay times for DEC were measured at conditions relevant to internal combustion engines using a rapid compression machine (RCM) and a shock tube. The experimental conditions investigated covered a wide range of temperatures (660-1300K), a pressure of 30bar, and equivalence ratios of 0.5, 1.0 and 2.0 in air. To provide further understanding of the intermediates formed in DEC oxidation, species concentrations were measured in a jet-stirred reactor at 10atm over a temperature range of 500-1200K and at equivalence ratios of 0.5, 1.0 and 2.0. These experimental measurements were used to aid the development and validation of a chemical kinetic model for DEC.The experimental results for ignition in the RCM showed near negative temperature coefficient (NTC) behavior. Six-membered alkylperoxy radical (RO˙2) isomerizations are conventionally thought to initiate low-temperature branching reactions responsible for NTC behavior, but DEC has no such possible 6- and 7-membered ring isomerizations. However, its molecular structure allows for 5-, 8- and 9-membered ring RO˙2 isomerizations. To provide accurate rate constants for these ring structures, ab initio computations for RO˙2⇌Q˙OOH isomerization reactions were performed. These new RO˙2 isomerization rate constants have been implemented in a chemical kinetic model for DEC oxidation. The model simulations have been compared with ignition delay times measured in the RCM near the NTC region. Results of the simulation were also compared with experimental results for ignition in the high-temperature region and for species concentrations in the jet-stirred reactor. Chemical kinetic insights into the

  1. An experimental and modeling study of diethyl carbonate oxidation

    KAUST Repository

    Nakamura, Hisashi

    2015-04-01

    Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO2 and particulate emissions from diesel engines. A better understanding of DEC combustion characteristics is needed to facilitate its use in internal combustion engines. Toward this goal, ignition delay times for DEC were measured at conditions relevant to internal combustion engines using a rapid compression machine (RCM) and a shock tube. The experimental conditions investigated covered a wide range of temperatures (660-1300K), a pressure of 30bar, and equivalence ratios of 0.5, 1.0 and 2.0 in air. To provide further understanding of the intermediates formed in DEC oxidation, species concentrations were measured in a jet-stirred reactor at 10atm over a temperature range of 500-1200K and at equivalence ratios of 0.5, 1.0 and 2.0. These experimental measurements were used to aid the development and validation of a chemical kinetic model for DEC.The experimental results for ignition in the RCM showed near negative temperature coefficient (NTC) behavior. Six-membered alkylperoxy radical (RO˙2) isomerizations are conventionally thought to initiate low-temperature branching reactions responsible for NTC behavior, but DEC has no such possible 6- and 7-membered ring isomerizations. However, its molecular structure allows for 5-, 8- and 9-membered ring RO˙2 isomerizations. To provide accurate rate constants for these ring structures, ab initio computations for RO˙2⇌Q˙OOH isomerization reactions were performed. These new RO˙2 isomerization rate constants have been implemented in a chemical kinetic model for DEC oxidation. The model simulations have been compared with ignition delay times measured in the RCM near the NTC region. Results of the simulation were also compared with experimental results for ignition in the high-temperature region and for species concentrations in the jet-stirred reactor. Chemical kinetic insights into the

  2. Electroactive mesoporous yttria stabilized zirconia containing platinum or nickel oxide nanoclusters: a new class of solid oxide fuel cell electrode materials

    Energy Technology Data Exchange (ETDEWEB)

    Mamak, M.; Coombs, N.; Ozin, G.A. [Toronto Univ., ON (Canada). Dept. of Chemistry

    2001-02-01

    The electroactivity of surfactant-templated mesoporous yttria stabilized zirconia, containing nanoclusters of platinum or nickel oxide, is explored by alternating current (AC) complex impedance spectroscopy. The observed oxygen ion and mixed oxygen ion-electron charge-transport behavior for these materials, compared to the sintered-densified non-porous crystalline versions, is ascribed to the unique integration of mesoporosity and nanocrystallinity within the binary and ternary solid solution microstructure. These attributes inspire interest in this new class of materials as candidates for the development of improved performance solid oxide fuel cell electrodes. (orig.)

  3. Modeling of Oxidized PTH (oxPTH) and Non-oxidized PTH (n-oxPTH) Receptor Binding and Relationship of Oxidized to Non-Oxidized PTH in Children with Chronic Renal Failure, Adult Patients on Hemodialysis and Kidney Transplant Recipients

    DEFF Research Database (Denmark)

    Hocher, Berthold; Oberthür, Dominik; Slowinski, Torsten

    2013-01-01

    Background: The biological properties of oxidized and non-oxidized PTH are substantially different. Oxidized PTH (oxPTH) loses its PTH receptor-stimulating properties, whereas non-oxidized PTH (n-oxPTH) is a full agonist of the receptor. This was described in more than 20 well published studies i......PTH measures describes most likely oxidative stress in patients with renal failure rather than the PTH hormone status. This, however, needs to be demonstrated in further clinical studies. © 2013 S. Karger AG, Basel......., we performed modeling of the interaction of either oxPTH or n-oxPTH with the PTH receptor using biophysical structure approaches. Results: The children had the highest mean as well as maximum n-oxPTH concentrations as compared to adult patients (both patients on dialysis as well as kidney transplant......-oxPTH. This indicated that PTH oxidation may induce refolding of PTH and hence alters PTH-PTH receptor interaction via oxidation induced three-dimensional structure alteration of PTH. Conclusion: A huge proportion of circulating PTH measured by current state-of-the-art assay systems is oxidized and thus...

  4. Oxidative desulfurization of dibenzothiophene from model oil using ionic liquids as extracting agent

    Science.gov (United States)

    Taha, Mohd F.; Atikah, N.; Chong, F. K.; Shaharun, Maizatul S.

    2012-09-01

    The oxidative desulfurization of dibenzothiophene (DBT) from model oil (in n-dodecane) was carried out using ionic liquid as the extractant and catalyst, and hydrogen peroxide (H2O2) in combination with acetic acid (CH3COOH) and sulphuric acid (H2SO4) as the oxidant. The ionic liquids used were 1-butyl-3-methylimidazolium octyl sulphate ([Bmim][OcSO4]) and 1-butyl-3-methylimidazolium acetate ([Bmim][Ac]). The effect of the amounts of H2O2 on oxidative desulphurization of model oil was first investigated without the usage of ionic liquids at room temperature. The results indicate that greater amount of H2O2 give higher desulfurization and the maximum desulfurization in this study, i.e. 34 %, was occurred when the molar ratio of H2O2 to sulfur was 5:1. With the usage of ionic liquid and the molar ratio of 5:1 (H2O2:sulfur), the efficiency of DBT removal from model oil was increased significantly in terms of percent removal and removal time. Ionic liquid of [Bmim][OcSO4] performed better than [Bmim][Ac] with 72 % DBT removal. When molar ratio of H2O2 to sulphur was 5:1, volume ratio of ionic liquid to model oil was 1:1 and mixing time was 60 min at room temperature. The results indicate the potential of ionic liquids as the extractant and catalyst for oxidative desulfurization of hydrocarbon fuels.

  5. Model simulating oxidation of Zircalot-4 at 400 (C in water vapor. Influence of thermal cycling and structure

    International Nuclear Information System (INIS)

    Garcia, Eduardo A.; Beranguer, G.

    1998-01-01

    This work gives a model simulating the oxidation of Zircaloy-4 in water vapor at 400 (C with different precipitates and granular sizes. The model combines diffusion with inter linked porosity, defining also an interface in the oxide separating phases of inter linked porosity from non inter linked porosity in the (PI/PnL) oxide, which spreads in a discrete way in time and is capable of reproducing kinetics of experimental oxidation

  6. Rhesus monkey lens as an in vitro model for studying oxidative stress

    International Nuclear Information System (INIS)

    Zigler, J.S. Jr.; Lucas, V.A.; Du, X.Y.

    1989-01-01

    Lenses from young rhesus monkeys were incubated in the presence of H 2 O 2 or oxygen radical generating systems to determine their suitability as a model for investigating lenticular oxidative stress. Additionally, direct comparisons were made between the effects found with the monkey lenses and those observed with cultured rat lenses exposed to the same oxidizing systems. As in earlier studies with rat lenses the monkey lenses exhibited impaired ability to actively accumulate from the medium radioactively labelled rubidium and choline following exposure to oxidative stress. Based on the effects of various scavengers of oxygen radicals it appeared that the mechanisms responsible for lens damage were the same for both rat and monkey lenses. However, rat lenses were damaged by lower concentrations of oxidants than were monkey lenses. It was concluded that oxidative stress affects both rat and monkey lenses by similar mechanisms but that lenses from monkeys, and probably other primates, are more resistant to these effects because they have better endogenous antioxidant defenses

  7. Experimental and Kinetic Modeling Study of Methanol Ignition and Oxidation at High Pressure

    DEFF Research Database (Denmark)

    Aranda, V.; Christensen, J. M.; Alzueta, Maria

    2013-01-01

    A detailed chemical kinetic model for oxidation of CH3OH at high pressure and intermediate temperatures has been developed and validated experimentally. Ab initio calculations and Rice–Ramsperger–Kassel–Marcus/transition state theory (RRKM/TST) analysis were used to obtain rate coefficients for CH...... the conditions studied, the onset temperature for methanol oxidation was not dependent on the stoichiometry, whereas increasing pressure shifted the ignition temperature toward lower values. Model predictions of the present experimental results, as well as rapid compression machine data from the literature, were...

  8. Mechanistic modelling of a cathode-supported solid oxide fuel cell. Paper no. IGEC-1-103

    International Nuclear Information System (INIS)

    Suwanwarangkul, R.; Croiset, E.; Pritzker, M.D.; Fowler, M.W.; Douglas, P.L.; Entchev, E.

    2005-01-01

    A model for a cathode-supported tubular solid oxide fuel cell operating with humidified H 2 has been developed. Momentum-, mass-, energy- and charge-transport equations coupled with electrochemical reactions (H 2 oxidation and O 2 reduction) are considered in the model. The model also takes into account the radiative heat transfer between the cell and air-preheating tube. The model is validated against published experimental data ands shows a good agreement. The distributions of temperature, current density, reversible cell voltage, overpotential and species mole fractions within the cell are discussed in detail. (author)

  9. Endothelin receptor antagonist attenuates oxidative stress in a neonatal sepsis piglet model.

    Science.gov (United States)

    Goto, Tatenobu; Hussein, Mohamed Hamed; Kato, Shin; Daoud, Ghada Abdel-Hamid; Kato, Takenori; Sugiura, Takahiro; Kakita, Hiroki; Nobata, Masanori; Kamei, Michi; Mizuno, Haruo; Imai, Masaki; Ito, Tetsuya; Kato, Ineko; Suzuki, Satoshi; Okada, Noriko; Togari, Hajime; Okada, Hidechika

    2012-12-01

    Oxidative stress (oxidant-antioxidant imbalance) plays an important role in the pathophysiology of neonatal sepsis. This study evaluated whether an antisense peptide endothelin receptor antagonist, ETR-P1/fl, could attenuate oxidative stress in a neonatal sepsis model. A total of 18 3-d-old piglets were anesthetized and mechanically ventilated. Six piglets received cecal ligation and perforation (CLP group) for induction of sepsis. Six piglets also received continuous infusion (0.05 mg/kg/h) of ETR-P1/fl 30 min after CLP (ETR-P1/fl group). Six piglets received a sham operation. Serum total hydroperoxide (TH), biological antioxidant potentials (BAPs), oxidative stress index (OSI, calculated as TH/BAP), interleukin (IL)-6, serum glutamic oxaloacetic transaminase (GOT), and creatinine were measured before CLP and at 1, 3, and 6 h after CLP. CLP evoked a state of shock resulting in elevated TH, OSI, and IL-6 levels. ETR-P1/fl administration after CLP resulted in lower serum TH at 1 and 3 h after CLP, OSI at 1 and 3 h after CLP, IL-6 at 1 and 3 h after CLP, and GOT at 3 and 6 h after CLP as compared with the CLP group. ETR-P1/fl treatment significantly attenuated the elevation of serum oxidative stress markers (TH and OSI), IL-6, and GOT in a progressive neonatal sepsis CLP model.

  10. The SGHWR version of the Monte Carlo code W-MONTE. Part 1. The theoretical model

    International Nuclear Information System (INIS)

    Allen, F.R.

    1976-03-01

    W-MONTE provides a multi-group model of neutron transport in the exact geometry of a reactor lattice using Monte Carlo methods. It is currently restricted to uniform axial properties. Material data is normally obtained from a preliminary WIMS lattice calculation in the transport group structure. The SGHWR version has been required for analysis of zero energy experiments and special aspects of power reactor lattices, such as the unmoderated lattice region above the moderator when drained to dump height. Neutron transport is modelled for a uniform infinite lattice, simultaneously treating the cases of no leakage, radial leakage or axial leakage only, and the combined effects of radial and axial leakage. Multigroup neutron balance edits are incorporated for the separate effects of radial and axial leakage to facilitate the analysis of leakage and to provide effective diffusion theory parameters for core representation in reactor cores. (author)

  11. ARROW (Version 2) Commercial Software Validation and Configuration Control

    Energy Technology Data Exchange (ETDEWEB)

    HEARD, F.J.

    2000-02-10

    ARROW (Version 2), a compressible flow piping network modeling and analysis computer program from Applied Flow Technology, was installed for use at the U.S. Department of Energy Hanford Site near Richland, Washington.

  12. ARROW (Version 2) Commercial Software Validation and Configuration Control

    International Nuclear Information System (INIS)

    HEARD, F.J.

    2000-01-01

    ARROW (Version 2), a compressible flow piping network modeling and analysis computer program from Applied Flow Technology, was installed for use at the U.S. Department of Energy Hanford Site near Richland, Washington

  13. Impact of numerical choices on water conservation in the E3SM Atmosphere Model version 1 (EAMv1

    Directory of Open Access Journals (Sweden)

    K. Zhang

    2018-06-01

    Full Text Available The conservation of total water is an important numerical feature for global Earth system models. Even small conservation problems in the water budget can lead to systematic errors in century-long simulations. This study quantifies and reduces various sources of water conservation error in the atmosphere component of the Energy Exascale Earth System Model. Several sources of water conservation error have been identified during the development of the version 1 (V1 model. The largest errors result from the numerical coupling between the resolved dynamics and the parameterized sub-grid physics. A hybrid coupling using different methods for fluid dynamics and tracer transport provides a reduction of water conservation error by a factor of 50 at 1° horizontal resolution as well as consistent improvements at other resolutions. The second largest error source is the use of an overly simplified relationship between the surface moisture flux and latent heat flux at the interface between the host model and the turbulence parameterization. This error can be prevented by applying the same (correct relationship throughout the entire model. Two additional types of conservation error that result from correcting the surface moisture flux and clipping negative water concentrations can be avoided by using mass-conserving fixers. With all four error sources addressed, the water conservation error in the V1 model becomes negligible and insensitive to the horizontal resolution. The associated changes in the long-term statistics of the main atmospheric features are small. A sensitivity analysis is carried out to show that the magnitudes of the conservation errors in early V1 versions decrease strongly with temporal resolution but increase with horizontal resolution. The increased vertical resolution in V1 results in a very thin model layer at the Earth's surface, which amplifies the conservation error associated with the surface moisture flux correction. We note

  14. SPH based modelling of oxide and oxide film formation in gravity die castings

    International Nuclear Information System (INIS)

    Ellingsen, K; M'Hamdi, M; Coudert, T

    2015-01-01

    Gravity die casting is an important casting process which has the capability of making complicated, high-integrity components for e.g. the automotive industry. Oxides and oxide films formed during filling affect the cast product quality. The Smoothed particle hydrodynamics (SPH) method is particularly suited to follow complex flows. The SPH method has been used to study filling of a gravity die including the formation and transport of oxides and oxide films for two different filling velocities. A low inlet velocity leads to a higher amount of oxides and oxide films in the casting. The study demonstrates the usefulness of the SPH method for an increased understanding of the effect of different filling procedures on the cast quality. (paper)

  15. Magnetism-tuning strategies for graphene oxide based on magnetic oligoacene oxide patches model.

    Science.gov (United States)

    Wen, Yanjie; Yen, Chia-Liang; Yan, Linyin; Kono, Hirohiko; Lin, Sheng-Hsien; Ling, Yong-Chien

    2018-01-31

    Graphene oxide (GO) has wide application potential owing to its 2D structure and diverse modification sites for various targeted uses. The introduction of magnetism into GO structures has further advanced the controllability of the application of GO materials. Herein, the concept of modular design and modeling was applied to tune the magnetism of GO. To obtain desirable magnetic properties, diradical-structured GO patches were formed by the introduction of two functional groups to break the Kekule structure of the benzene ring. In these diradical GO patches, the energy of the triplet state was lower than those of the open-shell broken-symmetry singlet state and closed-shell singlet state. To create such multi-radical patches, a practical approach is to determine a substantial spatial separation of the α and β spin densities in the molecule. Thus, systematic design strategies and tests were evaluated. The first strategy was extending the distance between the distribution center of the α and β spin densities; the second was controlling the delocalization directions of the α and β electrons; the third was controlling the delocalization extension of the α and β electrons by oxidative modification, and finally introducing multi-radical structures into the molecular system and controlling the position of each radical. Herein, successful molecular models with a large magnetic coupling constant (∼3600 cm -1 ) were obtained. This study paves the way to explore ferromagnetic MGO guided by theoretical study, which may become reality soon.

  16. Effects of Photobiomodulation Therapy on Oxidative Stress in Muscle Injury Animal Models: A Systematic Review

    Directory of Open Access Journals (Sweden)

    Solange Almeida dos Santos

    2017-01-01

    Full Text Available This systematic review was performed to identify the role of photobiomodulation therapy on experimental muscle injury models linked to induce oxidative stress. EMBASE, PubMed, and CINAHL were searched for studies published from January 2006 to January 2016 in the areas of laser and oxidative stress. Any animal model using photobiomodulation therapy to modulate oxidative stress was included in analysis. Eight studies were selected from 68 original articles targeted on laser irradiation and oxidative stress. Articles were critically assessed by two independent raters with a structured tool for rating the research quality. Although the small number of studies limits conclusions, the current literature indicates that photobiomodulation therapy can be an effective short-term approach to reduce oxidative stress markers (e.g., thiobarbituric acid-reactive and to increase antioxidant substances (e.g., catalase, glutathione peroxidase, and superoxide dismutase. However, there is a nonuniformity in the terminology used to describe the parameters and dose for low-level laser treatment.

  17. RALOC Mod 1/81: Program description of RALOC version by the structural heat model HECU

    International Nuclear Information System (INIS)

    Pham, V.T.

    1984-01-01

    In the version RALOC-Mod 1/81 an expanded heat transfer model and structure heat model is included. This feature allows for a realistic simulation of the thermodynamic and fluiddynamic characteristics of the containment atmosphere. Steel and concrete substructures with a plain or rotational symmetry can be represented. The treat transfer calculations for the structures are problem oriented, taking into account, the time- and space dependencies. The influence of the heat transfer on the gas transport (in particular convection) in the reactor vessel is demonstrated by the numerical calculations. In contrast to the calculations without a simulation of the heat storage effects of the container structures showing a widely homogenious hydrogen distribution, the results on the basis of the HECU-model give an inhomogenious distribution during the first 8 to 12 days. However these results are only examples for the application of the RALOC-Mod 1/81 -code, which have not been intended to contribute to the discussion of hydrogen distributions in a PWR-type reactor. (orig./GL) [de

  18. Labour Outcomes After Successful External Cephalic Version Compared With Spontaneous Cephalic Version.

    Science.gov (United States)

    Krueger, Samantha; Simioni, Julia; Griffith, Lauren E; Hutton, Eileen K

    2018-01-01

    This study sought to compare obstetrical outcomes for women with a cephalic presentation at birth resulting from successful external cephalic version (ECV) compared to those resulting from spontaneous cephalic version (SCV). Secondary analysis was performed on Early External Cephalic Version Trial data. A total of 931 study participants had breech presentations between 34 and 36 weeks' gestation and cephalic presentations at birth. The incidence of intrapartum interventions was compared between patients with successful ECV (557) and those with SCV (374). A generalized linear mixed model was used to determine ORs for our primary outcomes. Parity, maternal BMI, previous CS, and enrolment centre were controlled for in the analysis. No differences were found after ECV compared with SCV in the incidence of CS (96 of 557 and 76 of 374, respectively; adjusted OR [aOR] 0.89; 95% CI 0.63-1.26), instrumental birth (68 of 557 and 29 of 373, respectively; aOR 1.55; 95% CI 0.96-2.50), or normal vaginal birth (393 of 557 and 268 of 373, respectively; aOR 0.92; 95% CI 0.68-1.24). Multiparous women with successful ECV were half as likely to require a CS compared with those with SCV and no ECV (28 of 313 and 42 of 258, respectively; aOR 0.45; 95% CI 0.26-0.80). This is the first study to compare birth outcomes of breech pregnancies that convert to cephalic presentation by means of SCV with birth outcomes of breech pregnancies that have ECV. Women with a cephalic-presenting fetus at birth as a result of successful ECV are not at greater risk of obstetrical interventions at birth when compared with women with fetuses who spontaneously turn to a cephalic presentation in the third trimester. Copyright © 2018. Published by Elsevier Inc.

  19. Climate Forecast System Version 2 (CFSv2) Operational Forecasts

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Climate Forecast System Version 2 (CFSv2) produced by the NOAA National Centers for Environmental Prediction (NCEP) is a fully coupled model representing the...

  20. Climate Forecast System Version 2 (CFSv2) Operational Analysis

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Climate Forecast System Version 2 (CFSv2) produced by the NOAA National Centers for Environmental Prediction (NCEP) is a fully coupled model representing the...

  1. Energy Integration for 2050 - A Strategic Impact Model (2050 SIM), Version 1.0

    Energy Technology Data Exchange (ETDEWEB)

    2010-10-01

    The United States (U.S.) energy infrastructure is among the most reliable, accessible, and economic in the world. On the other hand, it is also excessively reliant on foreign energy sources, experiences high volatility in energy prices, does not always practice good stewardship of finite indigenous energy resources, and emits significant quantities of greenhouse gas. The U.S. Department of Energy is conducting research and development on advanced nuclear reactor concepts and technologies, including High Temperature Gas Reactor (HTGR) technologies, directed at helping the United States meet its current and future energy challenges. This report discusses the Draft Strategic Impact Model (SIM), an initial version of which was created during the later part of FY-2010. SIM was developed to analyze and depict the benefits of various energy sources in meeting the energy demand and to provide an overall system understanding of the tradeoffs between building and using HTGRs versus other existing technologies for providing energy (heat and electricity) to various energy-use sectors in the United States. This report also provides the assumptions used in the model, the rationale for the methodology, and the references for the source documentation and source data used in developing the SIM.

  2. Energy Integration for 2050 - A Strategic Impact Model (2050 SIM), Version 2.0

    Energy Technology Data Exchange (ETDEWEB)

    John Collins

    2011-09-01

    The United States (U.S.) energy infrastructure is among the most reliable, accessible, and economic in the world. On the other hand, it is also excessively reliant on foreign energy sources, experiences high volatility in energy prices, does not always practice good stewardship of finite indigenous energy resources, and emits significant quantities of greenhouse gas. The U.S. Department of Energy is conducting research and development on advanced nuclear reactor concepts and technologies, including High Temperature Gas Reactor (HTGR) technologies, directed at helping the United States meet its current and future energy challenges. This report discusses the Draft Strategic Impact Model (SIM), an initial version of which was created during the later part of FY-2010. SIM was developed to analyze and depict the benefits of various energy sources in meeting the energy demand and to provide an overall system understanding of the tradeoffs between building and using HTGRs versus other existing technologies for providing energy (heat and electricity) to various energy-use sectors in the United States. This report also provides the assumptions used in the model, the rationale for the methodology, and the references for the source documentation and source data used in developing the SIM.

  3. Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model – Part 1: Assessing the influence of constrained multi-generational ageing

    Directory of Open Access Journals (Sweden)

    S. H. Jathar

    2016-02-01

    Full Text Available Multi-generational oxidation of volatile organic compound (VOC oxidation products can significantly alter the mass, chemical composition and properties of secondary organic aerosol (SOA compared to calculations that consider only the first few generations of oxidation reactions. However, the most commonly used state-of-the-science schemes in 3-D regional or global models that account for multi-generational oxidation (1 consider only functionalization reactions but do not consider fragmentation reactions, (2 have not been constrained to experimental data and (3 are added on top of existing parameterizations. The incomplete description of multi-generational oxidation in these models has the potential to bias source apportionment and control calculations for SOA. In this work, we used the statistical oxidation model (SOM of Cappa and Wilson (2012, constrained by experimental laboratory chamber data, to evaluate the regional implications of multi-generational oxidation considering both functionalization and fragmentation reactions. SOM was implemented into the regional University of California at Davis / California Institute of Technology (UCD/CIT air quality model and applied to air quality episodes in California and the eastern USA. The mass, composition and properties of SOA predicted using SOM were compared to SOA predictions generated by a traditional two-product model to fully investigate the impact of explicit and self-consistent accounting of multi-generational oxidation.Results show that SOA mass concentrations predicted by the UCD/CIT-SOM model are very similar to those predicted by a two-product model when both models use parameters that are derived from the same chamber data. Since the two-product model does not explicitly resolve multi-generational oxidation reactions, this finding suggests that the chamber data used to parameterize the models captures the majority of the SOA mass formation from multi-generational oxidation under

  4. Deep electron traps in HfO_2-based metal-oxide-semiconductor capacitors

    International Nuclear Information System (INIS)

    Salomone, L. Sambuco; Lipovetzky, J.; Carbonetto, S.H.; García Inza, M.A.; Redin, E.G.; Campabadal, F.

    2016-01-01

    Hafnium oxide (HfO_2) is currently considered to be a good candidate to take part as a component in charge-trapping nonvolatile memories. In this work, the electric field and time dependences of the electron trapping/detrapping processes are studied through a constant capacitance voltage transient technique on metal-oxide-semiconductor capacitors with atomic layer deposited HfO_2 as insulating layer. A tunneling-based model is proposed to reproduce the experimental results, obtaining fair agreement between experiments and simulations. From the fitting procedure, a band of defects is identified, located in the first 1.7 nm from the Si/HfO_2 interface at an energy level E_t = 1.59 eV below the HfO_2 conduction band edge with density N_t = 1.36 × 10"1"9 cm"−"3. A simplified analytical version of the model is proposed in order to ease the fitting procedure for the low applied voltage case considered in this work. - Highlights: • We characterized deep electron trapping/detrapping in HfO_2 structures. • We modeled the experimental results through a tunneling-based model. • We obtained an electron trap energy level of 1.59 eV below conduction band edge. • We obtained a spatial trap distribution extending 1.7 nm within the insulator. • A simplified tunneling front model is able to reproduce the experimental results.

  5. Description of surface systems. Preliminary site description Simpevarp sub area - Version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Lindborg, Tobias [ed.

    2005-03-01

    Swedish Nuclear Fuel and Waste Management Co is currently conducting site characterisation in the Simpevarp area. The area is divided into two subareas, the Simpevarp and the Laxemar subarea. The two subareas are surrounded by a common regional model area, the Simpevarp area. This report describes both the regional area and the subareas. This report is an interim version (model version 1.2) of the description of the surface systems at the Simpevarp area, and should be seen as a background report to the site description of the Simpevarp area, version 1.2, SKB-R--05-08. The basis for this description is quality-assured field data available in the SKB SICADA and GIS databases, together with generic data from the literature. The Surface system, here defined as everything above the bedrock, comprises a number of separate disciplines (e.g. hydrology, geology, topography, oceanography and ecology). Each discipline has developed descriptions and models for a number of properties that together represent the site description. The current methodology for developing the surface system description and the integration to ecosystem models is documented in a methodology strategy report SKB-R--03-06. The procedures and guidelines given in that report were followed in this report. Compared with version 1.1 of the surface system description SKB-R--04-25, this report presents considerable additional features, especially in the ecosystem description (Chapter 4) and in the description of the surface hydrology (Section 3.4). A first attempt has also been made to connect the flow of matter (carbon) between the different ecosystems into an overall ecosystem model at a landscape level. A summarised version of this report is also presented in SKB-R--05-08 together with geological-, hydrogeological-, transport properties-, thermal properties-, rock mechanics- and hydrogeochemical descriptions.

  6. Description of surface systems. Preliminary site description Simpevarp sub area - Version 1.2

    International Nuclear Information System (INIS)

    Lindborg, Tobias

    2005-03-01

    Swedish Nuclear Fuel and Waste Management Co is currently conducting site characterisation in the Simpevarp area. The area is divided into two subareas, the Simpevarp and the Laxemar subarea. The two subareas are surrounded by a common regional model area, the Simpevarp area. This report describes both the regional area and the subareas. This report is an interim version (model version 1.2) of the description of the surface systems at the Simpevarp area, and should be seen as a background report to the site description of the Simpevarp area, version 1.2, SKB-R--05-08. The basis for this description is quality-assured field data available in the SKB SICADA and GIS databases, together with generic data from the literature. The Surface system, here defined as everything above the bedrock, comprises a number of separate disciplines (e.g. hydrology, geology, topography, oceanography and ecology). Each discipline has developed descriptions and models for a number of properties that together represent the site description. The current methodology for developing the surface system description and the integration to ecosystem models is documented in a methodology strategy report SKB-R--03-06. The procedures and guidelines given in that report were followed in this report. Compared with version 1.1 of the surface system description SKB-R--04-25, this report presents considerable additional features, especially in the ecosystem description (Chapter 4) and in the description of the surface hydrology (Section 3.4). A first attempt has also been made to connect the flow of matter (carbon) between the different ecosystems into an overall ecosystem model at a landscape level. A summarised version of this report is also presented in SKB-R--05-08 together with geological-, hydrogeological-, transport properties-, thermal properties-, rock mechanics- and hydrogeochemical descriptions

  7. Modelling of nitrogen oxides distribution in the hearth of gas-fired industrial furnace

    Science.gov (United States)

    Zhubrin, S.; Glazov, V.; Guzhov, S.

    2017-11-01

    A model is proposed for calculating the formation and transportation of nitrogen oxides in the combustion chamber of an industrial furnace heated by gaseous fuels burning. The calculations use a three-dimensional stationary description of turbulent flow and mixing of fuel and oxidizer flows in the presence of heat transfer, mass transfer, and momentum between them transfer. Simulation of the spatial pattern of nitrogen oxides formation in the working space of the furnace is performed in the programming and computing suite SCAN. It is shown that the temperature non-uniformity over the hearth surface is not too pronounced due to the organization of the inclined flow inlet in the direction of the hearth, which is a desirable feature of the furnace operation. The highest concentration of combustion products is observed in the zone of maximum temperatures. In addition, the existence of two zones of the highest generation of oxides has been determined. The first zone is located approximately in the center of the hearth, and the second is located on the far external surface of the furnace. The possibility of using the developed model in the SCAN complex for carrying out parametric studies and engineering calculations, as well as for modification in the direction of adjusting and adapting the model to the regime-constructive features of specific energy technological devices, is noted.

  8. Incorporating remote sensing-based ET estimates into the Community Land Model version 4.5

    Directory of Open Access Journals (Sweden)

    D. Wang

    2017-07-01

    Full Text Available Land surface models bear substantial biases in simulating surface water and energy budgets despite the continuous development and improvement of model parameterizations. To reduce model biases, Parr et al. (2015 proposed a method incorporating satellite-based evapotranspiration (ET products into land surface models. Here we apply this bias correction method to the Community Land Model version 4.5 (CLM4.5 and test its performance over the conterminous US (CONUS. We first calibrate a relationship between the observational ET from the Global Land Evaporation Amsterdam Model (GLEAM product and the model ET from CLM4.5, and assume that this relationship holds beyond the calibration period. During the validation or application period, a simulation using the default CLM4.5 (CLM is conducted first, and its output is combined with the calibrated observational-vs.-model ET relationship to derive a corrected ET; an experiment (CLMET is then conducted in which the model-generated ET is overwritten with the corrected ET. Using the observations of ET, runoff, and soil moisture content as benchmarks, we demonstrate that CLMET greatly improves the hydrological simulations over most of the CONUS, and the improvement is stronger in the eastern CONUS than the western CONUS and is strongest over the Southeast CONUS. For any specific region, the degree of the improvement depends on whether the relationship between observational and model ET remains time-invariant (a fundamental hypothesis of the Parr et al. (2015 method and whether water is the limiting factor in places where ET is underestimated. While the bias correction method improves hydrological estimates without improving the physical parameterization of land surface models, results from this study do provide guidance for physically based model development effort.

  9. Nitrous Oxide Production in a Granule-based Partial Nitritation Reactor: A Model-based Evaluation.

    Science.gov (United States)

    Peng, Lai; Sun, Jing; Liu, Yiwen; Dai, Xiaohu; Ni, Bing-Jie

    2017-04-03

    Sustainable wastewater treatment has been attracting increasing attentions over the past decades. However, the production of nitrous oxide (N 2 O), a potent GHG, from the energy-efficient granule-based autotrophic nitrogen removal is largely unknown. This study applied a previously established N 2 O model, which incorporated two N 2 O production pathways by ammonia-oxidizing bacteria (AOB) (AOB denitrification and the hydroxylamine (NH 2 OH) oxidation). The two-pathway model was used to describe N 2 O production from a granule-based partial nitritation (PN) reactor and provide insights into the N 2 O distribution inside granules. The model was evaluated by comparing simulation results with N 2 O monitoring profiles as well as isotopic measurement data from the PN reactor. The model demonstrated its good predictive ability against N 2 O dynamics and provided useful information about the shift of N 2 O production pathways inside granules for the first time. The simulation results indicated that the increase of oxygen concentration and granule size would significantly enhance N 2 O production. The results further revealed a linear relationship between N 2 O production and ammonia oxidation rate (AOR) (R 2  = 0.99) under the conditions of varying oxygen levels and granule diameters, suggesting that bulk oxygen and granule size may exert an indirect effect on N 2 O production by causing a change in AOR.

  10. Asymptotically exact solution of a local copper-oxide model

    International Nuclear Information System (INIS)

    Zhang Guangming; Yu Lu.

    1994-03-01

    We present an asymptotically exact solution of a local copper-oxide model abstracted from the multi-band models. The phase diagram is obtained through the renormalization-group analysis of the partition function. In the strong coupling regime, we find an exactly solved line, which crosses the quantum critical point of the mixed valence regime separating two different Fermi-liquid (FL) phases. At this critical point, a many-particle resonance is formed near the chemical potential, and a marginal-FL spectrum can be derived for the spin and charge susceptibilities. (author). 15 refs, 1 fig

  11. Ariadne version 4 - a program for simulation of QCD cascades implementing the colour dipole model

    International Nuclear Information System (INIS)

    Loennblad, L.

    1992-01-01

    The fourth version of the Ariadne program for generating QCD cascades in the colour dipole approximation is presented. The underlying physics issues are discussed and a manual for using the program is given together with a few sample programs. The major changes from previous versions are the introduction of photon radiation from quarks and inclusion of interfaces to the LEPTO and PYTHIA programs. (orig.)

  12. Psychometric Evaluation of the Chinese Version of the Patient Perceptions of Empowerment Scale (PPES)

    Science.gov (United States)

    Lin, Sieh-Hwa

    2014-01-01

    Objectives. To evaluate the psychometric properties of the Chinese version of the Patient Perceptions of Empowerment Scale (PPES) and to perform a cross-cultural validity assessment. Methods. In this cross-sectional survey, 554 inpatients in three general hospitals in northern Taiwan were recruited. Principal component analysis was used to examine the factor structure of the scale. Confirmatory factor analyses were conducted on the measurement model of the Chinese version of the PPES. Results. Confirmatory factor analyses supported the presence of a second-order four-factor model (information, decision, individual, and self-management) of the Chinese version of the PPES when used with a Taiwanese inpatient population. The results indicate that the 11-item, second-order, four-factor Chinese version of the PPES provided best goodness-of-fit for the data in this study. Conclusion. The 11-item four-factor Chinese version of the PPES is a self-completion scale. This study demonstrated that the Chinese version of the PPES is a reliable and valid self-report instrument for the assessment of patient perceptions of empowerment in clinical practice. Further adaptation and evaluation of the scale will hopefully stimulate further studies on PPES in the fields of psychometrics in Taiwan. PMID:24971354

  13. Psychometric Evaluation of the Chinese Version of the Patient Perceptions of Empowerment Scale (PPES

    Directory of Open Access Journals (Sweden)

    Mei-Yu Yeh

    2014-01-01

    Full Text Available Objectives. To evaluate the psychometric properties of the Chinese version of the Patient Perceptions of Empowerment Scale (PPES and to perform a cross-cultural validity assessment. Methods. In this cross-sectional survey, 554 inpatients in three general hospitals in northern Taiwan were recruited. Principal component analysis was used to examine the factor structure of the scale. Confirmatory factor analyses were conducted on the measurement model of the Chinese version of the PPES. Results. Confirmatory factor analyses supported the presence of a second-order four-factor model (information, decision, individual, and self-management of the Chinese version of the PPES when used with a Taiwanese inpatient population. The results indicate that the 11-item, second-order, four-factor Chinese version of the PPES provided best goodness-of-fit for the data in this study. Conclusion. The 11-item four-factor Chinese version of the PPES is a self-completion scale. This study demonstrated that the Chinese version of the PPES is a reliable and valid self-report instrument for the assessment of patient perceptions of empowerment in clinical practice. Further adaptation and evaluation of the scale will hopefully stimulate further studies on PPES in the fields of psychometrics in Taiwan.

  14. UPC Language and Library Specifications, Version 1.3

    Energy Technology Data Exchange (ETDEWEB)

    UPC Consortium; Bonachea, Dan; Funck, Gary

    2013-11-16

    UPC is an explicitly parallel extension to the ISO C 99 Standard. UPC follows the partitioned global address space programming model. This document is the formal specification for the UPC language and library syntax and semantics, and supersedes prior specification version 1.2 (LBNL-59208).

  15. Pyrite oxidation in the presence of hematite and alumina: I. Batch leaching experiments and kinetic modeling calculations.

    Science.gov (United States)

    Tabelin, Carlito Baltazar; Veerawattananun, Suchol; Ito, Mayumi; Hiroyoshi, Naoki; Igarashi, Toshifumi

    2017-02-15

    Pyrite is one of the most common and geochemically important sulfide minerals in nature because of its role in the redox recycling of iron (Fe). It is also the primary cause of acid mine drainage (AMD) that is considered as a serious and widespread problem facing the mining and mineral processing industries. In the environment, pyrite oxidation occurs in the presence of ubiquitous metal oxides, but the roles that they play in this process remain largely unknown. This study evaluates the effects of hematite (α-Fe 2 O 3 ) and alumina (α-Al 2 O 3 ) on pyrite oxidation by batch-reactor type experiments, surface-sensitive characterization of the oxidation layer and thermodynamic/kinetic modeling calculations. In the presence of hematite, dissolved sulfur (S) concentration dramatically decreased independent of the pH, and the formation of intermediate sulfoxy anionic species on the surface of pyrite was retarded. These results indicate that hematite minimized the overall extent of pyrite oxidation, but the kinetic model could not explain how this suppression occurred. In contrast, pyrite oxidation was enhanced in the alumina suspension as suggested by the higher dissolved S concentration and stronger infrared (IR) absorption bands of surface-bound oxidation products. Based on the kinetic model, alumina enhanced the oxidative dissolution of pyrite because of its strong acid buffering capacity, which increased the suspension pH. The higher pH values increased the oxidation of Fe 2+ to Fe 3+ by dissolved O 2 (DO) that enhanced the overall oxidative dissolution kinetics of pyrite. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Vortex dynamics in nonrelativistic version of Abelian Higgs model: Effects of the medium on the vortex motion

    Directory of Open Access Journals (Sweden)

    Kozhevnikov Arkadii

    2016-01-01

    Full Text Available The closed vortex dynamics is considered in the nonrelativistic version of the Abelian Higgs Model. The effect of the exchange of excitations propagating in the medium on the vortex string motion is taken into account. The obtained are the effective action and the equation of motion both including the exchange of the propagating excitations between the distant segments of the vortex and the possibility of its interaction with the static fermion asymmetric background. They are applied to the derivation of the time dependence of the basic geometrical contour characteristics.

  17. CALIPSO lidar calibration at 532 nm: version 4 nighttime algorithm

    Science.gov (United States)

    Kar, Jayanta; Vaughan, Mark A.; Lee, Kam-Pui; Tackett, Jason L.; Avery, Melody A.; Garnier, Anne; Getzewich, Brian J.; Hunt, William H.; Josset, Damien; Liu, Zhaoyan; Lucker, Patricia L.; Magill, Brian; Omar, Ali H.; Pelon, Jacques; Rogers, Raymond R.; Toth, Travis D.; Trepte, Charles R.; Vernier, Jean-Paul; Winker, David M.; Young, Stuart A.

    2018-03-01

    Data products from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) on board Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) were recently updated following the implementation of new (version 4) calibration algorithms for all of the Level 1 attenuated backscatter measurements. In this work we present the motivation for and the implementation of the version 4 nighttime 532 nm parallel channel calibration. The nighttime 532 nm calibration is the most fundamental calibration of CALIOP data, since all of CALIOP's other radiometric calibration procedures - i.e., the 532 nm daytime calibration and the 1064 nm calibrations during both nighttime and daytime - depend either directly or indirectly on the 532 nm nighttime calibration. The accuracy of the 532 nm nighttime calibration has been significantly improved by raising the molecular normalization altitude from 30-34 km to the upper possible signal acquisition range of 36-39 km to substantially reduce stratospheric aerosol contamination. Due to the greatly reduced molecular number density and consequently reduced signal-to-noise ratio (SNR) at these higher altitudes, the signal is now averaged over a larger number of samples using data from multiple adjacent granules. Additionally, an enhanced strategy for filtering the radiation-induced noise from high-energy particles was adopted. Further, the meteorological model used in the earlier versions has been replaced by the improved Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2), model. An aerosol scattering ratio of 1.01 ± 0.01 is now explicitly used for the calibration altitude. These modifications lead to globally revised calibration coefficients which are, on average, 2-3 % lower than in previous data releases. Further, the new calibration procedure is shown to eliminate biases at high altitudes that were present in earlier versions and consequently leads to an improved representation of

  18. Thermodynamic and kinetic modelling of fuel oxidation behaviour in operating defective fuel

    International Nuclear Information System (INIS)

    Lewis, B.J.; Thompson, W.T.; Akbari, F.; Thompson, D.M.; Thurgood, C.; Higgs, J.

    2004-01-01

    A theoretical treatment has been developed to predict the fuel oxidation behaviour in operating defective nuclear fuel elements. The equilibrium stoichiometry deviation in the hyper-stoichiometric fuel has been derived from thermodynamic considerations using a self-consistent set of thermodynamic properties for the U-O system, which emphasizes replication of solubilities and three-phase invariant conditions displayed in the U-O binary phase diagram. The kinetics model accounts for multi-phase transport including interstitial oxygen diffusion in the solid and gas-phase transport of hydrogen and steam in the fuel cracks. The fuel oxidation model is further coupled to a heat conduction model to account for the feedback effect of a reduced thermal conductivity in the hyper-stoichiometric fuel. A numerical solution has been developed using a finite-element technique with the FEMLAB software package. The model has been compared to available data from several in-reactor X-2 loop experiments with defective fuel conducted at the Chalk River Laboratories. The model has also been benchmarked against an O/U profile measurement for a spent defective fuel element discharged from a commercial reactor

  19. Modelling the change in the oxidation coefficient during the aerobic ...

    African Journals Online (AJOL)

    In this work the aerobic degradation of phenol by acclimated activated sludge was studied. Results demonstrate that while the phenol removal rate by acclimated activated sludge follows the Monod model, the oxygen uptake rate obeys a Haldane-type equation. The phenol oxidation coefficient obtained at different intial ...

  20. FEAT - FAILURE ENVIRONMENT ANALYSIS TOOL (UNIX VERSION)

    Science.gov (United States)

    Pack, G.

    1994-01-01

    saved as a library file which represents a generic digraph structure for a class of components. The Generate Model feature can then use library files to generate digraphs for every component listed in the modeling tables, and these individual digraph files can be used in a variety of ways to speed generation of complete digraph models. FEAT contains a preprocessor which performs transitive closure on the digraph. This multi-step algorithm builds a series of phantom bridges, or gates, that allow accurate bi-directional processing of digraphs. This preprocessing can be time-consuming, but once preprocessing is complete, queries can be answered and displayed within seconds. A UNIX X-Windows port of version 3.5 of FEAT, XFEAT, is also available to speed the processing of digraph models created on the Macintosh. FEAT v3.6, which is only available for the Macintosh, has some report generation capabilities which are not available in XFEAT. For very large integrated systems, FEAT can be a real cost saver in terms of design evaluation, training, and knowledge capture. The capability of loading multiple digraphs and schematics into FEAT allows modelers to build smaller, more focused digraphs. Typically, each digraph file will represent only a portion of a larger failure scenario. FEAT will combine these files and digraphs from other modelers to form a continuous mathematical model of the system's failure logic. Since multiple digraphs can be cumbersome to use, FEAT ties propagation results to schematic drawings produced using MacDraw II (v1.1v2 or later) or MacDraw Pro. This makes it easier to identify single and double point failures that may have to cross several system boundaries and multiple engineering disciplines before creating a hazardous condition. FEAT v3.6 for the Macintosh is written in C-language using Macintosh Programmer's Workshop C v3.2. It requires at least a Mac II series computer running System 7 or System 6.0.8 and 32 Bit QuickDraw. It also requires a math

  1. Radiolytic modelling of spent fuel oxidative dissolution mechanism. Calibration against UO2 dynamic leaching experiments

    International Nuclear Information System (INIS)

    Merino, J.; Cera, E.; Bruno, J.; Quinones, J.; Casas, I.; Clarens, F.; Gimenez, J.; Pablo, J. de; Rovira, M.; Martinez-Esparza, A.

    2005-01-01

    Calibration and testing are inherent aspects of any modelling exercise and consequently they are key issues in developing a model for the oxidative dissolution of spent fuel. In the present work we present the outcome of the calibration process for the kinetic constants of a UO 2 oxidative dissolution mechanism developed for using in a radiolytic model. Experimental data obtained in dynamic leaching experiments of unirradiated UO 2 has been used for this purpose. The iterative calibration process has provided some insight into the detailed mechanism taking place in the alteration of UO 2 , particularly the role of · OH radicals and their interaction with the carbonate system. The results show that, although more simulations are needed for testing in different experimental systems, the calibrated oxidative dissolution mechanism could be included in radiolytic models to gain confidence in the prediction of the long-term alteration rate of the spent fuel under repository conditions

  2. Verification of RESRAD-RDD. (Version 2.01)

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Jing-Jy [Argonne National Lab. (ANL), Argonne, IL (United States); Flood, Paul E. [Argonne National Lab. (ANL), Argonne, IL (United States); LePoire, David [Argonne National Lab. (ANL), Argonne, IL (United States); Kamboj, Sunita [Argonne National Lab. (ANL), Argonne, IL (United States); Yu, Charley [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-09-01

    In this report, the results generated by RESRAD-RDD version 2.01 are compared with those produced by RESRAD-RDD version 1.7 for different scenarios with different sets of input parameters. RESRAD-RDD version 1.7 is spreadsheet-driven, performing calculations with Microsoft Excel spreadsheets. RESRAD-RDD version 2.01 revamped version 1.7 by using command-driven programs designed with Visual Basic.NET to direct calculations with data saved in Microsoft Access database, and re-facing the graphical user interface (GUI) to provide more flexibility and choices in guideline derivation. Because version 1.7 and version 2.01 perform the same calculations, the comparison of their results serves as verification of both versions. The verification covered calculation results for 11 radionuclides included in both versions: Am-241, Cf-252, Cm-244, Co-60, Cs-137, Ir-192, Po-210, Pu-238, Pu-239, Ra-226, and Sr-90. At first, all nuclidespecific data used in both versions were compared to ensure that they are identical. Then generic operational guidelines and measurement-based radiation doses or stay times associated with a specific operational guideline group were calculated with both versions using different sets of input parameters, and the results obtained with the same set of input parameters were compared. A total of 12 sets of input parameters were used for the verification, and the comparison was performed for each operational guideline group, from A to G, sequentially. The verification shows that RESRAD-RDD version 1.7 and RESRAD-RDD version 2.01 generate almost identical results; the slight differences could be attributed to differences in numerical precision with Microsoft Excel and Visual Basic.NET. RESRAD-RDD version 2.01 allows the selection of different units for use in reporting calculation results. The results of SI units were obtained and compared with the base results (in traditional units) used for comparison with version 1.7. The comparison shows that RESRAD

  3. HANFORD TANK WASTE OPERATIONS SIMULATOR VERSION DESCRIPTION DOCUMENT

    International Nuclear Information System (INIS)

    ALLEN, G.K.

    2003-01-01

    This document describes the software version controls established for the Hanford Tank Waste Operations Simulator (HTWOS). It defines: the methods employed to control the configuration of HTWOS; the version of each of the 26 separate modules for the version 1.0 of HTWOS; the numbering rules for incrementing the version number of each module; and a requirement to include module version numbers in each case results documentation. Version 1.0 of HTWOS is the first version under formal software version control. HTWOS contains separate revision numbers for each of its 26 modules. Individual module version numbers do not reflect the major release HTWOS configured version number

  4. Modeling of High Temperature Oxidation Behavior of FeCrAl Alloy by using Artificial Neural Network

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae Joon; Ryu, Ho Jin [KAIST, Daejeon (Korea, Republic of)

    2016-10-15

    Refractory alloys are candidate materials for replacing current zirconium-base cladding of light water reactors and they retain significant creep resistance and mechanical strength at high temperatures up to 1500 ℃ due to their high melting temperature. Thermal neutron cross sections of refractory metals are higher than that of zirconium, however the loss of neutron can be overcome by reducing cladding thickness which can be facilitated with enhanced mechanical properties. However, most refractory metals show the poor oxidation resistance at a high temperature. Oxidation behaviors of the various compositions of FeCrAl alloys in high temperature conditions were modeled by using Bayesian neural network. The automatic relevance determination (ARD) technique represented the influence of the composition of alloying elements on the oxidation resistance of FeCrAl alloys. This model can be utilized to understand the tendency of oxidation behavior along the composition of each element and prove the applicability of neural network modeling for the development of new cladding material of light water reactors.

  5. Mathematical modeling of solid oxide fuel cells

    Science.gov (United States)

    Lu, Cheng-Yi; Maloney, Thomas M.

    1988-01-01

    Development of predictive techniques, with regard to cell behavior, under various operating conditions is needed to improve cell performance, increase energy density, reduce manufacturing cost, and to broaden utilization of various fuels. Such technology would be especially beneficial for the solid oxide fuel cells (SOFC) at it early demonstration stage. The development of computer models to calculate the temperature, CD, reactant distributions in the tubular and monolithic SOFCs. Results indicate that problems of nonuniform heat generation and fuel gas depletion in the tubular cell module, and of size limitions in the monolithic (MOD 0) design may be encountered during FC operation.

  6. TOUGH2 User's Guide Version 2

    International Nuclear Information System (INIS)

    Pruess, K.; Oldenburg, C.M.; Moridis, G.J.

    1999-01-01

    TOUGH2 is a numerical simulator for nonisothermal flows of multicomponent, multiphase fluids in one, two, and three-dimensional porous and fractured media. The chief applications for which TOUGH2 is designed are in geothermal reservoir engineering, nuclear waste disposal, environmental assessment and remediation, and unsaturated and saturated zone hydrology. TOUGH2 was first released to the public in 1991; the 1991 code was updated in 1994 when a set of preconditioned conjugate gradient solvers was added to allow a more efficient solution of large problems. The current Version 2.0 features several new fluid property modules and offers enhanced process modeling capabilities, such as coupled reservoir-wellbore flow, precipitation and dissolution effects, and multiphase diffusion. Numerous improvements in previously released modules have been made and new user features have been added, such as enhanced linear equation solvers, and writing of graphics files. The T2VOC module for three-phase flows of water, air and a volatile organic chemical (VOC), and the T2DM module for hydrodynamic dispersion in 2-D flow systems have been integrated into the overall structure of the code and are included in the Version 2.0 package. Data inputs are upwardly compatible with the previous version. Coding changes were generally kept to a minimum, and were only made as needed to achieve the additional functionalities desired. TOUGH2 is written in standard FORTRAN77 and can be run on any platform, such as workstations, PCs, Macintosh, mainframe and supercomputers, for which appropriate FORTRAN compilers are available. This report is a self-contained guide to application of TOUGH2 to subsurface flow problems. It gives a technical description of the TOUGH2 code, including a discussion of the physical processes modeled, and the mathematical and numerical methods used. Illustrative sample problems are presented along with detailed instructions for preparing input data

  7. The new version of the Institute of Numerical Mathematics Sigma Ocean Model (INMSOM) for simulation of Global Ocean circulation and its variability

    Science.gov (United States)

    Gusev, Anatoly; Fomin, Vladimir; Diansky, Nikolay; Korshenko, Evgeniya

    2017-04-01

    In this paper, we present the improved version of the ocean general circulation sigma-model developed in the Institute of Numerical Mathematics of the Russian Academy of Sciences (INM RAS). The previous version referred to as INMOM (Institute of Numerical Mathematics Ocean Model) is used as the oceanic component of the IPCC climate system model INMCM (Institute of Numerical Mathematics Climate Model (Volodin et al 2010,2013). Besides, INMOM as the only sigma-model was used for simulations according to CORE-II scenario (Danabasoglu et al. 2014,2016; Downes et al. 2015; Farneti et al. 2015). In general, INMOM results are comparable to ones of other OGCMs and were used for investigation of climatic variations in the North Atlantic (Gusev and Diansky 2014). However, detailed analysis of some CORE-II INMOM results revealed some disadvantages of the INMOM leading to considerable errors in reproducing some ocean characteristics. So, the mass transport in the Antarctic Circumpolar Current (ACC) was overestimated. As well, there were noticeable errors in reproducing thermohaline structure of the ocean. After analysing the previous results, the new version of the OGCM was developed. It was decided to entitle is INMSOM (Institute of Numerical Mathematics Sigma Ocean Model). The new title allows one to distingwish the new model, first, from its older version, and second, from another z-model developed in the INM RAS and referred to as INMIO (Institute of Numerical Mathematics and Institute of Oceanology ocean model) (Ushakov et al. 2016). There were numerous modifications in the model, some of them are as follows. 1) Formulation of the ocean circulation problem in terms of full free surface with taking into account water amount variation. 2) Using tensor form of lateral viscosity operator invariant to rotation. 3) Using isopycnal diffusion including Gent-McWilliams mixing. 4) Using atmospheric forcing computation according to NCAR methodology (Large and Yeager 2009). 5

  8. Single-Column Modeling of Convection During the CINDY2011/DYNAMO Field Campaign With the CNRM Climate Model Version 6

    Science.gov (United States)

    Abdel-Lathif, Ahmat Younous; Roehrig, Romain; Beau, Isabelle; Douville, Hervé

    2018-03-01

    A single-column model (SCM) approach is used to assess the CNRM climate model (CNRM-CM) version 6 ability to represent the properties of the apparent heat source (Q1) and moisture sink (Q2) as observed during the 3 month CINDY2011/DYNAMO field campaign, over its Northern Sounding Array (NSA). The performance of the CNRM SCM is evaluated in a constrained configuration in which the latent and sensible heat surface fluxes are prescribed, as, when forced by observed sea surface temperature, the model is strongly limited by the underestimate of the surface fluxes, most probably related to the SCM forcing itself. The model exhibits a significant cold bias in the upper troposphere, near 200 hPa, and strong wet biases close to the surface and above 700 hPa. The analysis of the Q1 and Q2 profile distributions emphasizes the properties of the convective parameterization of the CNRM-CM physics. The distribution of the Q2 profile is particularly challenging. The model strongly underestimates the frequency of occurrence of the deep moistening profiles, which likely involve misrepresentation of the shallow and congestus convection. Finally, a statistical approach is used to objectively define atmospheric regimes and construct a typical convection life cycle. A composite analysis shows that the CNRM SCM captures the general transition from bottom-heavy to mid-heavy to top-heavy convective heating. Some model errors are shown to be related to the stratiform regimes. The moistening observed during the shallow and congestus convection regimes also requires further improvements of this CNRM-CM physics.

  9. First approach for thermodynamic modelling of the high temperature oxidation behaviour of ternary γ′-strengthened Co–Al–W superalloys

    International Nuclear Information System (INIS)

    Klein, L.; Zendegani, A.; Palumbo, M.; Fries, S.G.; Virtanen, S.

    2014-01-01

    Highlights: • Thermodynamic modelling of the oxidation behaviour of a novel Co-base superalloy. • Calculated oxide layer sequence is in good agreement with formed oxide scales. • Prediction of an optimised alloy composition with increased phase stability. • Prediction of the influence of oxygen partial pressure on Al 2 O 3 formation. - Abstract: In the present work, thermodynamic modelling of the high temperature oxidation behaviour of a γ′-strengthened Co-base superalloy is presented. The ternary Co–9Al–9W alloy (values in at%) was isothermally oxidised for 500 h at 800 and 900 °C in air. Results reveal that the calculated oxide layer sequence (Thermo-Calc, TCNI6) is in good agreement with the formed oxide scales on the alloy surface. Furthermore, prediction of the influence of oxygen partial pressure on Al 2 O 3 formation is presented. The modelling results indicate pathways for alloy development or possible pre-oxidation surface treatments for improved oxidation resistance of the material

  10. Comparison of two lung clearance models based on the dissolution rates of oxidized depleted uranium

    Energy Technology Data Exchange (ETDEWEB)

    Crist, K.C.

    1984-10-01

    An in-vitro dissolution study was conducted on two respirable oxidized depleted uranium samples. The dissolution rates generated from this study were then utilized in the International Commission on Radiological Protection Task Group lung clearance model and a lung clearance model proposed by Cuddihy. Predictions from both models based on the dissolution rates of the amount of oxidized depleted uranium that would be cleared to blood from the pulmonary region following an inhalation exposure were compared. It was found that the predictions made by both models differed considerably. The difference between the predictions was attributed to the differences in the way each model perceives the clearance from the pulmonary region. 33 references, 11 figures, 9 tables.

  11. Comparison of two lung clearance models based on the dissolution rates of oxidized depleted uranium

    International Nuclear Information System (INIS)

    Crist, K.C.

    1984-10-01

    An in-vitro dissolution study was conducted on two respirable oxidized depleted uranium samples. The dissolution rates generated from this study were then utilized in the International Commission on Radiological Protection Task Group lung clearance model and a lung clearance model proposed by Cuddihy. Predictions from both models based on the dissolution rates of the amount of oxidized depleted uranium that would be cleared to blood from the pulmonary region following an inhalation exposure were compared. It was found that the predictions made by both models differed considerably. The difference between the predictions was attributed to the differences in the way each model perceives the clearance from the pulmonary region. 33 references, 11 figures, 9 tables

  12. Validation of the Polish version of the Multidimensional Body-Self Relations Questionnaire among women.

    Science.gov (United States)

    Brytek-Matera, Anna; Rogoza, Radosław

    2015-03-01

    In Poland, appropriate means to assess body image are relatively limited. The aim of the study was to evaluate the psychometric properties of the Polish version of the Multidimensional Body-Self Relations Questionnaire (MBSRQ). To do so, a sample of 341 females ranging in age from 18 to 35 years (M = 23.09; SD = 3.14) participated in the present study. Owing to the fact that the confirmatory factor analysis of the original nine-factor model was not well fitted to the data (RMSEA = 0.06; CFI = 0.75) the exploratory approach was employed. Based on parallel analysis and minimum average partial an eight-factor structure of the Polish version of the MBSRQ was distinguished. Exploratory factor analysis revealed a factorial structure similar to the original version. The proposed model was tested using an exploratory structural equation modelling approach which resulted in good fit (RMSEA = 0.04; CFI = 0.91). In the present study, the internal reliability assessed by McDonald's ω coefficient amounts from 0.66 to 0.91. In conclusion, the Polish version of the MBSRQ is a useful measure for the attitudinal component of body image assessment.

  13. Comparison of different two-pathway models for describing the combined effect of DO and nitrite on the nitrous oxide production by ammonia-oxidizing bacteria.

    Science.gov (United States)

    Lang, Longqi; Pocquet, Mathieu; Ni, Bing-Jie; Yuan, Zhiguo; Spérandio, Mathieu

    2017-02-01

    The aim of this work is to compare the capability of two recently proposed two-pathway models for predicting nitrous oxide (N 2 O) production by ammonia-oxidizing bacteria (AOB) for varying ranges of dissolved oxygen (DO) and nitrite. The first model includes the electron carriers whereas the second model is based on direct coupling of electron donors and acceptors. Simulations are confronted to extensive sets of experiments (43 batches) from different studies with three different microbial systems. Despite their different mathematical structures, both models could well and similarly describe the combined effect of DO and nitrite on N 2 O production rate and emission factor. The model-predicted contributions for nitrifier denitrification pathway and hydroxylamine pathway also matched well with the available isotopic measurements. Based on sensitivity analysis, calibration procedures are described and discussed for facilitating the future use of those models.

  14. Vietnamese validation of the short version of Internet Addiction Test

    Directory of Open Access Journals (Sweden)

    Bach Xuan Tran

    2017-12-01

    Full Text Available Background and aims: The main goal of the present study was to examine the psychometric properties of a Vietnamese version of the short-version of Internet Addiction Test (s-IAT and to assess the relationship between s-IAT scores and demographics, health related qualify of life and perceived stress scores in young Vietnamese. Methods: The Vietnamese version of s-IAT was administered to a sample of 589 participants. Exploratory factor and reliability analyses were performed. Regression analysis was used to identify the associated factors. Results: The two-factor model of Vietnamese version of s-IAT demonstrated good psychometric properties. The internal consistency of Factor 1 (loss of control/time management was high (Cronbach's alpha=0.82 and Factor 2 (craving/social problems was satisfactory (Cronbach's alpha=0.75. Findings indicated that 20.9% youths were addicted to the Internet. Regression analysis revealed significant associations between Internet addiction and having problems in self-care, lower quality of life and high perceived stress scores. Discussion and conclusions: The Vietnamese version of s-IAT is a valid and reliable instrument to assess IA in Vietnamese population. Due to the high prevalence of IA among Vietnamese youths, IA should be paid attention in future intervention programs. s-IAT can be a useful screening tool for IA to promptly inform and treat the IA among Vietnamese youths. Keywords: Factor analysis, Short-version, Internet Addiction Test, Psychometric properties, Vietnamese

  15. Oxidative stress contributes to outcome severity in a Drosophila melanogaster model of classic galactosemia

    Directory of Open Access Journals (Sweden)

    Patricia P. Jumbo-Lucioni

    2013-01-01

    Classic galactosemia is a genetic disorder that results from profound loss of galactose-1P-uridylyltransferase (GALT. Affected infants experience a rapid escalation of potentially lethal acute symptoms following exposure to milk. Dietary restriction of galactose prevents or resolves the acute sequelae; however, many patients experience profound long-term complications. Despite decades of research, the mechanisms that underlie pathophysiology in classic galactosemia remain unclear. Recently, we developed a Drosophila melanogaster model of classic galactosemia and demonstrated that, like patients, GALT-null Drosophila succumb in development if exposed to galactose but live if maintained on a galactose-restricted diet. Prior models of experimental galactosemia have implicated a possible association between galactose exposure and oxidative stress. Here we describe application of our fly genetic model of galactosemia to the question of whether oxidative stress contributes to the acute galactose sensitivity of GALT-null animals. Our first approach tested the impact of pro- and antioxidant food supplements on the survival of GALT-null and control larvae. We observed a clear pattern: the oxidants paraquat and DMSO each had a negative impact on the survival of mutant but not control animals exposed to galactose, and the antioxidants vitamin C and α-mangostin each had the opposite effect. Biochemical markers also confirmed that galactose and paraquat synergistically increased oxidative stress on all cohorts tested but, interestingly, the mutant animals showed a decreased response relative to controls. Finally, we tested the expression levels of two transcripts responsive to oxidative stress, GSTD6 and GSTE7, in mutant and control larvae exposed to galactose and found that both genes were induced, one by more than 40-fold. Combined, these results implicate oxidative stress and response as contributing factors in the acute galactose sensitivity of GALT-null Drosophila and, by

  16. Finite element analysis of the Girkmann problem using the modern hp-version and the classical h-version

    KAUST Repository

    Niemi, Antti

    2011-06-03

    We perform finite element analysis of the so called Girkmann problem in structural mechanics. The problem involves an axially symmetric spherical shell stiffened with a foot ring and is approached (1) by using the axisymmetric formulation of linear elasticity theory and (2) by using a dimensionally reduced shell-ring model. In the first approach the problem is solved with a fully automatic hp-adaptive finite element solver whereas the classical h-version of the finite element method is used in the second approach. We study the convergence behaviour of the different numerical models and show that accurate stress resultants can be obtained with both models by using effective post-processing formulas. © Springer-Verlag London Limited 2011.

  17. A comparison of the Space Station version of ASTROMAG with two free-flyer versions

    International Nuclear Information System (INIS)

    Green, M.A.

    1992-06-01

    This Report compares the Space Station version of ASTROMAG with free-flyer versions of ASTROMAG which could fly on an Atlas lla rocket and a Delta rocket. Launch with either free-flyer imposes severe weight limits on the magnet and its cryogenic system. Both versions of ASTROMAG magnet which fly on free-flying satellites do not have to be charged more than once during the mission. This permits one to simplify the charging system and the cryogenic system. The helium ll pump loop which supplies helium to the gas cooled electrical leads can be eliminated in both of the free-flyer versions of the ASTROMAG magnet. This report describes the superconducting dipole moment correction coils which are necessary for the magnet to operate on a free-flying satellite

  18. UQTk Version 3.0.3 User Manual

    Energy Technology Data Exchange (ETDEWEB)

    Sargsyan, Khachik [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Safta, Cosmin [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Chowdhary, Kamaljit Singh [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Castorena, Sarah [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); De Bord, Sarah [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Debusschere, Bert [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-05-01

    The UQ Toolkit (UQTk) is a collection of libraries and tools for the quantification of uncertainty in numerical model predictions. Version 3.0.3 offers intrusive and non-intrusive methods for propagating input uncertainties through computational models, tools for sen- sitivity analysis, methods for sparse surrogate construction, and Bayesian inference tools for inferring parameters from experimental data. This manual discusses the download and installation process for UQTk, provides pointers to the UQ methods used in the toolkit, and describes some of the examples provided with the toolkit.

  19. Neonatal Maturation of Paracetamol (Acetaminophen) Glucuronidation, Sulfation, and Oxidation Based on a Parent-Metabolite Population Pharmacokinetic Model.

    Science.gov (United States)

    Cook, Sarah F; Stockmann, Chris; Samiee-Zafarghandy, Samira; King, Amber D; Deutsch, Nina; Williams, Elaine F; Wilkins, Diana G; Sherwin, Catherine M T; van den Anker, John N

    2016-11-01

    This study aimed to model the population pharmacokinetics of intravenous paracetamol and its major metabolites in neonates and to identify influential patient characteristics, especially those affecting the formation clearance (CL formation ) of oxidative pathway metabolites. Neonates with a clinical indication for intravenous analgesia received five 15-mg/kg doses of paracetamol at 12-h intervals (paracetamol, paracetamol-glucuronide, paracetamol-sulfate, and the combined oxidative pathway metabolites (paracetamol-cysteine and paracetamol-N-acetylcysteine) were simultaneously modeled in NONMEM 7.2. The model incorporated 259 plasma and 350 urine samples from 35 neonates with a mean gestational age of 33.6 weeks (standard deviation 6.6). CL formation for all metabolites increased with weight; CL formation for glucuronidation and oxidation also increased with postnatal age. At the mean weight (2.3 kg) and postnatal age (7.5 days), CL formation estimates (bootstrap 95% confidence interval; between-subject variability) were 0.049 L/h (0.038-0.062; 62 %) for glucuronidation, 0.21 L/h (0.17-0.24; 33 %) for sulfation, and 0.058 L/h (0.044-0.078; 72 %) for oxidation. Expression of individual oxidation CL formation as a fraction of total individual paracetamol clearance showed that, on average, fractional oxidation CL formation increased paracetamol and its metabolites in neonates. Maturational changes in the fraction of paracetamol undergoing oxidation were small relative to between-subject variability.

  20. Experimental Study and Mathematical Modeling of Self-Sustained Kinetic Oscillations in Catalytic Oxidation of Methane over Nickel.

    Science.gov (United States)

    Lashina, Elena A; Kaichev, Vasily V; Saraev, Andrey A; Vinokurov, Zakhar S; Chumakova, Nataliya A; Chumakov, Gennadii A; Bukhtiyarov, Valerii I

    2017-09-21

    The self-sustained kinetic oscillations in the oxidation of CH 4 over Ni foil have been studied at atmospheric pressure using an X-ray diffraction technique and mass spectrometry. It has been shown that the regular oscillations appear under oxygen-deficient conditions; CO, CO 2 , H 2 , and H 2 O are detected as the products. According to in situ X-ray diffraction measurements, nickel periodically oxidizes to NiO initiating the reaction-rate oscillations. To describe the oscillations, we have proposed a five-stage mechanism of the partial oxidation of methane over Ni and a corresponding three-variable kinetic model. The mechanism considers catalytic methane decomposition, dissociative adsorption of oxygen, transformation of chemisorbed oxygen to surface nickel oxide, and reaction of adsorbed carbon and oxygen species to form CO. Analysis of the kinetic model indicates that the competition of two processes, i.e., the oxidation and the carbonization of the catalyst surface, is the driving force of the self-sustained oscillations in the oxidation of methane. We have compared this mechanism with the detailed 18-stage mechanism described previously by Lashina et al. (Kinetics and Catalysis 2012, 53, 374-383). It has been shown that both kinetic mechanisms coupled with a continuous stirred-tank reactor model describe well the oscillatory behavior in the oxidation of methane under non-isothermal conditions.

  1. Modified Wagner model for the active-to-passive transition in the oxidation of Si3N4

    International Nuclear Information System (INIS)

    Wang Junjie; Zhang Litong; Zeng Qingfeng; Cheng Laifei; Xu Yongdong

    2008-01-01

    Si 3 N 4 is used as the coating material of space shuttle structures which receive very high thermal fluxes during the atmospheric re-entry phase. Two main regimes govern the oxidation of Si 3 N 4 : the passive oxidation, with the formation of a protective silica layer leading generally to a mass gain, and the active oxidation, with vaporization of SiO leading to a mass loss of the sample. To ensure that silicon nitride will efficiently protect a material in given oxidizing environments, its own oxidation behaviour must be previously known. Therefore, the active-to-passive transition of Si 3 N 4 oxidation is a problem of deep scientific importance and of wide technological relevance. In this paper, a modified Wager model for the active-to-passive transition in the oxidation of Si 3 N 4 is presented, which includes the non-equilibrium effects caused by the mass transfer. The present theoretical calculations satisfactorily explained the reported experimental and theoretical data. The influence of flow rate on the active-to-passive transition boundary has been explained using our model. The rate controlling mechanism of the oxidation at the active-to-passive transition point is proposed

  2. Development of the kinetic model of platinum catalyzed ammonia oxidation in a microreactor

    NARCIS (Netherlands)

    Rebrov, E.V.; Croon, de M.H.J.M.; Schouten, J.C.

    2002-01-01

    The ammonia oxidation reaction on supported polycrystalline platinum catalyst was investigated in an aluminum-based microreactor. An extensive set of reactions was included in the chemical reactor modeling to facilitate the construction of a kinetic model capable of satisfactory predictions for a

  3. A predictive model of iron oxide nanoparticles flocculation tuning Z-potential in aqueous environment for biological application

    Energy Technology Data Exchange (ETDEWEB)

    Baldassarre, Francesca, E-mail: francesca.baldassarre@unisalento.it [University of Salento, Department of Cultural Heritage (Italy); Cacciola, Matteo, E-mail: matteo.cacciola@unirc.it [University “Mediterranea” of Reggio Calabria, DICEAM (Italy); Ciccarella, Giuseppe, E-mail: giuseppe.ciccarella@unisalento.it [University of Salento, Department of Innovation Engineering (Italy)

    2015-09-15

    Iron oxide nanoparticles are the most used magnetic nanoparticles in biomedical and biotechnological field because of their nontoxicity respect to the other metals. The investigation of iron oxide nanoparticles behaviour in aqueous environment is important for the biological applications in terms of polydispersity, mobility, cellular uptake and response to the external magnetic field. Iron oxide nanoparticles tend to agglomerate in aqueous solutions; thus, the stabilisation and aggregation could be modified tuning the colloids physical proprieties. Surfactants or polymers are often used to avoid agglomeration and increase nanoparticles stability. We have modelled and synthesised iron oxide nanoparticles through a co-precipitation method, in order to study the influence of surfactants and coatings on the aggregation state. Thus, we compared experimental results to simulation model data. The change of Z-potential and the clusters size were determined by Dynamic Light Scattering. We developed a suitable numerical model to predict the flocculation. The effects of Volume Mean Diameter and fractal dimension were explored in the model. We obtained the trend of these parameters tuning the Z-potential. These curves matched with the experimental results and confirmed the goodness of the model. Subsequently, we exploited the model to study the influence of nanoparticles aggregation and stability by Z-potential and external magnetic field. The highest Z-potential is reached up with a small external magnetic influence, a small aggregation and then a high suspension stability. Thus, we obtained a predictive model of Iron oxide nanoparticles flocculation that will be exploited for the nanoparticles engineering and experimental setup of bioassays.

  4. A predictive model of iron oxide nanoparticles flocculation tuning Z-potential in aqueous environment for biological application

    International Nuclear Information System (INIS)

    Baldassarre, Francesca; Cacciola, Matteo; Ciccarella, Giuseppe

    2015-01-01

    Iron oxide nanoparticles are the most used magnetic nanoparticles in biomedical and biotechnological field because of their nontoxicity respect to the other metals. The investigation of iron oxide nanoparticles behaviour in aqueous environment is important for the biological applications in terms of polydispersity, mobility, cellular uptake and response to the external magnetic field. Iron oxide nanoparticles tend to agglomerate in aqueous solutions; thus, the stabilisation and aggregation could be modified tuning the colloids physical proprieties. Surfactants or polymers are often used to avoid agglomeration and increase nanoparticles stability. We have modelled and synthesised iron oxide nanoparticles through a co-precipitation method, in order to study the influence of surfactants and coatings on the aggregation state. Thus, we compared experimental results to simulation model data. The change of Z-potential and the clusters size were determined by Dynamic Light Scattering. We developed a suitable numerical model to predict the flocculation. The effects of Volume Mean Diameter and fractal dimension were explored in the model. We obtained the trend of these parameters tuning the Z-potential. These curves matched with the experimental results and confirmed the goodness of the model. Subsequently, we exploited the model to study the influence of nanoparticles aggregation and stability by Z-potential and external magnetic field. The highest Z-potential is reached up with a small external magnetic influence, a small aggregation and then a high suspension stability. Thus, we obtained a predictive model of Iron oxide nanoparticles flocculation that will be exploited for the nanoparticles engineering and experimental setup of bioassays

  5. Multi-objective genetic algorithm for solving N-version program design problem

    Energy Technology Data Exchange (ETDEWEB)

    Yamachi, Hidemi [Department of Computer and Information Engineering, Nippon Institute of Technology, Miyashiro, Saitama 345-8501 (Japan) and Department of Production and Information Systems Engineering, Tokyo Metropolitan Institute of Technology, Hino, Tokyo 191-0065 (Japan)]. E-mail: yamachi@nit.ac.jp; Tsujimura, Yasuhiro [Department of Computer and Information Engineering, Nippon Institute of Technology, Miyashiro, Saitama 345-8501 (Japan)]. E-mail: tujimr@nit.ac.jp; Kambayashi, Yasushi [Department of Computer and Information Engineering, Nippon Institute of Technology, Miyashiro, Saitama 345-8501 (Japan)]. E-mail: yasushi@nit.ac.jp; Yamamoto, Hisashi [Department of Production and Information Systems Engineering, Tokyo Metropolitan Institute of Technology, Hino, Tokyo 191-0065 (Japan)]. E-mail: yamamoto@cc.tmit.ac.jp

    2006-09-15

    N-version programming (NVP) is a programming approach for constructing fault tolerant software systems. Generally, an optimization model utilized in NVP selects the optimal set of versions for each module to maximize the system reliability and to constrain the total cost to remain within a given budget. In such a model, while the number of versions included in the obtained solution is generally reduced, the budget restriction may be so rigid that it may fail to find the optimal solution. In order to ameliorate this problem, this paper proposes a novel bi-objective optimization model that maximizes the system reliability and minimizes the system total cost for designing N-version software systems. When solving multi-objective optimization problem, it is crucial to find Pareto solutions. It is, however, not easy to obtain them. In this paper, we propose a novel bi-objective optimization model that obtains many Pareto solutions efficiently. We formulate the optimal design problem of NVP as a bi-objective 0-1 nonlinear integer programming problem. In order to overcome this problem, we propose a Multi-objective genetic algorithm (MOGA), which is a powerful, though time-consuming, method to solve multi-objective optimization problems. When implementing genetic algorithm (GA), the use of an appropriate genetic representation scheme is one of the most important issues to obtain good performance. We employ random-key representation in our MOGA to find many Pareto solutions spaced as evenly as possible along the Pareto frontier. To pursue improve further performance, we introduce elitism, the Pareto-insertion and the Pareto-deletion operations based on distance between Pareto solutions in the selection process. The proposed MOGA obtains many Pareto solutions along the Pareto frontier evenly. The user of the MOGA can select the best compromise solution among the candidates by controlling the balance between the system reliability and the total cost.

  6. Multi-objective genetic algorithm for solving N-version program design problem

    International Nuclear Information System (INIS)

    Yamachi, Hidemi; Tsujimura, Yasuhiro; Kambayashi, Yasushi; Yamamoto, Hisashi

    2006-01-01

    N-version programming (NVP) is a programming approach for constructing fault tolerant software systems. Generally, an optimization model utilized in NVP selects the optimal set of versions for each module to maximize the system reliability and to constrain the total cost to remain within a given budget. In such a model, while the number of versions included in the obtained solution is generally reduced, the budget restriction may be so rigid that it may fail to find the optimal solution. In order to ameliorate this problem, this paper proposes a novel bi-objective optimization model that maximizes the system reliability and minimizes the system total cost for designing N-version software systems. When solving multi-objective optimization problem, it is crucial to find Pareto solutions. It is, however, not easy to obtain them. In this paper, we propose a novel bi-objective optimization model that obtains many Pareto solutions efficiently. We formulate the optimal design problem of NVP as a bi-objective 0-1 nonlinear integer programming problem. In order to overcome this problem, we propose a Multi-objective genetic algorithm (MOGA), which is a powerful, though time-consuming, method to solve multi-objective optimization problems. When implementing genetic algorithm (GA), the use of an appropriate genetic representation scheme is one of the most important issues to obtain good performance. We employ random-key representation in our MOGA to find many Pareto solutions spaced as evenly as possible along the Pareto frontier. To pursue improve further performance, we introduce elitism, the Pareto-insertion and the Pareto-deletion operations based on distance between Pareto solutions in the selection process. The proposed MOGA obtains many Pareto solutions along the Pareto frontier evenly. The user of the MOGA can select the best compromise solution among the candidates by controlling the balance between the system reliability and the total cost

  7. Thermal oxidation of silicon with two oxidizing species

    International Nuclear Information System (INIS)

    Vild-Maior, A.A.; Filimon, S.

    1979-01-01

    A theoretical model for the thermal oxidation of silicon in wet oxygen is presented. It is shown that the presence of oxygen in the oxidation furnace has an important effect when the water temperature is not too high (less than about 65 deg C). The model is in good agreement with the experimental data. (author)

  8. NOAA Climate Data Record (CDR) of Ocean Heat Fluxes, Version 1.0 (Version Superseded)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Please note, this dataset has been superseded by a newer version (see below). Users should not use this version except in rare cases (e.g., when reproducing previous...

  9. Description of surface systems. Preliminary site description. Forsmark area Version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Lindborg, Tobias [ed.

    2005-06-01

    Swedish Nuclear Fuel and Waste Management Co (SKB) started site investigations for a deep repository for spent nuclear fuel in 2002 at two different sites in Sweden, Forsmark and Oskarshamn. The investigations should provide necessary information for a license application aimed at starting underground exploration. For this reason, ecosystem data need to be interpreted and assessed into site descriptive models, which in turn are used for safety assessment studies and for environmental impact assessment. Descriptions of the surface system are also needed for further planning of the site investigations. This report describes the surface ecosystems of the Forsmark site (e.g. hydrology, Quaternary deposits, chemistry, vegetation, animals and the human land use). The ecosystem description is an integration of the site and its regional setting, covering the current state of the biosphere as well as the ongoing natural processes affecting the longterm development. Improving the descriptions is important during both the initial and the complete site investigation phase. Before starting of the initial phase in Forsmark, version 0 of the site descriptive model was developed. The results of the initial site investigation phase is compiled into a preliminary site description of Forsmark (version 1.2) in June 2005. This report provides the major input and background to the biosphere description, in the 1.2 version of the Forsmark site description. The basis for this interim version is quality-assured field data from the Forsmark sub area and regional area, available in the SKB SICADA, and GIS data bases as of July 31th 2004 as well as version 1.1 of the Site Descriptive Model. To achieve an ecosystem site description there is a need to develop discipline-specific models by interpreting and analysing primary data. The different discipline-specific models are then integrated into a system describing interactions and flows and stocks of matter between and within functional units in

  10. Description of surface systems. Preliminary site description. Forsmark area Version 1.2

    International Nuclear Information System (INIS)

    Lindborg, Tobias

    2005-06-01

    Swedish Nuclear Fuel and Waste Management Co (SKB) started site investigations for a deep repository for spent nuclear fuel in 2002 at two different sites in Sweden, Forsmark and Oskarshamn. The investigations should provide necessary information for a license application aimed at starting underground exploration. For this reason, ecosystem data need to be interpreted and assessed into site descriptive models, which in turn are used for safety assessment studies and for environmental impact assessment. Descriptions of the surface system are also needed for further planning of the site investigations. This report describes the surface ecosystems of the Forsmark site (e.g. hydrology, Quaternary deposits, chemistry, vegetation, animals and the human land use). The ecosystem description is an integration of the site and its regional setting, covering the current state of the biosphere as well as the ongoing natural processes affecting the longterm development. Improving the descriptions is important during both the initial and the complete site investigation phase. Before starting of the initial phase in Forsmark, version 0 of the site descriptive model was developed. The results of the initial site investigation phase is compiled into a preliminary site description of Forsmark (version 1.2) in June 2005. This report provides the major input and background to the biosphere description, in the 1.2 version of the Forsmark site description. The basis for this interim version is quality-assured field data from the Forsmark sub area and regional area, available in the SKB SICADA, and GIS data bases as of July 31th 2004 as well as version 1.1 of the Site Descriptive Model. To achieve an ecosystem site description there is a need to develop discipline-specific models by interpreting and analysing primary data. The different discipline-specific models are then integrated into a system describing interactions and flows and stocks of matter between and within functional units in

  11. Mathematical model of the oxidation of ferrous iron by a biofilm of Thiobacillus ferrooxidans.

    Science.gov (United States)

    Mesa, M M; Macías, M; Cantero, D

    2002-01-01

    Microbial oxidation of ferrous iron may be a viable alternative method of producing ferric sulfate, which is a reagent used for removal of H(2)S from biogas. The paper introduces a kinetic study of the biological oxidation of ferrous iron by Thiobacillus ferrooxidans immobilized on biomass support particles (BSP) composed of polyurethane foam. On the basis of the data obtained, a mathematical model for the bioreactor was subsequently developed. In the model described here, the microorganisms adhere by reversible physical adsorption to the ferric precipitates that are formed on the BSP. The model can also be considered as an expression for the erosion of microorganisms immobilized due to the agitation of the medium by aeration.

  12. Mathematical modeling of the radiation-chemical oxidation of U(IV) in HClO4

    International Nuclear Information System (INIS)

    Vladimirova, M.V.

    1995-01-01

    Mathematical modeling of U(IV) oxidation in 0.5-12 M HClO 4 upon α, γ-radiolysis, based on the proposed scheme of radiation-chemical reactions, has been performed. The rate constants of the U(VI) + HO 2 , U(IV) + HO 2 , U(IV) + ClO 2 , and U(IV) + ClO 2 - reactions have been determined by the comparison of the calculated and experimental kinetic and dose curves and radiation-chemical yields of U(IV) oxidation or U(VI) formation. General equations for uranium (IV) oxidation constants at various HClO 4 concentrations, based on the analysis of the rates of particular radiation-chemical reactions composing oxidation process, have been obtained

  13. SERA: Simulation Environment for Radiotherapy Applications - Users Manual Version 1CO

    International Nuclear Information System (INIS)

    Venhuizen, James Robert; Wessol, Daniel Edward; Wemple, Charles Alan; Wheeler, Floyd J; Harkin, G. J.; Frandsen, M. W.; Albright, C. L.; Cohen, M.T.; Rossmeier, M.; Cogliati, J.J.

    2002-01-01

    This document is the user manual for the Simulation Environment for Radiotherapy Applications (SERA) software program developed for boron-neutron capture therapy (BNCT) patient treatment planning by researchers at the Idaho National Engineering and Environmental Laboratory (INEEL) and students and faculty at Montana State University (MSU) Computer Science Department. This manual corresponds to the final release of the program, Version 1C0, developed to run under the RedHat Linux Operating System (version 7.2 or newer) or the Solaris Operating System (version 2.6 or newer). SERA is a suite of command line or interactively launched software modules, including graphical, geometric reconstruction, and execution interface modules for developing BNCT treatment plans. The program allows the user to develop geometric models of the patient as derived from Computed Tomography (CT) and Magnetic Resonance Imaging (MRI) images, perform dose computation for these geometric models, and display the computed doses on overlays of the original images as three dimensional representations. This manual provides a guide to the practical use of SERA, but is not an exhaustive treatment of each feature of the code

  14. SERA: Simulation Environment for Radiotherapy Applications - Users Manual Version 1CO

    Energy Technology Data Exchange (ETDEWEB)

    Venhuizen, James Robert; Wessol, Daniel Edward; Wemple, Charles Alan; Wheeler, Floyd J; Harkin, G. J.; Frandsen, M. W.; Albright, C. L.; Cohen, M.T.; Rossmeier, M.; Cogliati, J.J.

    2002-06-01

    This document is the user manual for the Simulation Environment for Radiotherapy Applications (SERA) software program developed for boron-neutron capture therapy (BNCT) patient treatment planning by researchers at the Idaho National Engineering and Environmental Laboratory (INEEL) and students and faculty at Montana State University (MSU) Computer Science Department. This manual corresponds to the final release of the program, Version 1C0, developed to run under the RedHat Linux Operating System (version 7.2 or newer) or the Solaris™ Operating System (version 2.6 or newer). SERA is a suite of command line or interactively launched software modules, including graphical, geometric reconstruction, and execution interface modules for developing BNCT treatment plans. The program allows the user to develop geometric models of the patient as derived from Computed Tomography (CT) and Magnetic Resonance Imaging (MRI) images, perform dose computation for these geometric models, and display the computed doses on overlays of the original images as three dimensional representations. This manual provides a guide to the practical use of SERA, but is not an exhaustive treatment of each feature of the code.

  15. A constructive version of AIP revisited

    NARCIS (Netherlands)

    Barros, A.; Hou, T.

    2008-01-01

    In this paper, we review a constructive version of the Approximation Induction Principle. This version states that bisimilarity of regular processes can be decided by observing only a part of their behaviour. We use this constructive version to formulate a complete inference system for the Algebra

  16. Accelerated Leach Testing of GLASS: ALTGLASS Version 3.0

    Energy Technology Data Exchange (ETDEWEB)

    Trivelpiece, Cory L. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Jantzen, Carol M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Crawford, Charles L. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-12-31

    The Accelerated Leach Testing of GLASS (ALTGLASS) database is a collection of data from short- and long-term product consistency tests (PCT, ASTM C1285 A and B) on high level waste (HLW) as well as low activity waste (LAW) glasses. The database provides both U.S. and international researchers with an archive of experimental data for the purpose of studying, modeling, or validating existing models of nuclear waste glass corrosion. The ALTGLASS database is maintained and updated by researchers at the Savannah River National Laboratory (SRNL). This newest version, ALTGLASS Version 3.0, has been updated with an additional 503 rows of data representing PCT results from corrosion experiments conducted in the United States by the Savannah River National Laboratory, Pacific Northwest National Laboratory, Argonne National Laboratory, and the Vitreous State Laboratory (SRNL, PNNL, ANL, VSL, respectively) as well as the National Nuclear Laboratory (NNL) in the United Kingdom.

  17. Accelerated Leach Testing of GLASS: ALTGLASS Version 3.0

    International Nuclear Information System (INIS)

    Trivelpiece, Cory L.; Jantzen, Carol M.; Crawford, Charles L.

    2016-01-01

    The Accelerated Leach Testing of GLASS (ALTGLASS) database is a collection of data from short- and long-term product consistency tests (PCT, ASTM C1285 A and B) on high level waste (HLW) as well as low activity waste (LAW) glasses. The database provides both U.S. and international researchers with an archive of experimental data for the purpose of studying, modeling, or validating existing models of nuclear waste glass corrosion. The ALTGLASS database is maintained and updated by researchers at the Savannah River National Laboratory (SRNL). This newest version, ALTGLASS Version 3.0, has been updated with an additional 503 rows of data representing PCT results from corrosion experiments conducted in the United States by the Savannah River National Laboratory, Pacific Northwest National Laboratory, Argonne National Laboratory, and the Vitreous State Laboratory (SRNL, PNNL, ANL, VSL, respectively) as well as the National Nuclear Laboratory (NNL) in the United Kingdom.

  18. Determining Optimal Decision Version

    Directory of Open Access Journals (Sweden)

    Olga Ioana Amariei

    2014-06-01

    Full Text Available In this paper we start from the calculation of the product cost, applying the method of calculating the cost of hour- machine (THM, on each of the three cutting machines, namely: the cutting machine with plasma, the combined cutting machine (plasma and water jet and the cutting machine with a water jet. Following the calculation of cost and taking into account the precision of manufacturing of each machine, as well as the quality of the processed surface, the optimal decisional version needs to be determined regarding the product manufacturing. To determine the optimal decisional version, we resort firstly to calculating the optimal version on each criterion, and then overall using multiattribute decision methods.

  19. SHADOW3: a new version of the synchrotron X-ray optics modelling package

    International Nuclear Information System (INIS)

    Sanchez del Rio, Manuel; Canestrari, Niccolo; Jiang, Fan; Cerrina, Franco

    2011-01-01

    SHADOW3, a new version of the X-ray tracing code SHADOW, is introduced. A new version of the popular X-ray tracing code SHADOW is presented. An important step has been made in restructuring the code following new computer engineering standards, ending with a modular Fortran 2003 structure and an application programming interface (API). The new code has been designed to be compatible with the original file-oriented SHADOW philosophy, but simplifying the compilation, installation and use. In addition, users can now become programmers using the newly designed SHADOW3 API for creating scripts, macros and programs; being able to deal with optical system optimization, image simulation, and also low transmission calculations requiring a large number of rays (>10 6 ). Plans for future development and questions on how to accomplish them are also discussed

  20. Version 4. 00 of the MINTEQ geochemical code

    Energy Technology Data Exchange (ETDEWEB)

    Eary, L.E.; Jenne, E.A.

    1992-09-01

    The MINTEQ code is a thermodynamic model that can be used to calculate solution equilibria for geochemical applications. Included in the MINTEQ code are formulations for ionic speciation, ion exchange, adsorption, solubility, redox, gas-phase equilibria, and the dissolution of finite amounts of specified solids. Since the initial development of the MINTEQ geochemical code, a number of undocumented versions of the source code and data files have come into use at the Pacific Northwest Laboratory (PNL). This report documents these changes, describes source code modifications made for the Aquifer Thermal Energy Storage (ATES) program, and provides comprehensive listings of the data files. A version number of 4.00 has been assigned to the MINTEQ source code and the individual data files described in this report.

  1. Version 4.00 of the MINTEQ geochemical code

    Energy Technology Data Exchange (ETDEWEB)

    Eary, L.E.; Jenne, E.A.

    1992-09-01

    The MINTEQ code is a thermodynamic model that can be used to calculate solution equilibria for geochemical applications. Included in the MINTEQ code are formulations for ionic speciation, ion exchange, adsorption, solubility, redox, gas-phase equilibria, and the dissolution of finite amounts of specified solids. Since the initial development of the MINTEQ geochemical code, a number of undocumented versions of the source code and data files have come into use at the Pacific Northwest Laboratory (PNL). This report documents these changes, describes source code modifications made for the Aquifer Thermal Energy Storage (ATES) program, and provides comprehensive listings of the data files. A version number of 4.00 has been assigned to the MINTEQ source code and the individual data files described in this report.

  2. Analysis of oxidation of self-baking electrodes (Soederberg electrodes) by means of three-dimensional model

    Science.gov (United States)

    Pashnin, S. V.

    2017-10-01

    The paper presents the methodology and results of the development of the temperature dependence of the oxidation speed of the self-baking electrode (Soederberg Electrodes) in the ore-thermal furnaces. For the study of oxidation, the working ends of the self-baking electrodes, which were taken out from the ore-thermal furnaces after their scabbings, were used. The temperature of the electrode surface by its height was calculated with the help of the mathematical model of heat work of self-baking electrode. The comparison of electrode surface temperatures with the speed of oxidation of the electrode allowed one to obtain the temperature dependency of the oxidation of the lateral electrode surface. Comparison of the experimental data, obtained in the laboratory by various authors, showed their qualitative coincidence with results of calculations of the oxidation rate presented in this article. With the help of the mathematical model of temperatures fields of electrode, the calculations of the sizes of the cracks, appearing after burnout ribs, were performed. Calculations showed that the sizes of the cracks after the ribs burnout, calculated by means of the obtained temperature dependence, coincide with the experimental data with sufficient accuracy.

  3. Irradiation behavior of uranium oxide - Aluminum dispersion fuel

    International Nuclear Information System (INIS)

    Hofman, Gerard L.; Rest, Jeffrey; Snelgrove, James L.

    1996-01-01

    An oxide version of the DART code has been generated in order to assess the irradiation behavior of UO 2 -Al dispersion fuel. The aluminum-fuel interaction models were developed based on U 3 O 8 -Al irradiation data. Deformation of the fuel element occurs due to fuel particle swelling driven by both solid and gaseous fission products and as a consequence of the interaction between the fuel particles and the aluminum matrix. The calculations show that, with the assumption that the correlations derived from U 3 O 8 are valid for UO 2 , the LEU UO 2 -Al with a 42% fuel volume loading (4 g U/cm 3 ) irradiated at fuel temperatures greater than 413 K should undergo breakaway swelling at core burnups greater than about 1.12 x 10 27 fissions m -3 (∼63% 235 U burnup). (author)

  4. Irradiation behavior of uranium oxide-aluminum dispersion fuel

    International Nuclear Information System (INIS)

    Hofman, G.L.; Rest, J.; Snelgrove, J.L.

    1996-01-01

    An oxide version of the DART code has been generated in order to assess the irradiation behavior of UO 2 -Al dispersion fuel. The aluminum-fuel interaction models were developed based on U 3 O 8 -Al irradiation data. Deformation of the fuel element occurs due to fuel particle swelling driven by both solid and gaseous fission products, as well as a consequence of the interaction between the fuel particles and the aluminum matrix. The calculations show, that with the assumption that the correlations derived from U 3 O 8 are valid for UO 2 , the LEU UO 2 -Al with a 42% fuel volume loading (4 gm/cc) irradiated at fuel temperatures greater than 413 K should undergo breakaway swelling at core burnups greater than about 1.12 x 10 27 fissions m -3 (∼ 63% 235 U burnup)

  5. Structure function of holographic quark-gluon plasma: Sakai-Sugimoto model versus its noncritical version

    International Nuclear Information System (INIS)

    Bu Yanyan; Yang Jinmin

    2011-01-01

    Motivated by recent studies of deep inelastic scattering off the N=4 super-Yang-Mills (SYM) plasma, holographically dual to an AdS 5 xS 5 black hole, we use the spacelike flavor current to probe the internal structure of one holographic quark-gluon plasma, which is described by the Sakai-Sugimoto model at high temperature phase (i.e., the chiral-symmetric phase). The plasma structure function is extracted from the retarded flavor current-current correlator. Our main aim in this paper is to explore the effect of nonconformality on these physical quantities. As usual, our study is under the supergravity approximation and the limit of large color number. Although the Sakai-Sugimoto model is nonconformal, which makes the calculations more involved than the well-studied N=4 SYM case, the result seems to indicate that the nonconformality has little essential effect on the physical picture of the internal structure of holographic plasma, which is consistent with the intuition from the asymptotic freedom of QCD at high energy. While the physical picture underlying our investigation is same as the deep inelastic scattering off the N=4 SYM plasma with(out) flavor, the plasma structure functions are quantitatively different, especially their scaling dependence on the temperature, which can be recognized as model dependent. As a comparison, we also do the same analysis for the noncritical version of the Sakai-Sugimoto model which is conformal in the sense that it has a constant dilaton vacuum. The result for this noncritical model is quite similar to the conformal N=4 SYM plasma. We therefore attribute the above difference to the effect of nonconformality of the Sakai-Sugimoto model.

  6. A new version of the CNRM Chemistry-Climate Model, CNRM-CCM: description and improvements from the CCMVal-2 simulations

    Directory of Open Access Journals (Sweden)

    M. Michou

    2011-10-01

    Full Text Available This paper presents a new version of the Météo-France CNRM Chemistry-Climate Model, so-called CNRM-CCM. It includes some fundamental changes from the previous version (CNRM-ACM which was extensively evaluated in the context of the CCMVal-2 validation activity. The most notable changes concern the radiative code of the GCM, and the inclusion of the detailed stratospheric chemistry of our Chemistry-Transport model MOCAGE on-line within the GCM. A 47-yr transient simulation (1960–2006 is the basis of our analysis. CNRM-CCM generates satisfactory dynamical and chemical fields in the stratosphere. Several shortcomings of CNRM-ACM simulations for CCMVal-2 that resulted from an erroneous representation of the impact of volcanic aerosols as well as from transport deficiencies have been eliminated.

    Remaining problems concern the upper stratosphere (5 to 1 hPa where temperatures are too high, and where there are biases in the NO2, N2O5 and O3 mixing ratios. In contrast, temperatures at the tropical tropopause are too cold. These issues are addressed through the implementation of a more accurate radiation scheme at short wavelengths. Despite these problems we show that this new CNRM CCM is a useful tool to study chemistry-climate applications.

  7. Mathematical Modeling of Nitrous Oxide Production during Denitrifying Phosphorus Removal Process.

    Science.gov (United States)

    Liu, Yiwen; Peng, Lai; Chen, Xueming; Ni, Bing-Jie

    2015-07-21

    A denitrifying phosphorus removal process undergoes frequent alternating anaerobic/anoxic conditions to achieve phosphate release and uptake, during which microbial internal storage polymers (e.g., Polyhydroxyalkanoate (PHA)) could be produced and consumed dynamically. The PHA turnovers play important roles in nitrous oxide (N2O) accumulation during the denitrifying phosphorus removal process. In this work, a mathematical model is developed to describe N2O dynamics and the key role of PHA consumption on N2O accumulation during the denitrifying phosphorus removal process for the first time. In this model, the four-step anoxic storage of polyphosphate and four-step anoxic growth on PHA using nitrate, nitrite, nitric oxide (NO), and N2O consecutively by denitrifying polyphosphate accumulating organisms (DPAOs) are taken into account for describing all potential N2O accumulation steps in the denitrifying phosphorus removal process. The developed model is successfully applied to reproduce experimental data on N2O production obtained from four independent denitrifying phosphorus removal study reports with different experimental conditions. The model satisfactorily describes the N2O accumulation, nitrogen reduction, phosphate release and uptake, and PHA dynamics for all systems, suggesting the validity and applicability of the model. The results indicated a substantial role of PHA consumption in N2O accumulation due to the relatively low N2O reduction rate by using PHA during denitrifying phosphorus removal.

  8. MACCS version 1.5.11.1: A maintenance release of the code

    International Nuclear Information System (INIS)

    Chanin, D.; Foster, J.; Rollstin, J.; Miller, L.

    1993-10-01

    A new version of the MACCS code (version 1.5.11.1) has been developed by Sandia National Laboratories under sponsorship of the US Nuclear Regulatory Commission. MACCS was developed to support evaluations of the off-site consequences from hypothetical severe accidents at commercial power plants. MACCS is the only current public domain code in the US that embodies all of the following modeling capabilities: (1) weather sampling using a year of recorded weather data; (2) mitigative actions such as evacuation, sheltering, relocation, decontamination, and interdiction; (3) economic costs of mitigative actions; (4) cloudshine, groundshine, and inhalation pathways as well as food and water ingestion; (5) calculation of both individual and societal doses to various organs; and (6) calculation of both acute (nonstochastic) and latent (stochastic) health effects and risks of health effects. All of the consequence measures may be fun generated in the form of a complementary cumulative distribution function (CCDF). The current version implements a revised cancer model consistent with recent reports such as BEIR V and ICRP 60. In addition, a number of error corrections and portability enhancements have been implemented. This report describes only the changes made in creating the new version. Users of the code will need to obtain the code's original documentation, NUREG/CR-4691

  9. TADIR-production version: El-Op's high-resolution 480x4 TDI thermal imaging system

    Science.gov (United States)

    Sarusi, Gabby; Ziv, Natan; Zioni, O.; Gaber, J.; Shechterman, Mark S.; Lerner, M.

    1999-07-01

    Efforts invested at El-Op during the last four years have led to the development of TADIR - engineering model thermal imager, demonstrated in 1998, and eventually to the final production version of TADIR to be demonstrated in full operation during 1999. Both versions take advantage of the high resolution and high sensitivity obtained by the 480 X 4 TDI MCT detector as well as many more features implemented in the system to obtain a state of the art high- end thermal imager. The production version of TADIR uses a 480 X 6 TDI HgCdTe detector made by the SCD Israeli company. In this paper, we will present the main features of the production version of TADIR.

  10. The operational eEMEP model version 10.4 for volcanic SO2 and ash forecasting

    Science.gov (United States)

    Steensen, Birthe M.; Schulz, Michael; Wind, Peter; Valdebenito, Álvaro M.; Fagerli, Hilde

    2017-05-01

    This paper presents a new version of the EMEP MSC-W model called eEMEP developed for transportation and dispersion of volcanic emissions, both gases and ash. EMEP MSC-W is usually applied to study problems with air pollution and aerosol transport and requires some adaptation to treat volcanic eruption sources and effluent dispersion. The operational set-up of model simulations in case of a volcanic eruption is described. Important choices have to be made to achieve CPU efficiency so that emergency situations can be tackled in time, answering relevant questions of ash advisory authorities. An efficient model needs to balance the complexity of the model and resolution. We have investigated here a meteorological uncertainty component of the volcanic cloud forecast by using a consistent ensemble meteorological dataset (GLAMEPS forecast) at three resolutions for the case of SO2 emissions from the 2014 Barðarbunga eruption. The low resolution (40 × 40 km) ensemble members show larger agreement in plume position and intensity, suggesting that the ensemble here does not give much added value. To compare the dispersion at different resolutions, we compute the area where the column load of the volcanic tracer, here SO2, is above a certain threshold, varied for testing purposes between 0.25 and 50 Dobson units. The increased numerical diffusion causes a larger area (+34 %) to be covered by the volcanic tracer in the low resolution simulations than in the high resolution ones. The higher resolution (10 × 10 km) ensemble members show higher column loads farther away from the volcanic eruption site in narrower clouds. Cloud positions are more varied between the high resolution members, and the cloud forms resemble the observed clouds more than the low resolution ones. For a volcanic emergency case this means that to obtain quickly results of the transport of volcanic emissions, an individual simulation with our low resolution is sufficient; however, to forecast peak

  11. Vietnamese validation of the short version of Internet Addiction Test.

    Science.gov (United States)

    Tran, Bach Xuan; Mai, Hue Thi; Nguyen, Long Hoang; Nguyen, Cuong Tat; Latkin, Carl A; Zhang, Melvyn W B; Ho, Roger C M

    2017-12-01

    The main goal of the present study was to examine the psychometric properties of a Vietnamese version of the short-version of Internet Addiction Test (s-IAT) and to assess the relationship between s-IAT scores and demographics, health related qualify of life and perceived stress scores in young Vietnamese. The Vietnamese version of s-IAT was administered to a sample of 589 participants. Exploratory factor and reliability analyses were performed. Regression analysis was used to identify the associated factors. The two-factor model of Vietnamese version of s-IAT demonstrated good psychometric properties. The internal consistency of Factor 1 (loss of control/time management) was high (Cronbach's alpha = 0.82) and Factor 2 (craving/social problems) was satisfactory (Cronbach's alpha = 0.75). Findings indicated that 20.9% youths were addicted to the Internet. Regression analysis revealed significant associations between Internet addiction and having problems in self-care, lower quality of life and high perceived stress scores. The Vietnamese version of s-IAT is a valid and reliable instrument to assess IA in Vietnamese population. Due to the high prevalence of IA among Vietnamese youths, IA should be paid attention in future intervention programs. s-IAT can be a useful screening tool for IA to promptly inform and treat the IA among Vietnamese youths.

  12. Synthesis of Graphite Oxide with Different Surface Oxygen Contents Assisted Microwave Radiation

    Directory of Open Access Journals (Sweden)

    Adriana Ibarra-Hernández

    2018-02-01

    Full Text Available Graphite oxide is synthesized via oxidation reaction using oxidant compounds that have lattice defects by the incorporation of unlike functional groups. Herein, we report the synthesis of the graphite oxide with diverse surface oxygen content through three (B, C, D different modified versions of the Hummers method assisted microwave radiation compared with the conventional graphite oxide sample obtained by Hummers method (A. These methods allow not only the production of graphite oxide but also reduced graphene oxide, without undergoing chemical, thermal, or mechanical reduction steps. The values obtained of C/O ratio were ~2, 3.4, and ~8.5 for methodologies C, B, and D, respectively, indicating the presence of graphite oxide and reduced graphene oxide, according to X-ray photoelectron spectroscopy. Raman spectroscopy of method D shows the fewest structural defects compared to the other methodologies. The results obtained suggest that the permanganate ion produces reducing species during graphite oxidation. The generation of these species is attributed to a reversible reaction between the permanganate ion with π electrons, ions, and radicals produced after treatment with microwave radiation.

  13. Lord-Wingersky Algorithm Version 2.0 for Hierarchical Item Factor Models with Applications in Test Scoring, Scale Alignment, and Model Fit Testing.

    Science.gov (United States)

    Cai, Li

    2015-06-01

    Lord and Wingersky's (Appl Psychol Meas 8:453-461, 1984) recursive algorithm for creating summed score based likelihoods and posteriors has a proven track record in unidimensional item response theory (IRT) applications. Extending the recursive algorithm to handle multidimensionality is relatively simple, especially with fixed quadrature because the recursions can be defined on a grid formed by direct products of quadrature points. However, the increase in computational burden remains exponential in the number of dimensions, making the implementation of the recursive algorithm cumbersome for truly high-dimensional models. In this paper, a dimension reduction method that is specific to the Lord-Wingersky recursions is developed. This method can take advantage of the restrictions implied by hierarchical item factor models, e.g., the bifactor model, the testlet model, or the two-tier model, such that a version of the Lord-Wingersky recursive algorithm can operate on a dramatically reduced set of quadrature points. For instance, in a bifactor model, the dimension of integration is always equal to 2, regardless of the number of factors. The new algorithm not only provides an effective mechanism to produce summed score to IRT scaled score translation tables properly adjusted for residual dependence, but leads to new applications in test scoring, linking, and model fit checking as well. Simulated and empirical examples are used to illustrate the new applications.

  14. The reliability and validity of the Chinese version of nurses' self-concept questionnaire.

    Science.gov (United States)

    Cao, Xiao Yi; Liu, Xiao Hong; Tian, Lang; Guo, Yan Qin

    2013-05-01

    To examine the reliability and validity of the Chinese version of nurses' self-concept questionnaire. Nurses' self-concept is important to alleviate the current shortage of nurses. Nurses' self-concept questionnaire is an effective instrument to measure nurses' self-perception of professional competencies. However, the psychometric properties of the Chinese version have not been tested. A two-stage research design was used in this study. At Stage 1347 registered nurses were recruited to establish the psychometric properties of the Chinese version. At Stage 2, a confirmatory factor analysis was used to examine the extracted factor structure from Stage 1 with 1017 respondents as a sample. The internal consistency of the Chinese version was 0.95 and the test-retest reliability was 0.83. The exploratory factor analysis extracted six dimensions. The findings at Stage 2 showed an acceptable model fit and discriminant validity. The Chinese version was a significant predictor of Maslach Burnout Inventory (β = -0.58; P = 0.00). This study verified the psychometric properties of the Chinese version of nurses' self-concept questionnaire. The Chinese version of nurses' self-concept questionnaire will facilitate the evaluation of professional self-concept among nurses and help to develop the individualized self-concept strategies. © 2012 Blackwell Publishing Ltd.

  15. Supercritical Water Oxidation: A Solution for the Elimination of Back-End Organic Reprocessing Wastes

    Energy Technology Data Exchange (ETDEWEB)

    Leybros, A.; Roubaud, A.; Turc, H.A.; Fournel, B. [Supercritical fluids and membranes Laboratory, CEA Valrho, BP 17171, 30207 Bagnols/Ceze Cedex (France)

    2008-07-01

    Supercritical water oxidation (SCWO) is a very efficient technique for total elimination of organic wastes from reprocessing activities on the way of 'zero wastes' facilities. This technology uses the properties of supercritical water (P > 221 bars and T > 647 K) to obtain a good mixing between oxygen (the oxidant) and the organic waste. Thereby, the oxidation reaction is fast and complete. Using the SCWO process, contamination contained in organic materials like spent solvents can be confined in a closed space, like a reactor in a glovebox. A new application is tested for the treatment of solid organic wastes like ion exchange resins (IER). Experiments are made with suspensions of IER in water and isopropyl-alcohol. A nuclear version of the process with the double shell reactor has been constructed and is being tested. The aim of this work is to obtain a treatment capacity of 1 kg/h for the nuclear version with the same global set-up, concept of process and security as well as contamination management as for a 200 g/h pilot. (authors)

  16. Supercritical Water Oxidation: A Solution for the Elimination of Back-End Organic Reprocessing Wastes

    International Nuclear Information System (INIS)

    Leybros, A.; Roubaud, A.; Turc, H.A.; Fournel, B.

    2008-01-01

    Supercritical water oxidation (SCWO) is a very efficient technique for total elimination of organic wastes from reprocessing activities on the way of 'zero wastes' facilities. This technology uses the properties of supercritical water (P > 221 bars and T > 647 K) to obtain a good mixing between oxygen (the oxidant) and the organic waste. Thereby, the oxidation reaction is fast and complete. Using the SCWO process, contamination contained in organic materials like spent solvents can be confined in a closed space, like a reactor in a glovebox. A new application is tested for the treatment of solid organic wastes like ion exchange resins (IER). Experiments are made with suspensions of IER in water and isopropyl-alcohol. A nuclear version of the process with the double shell reactor has been constructed and is being tested. The aim of this work is to obtain a treatment capacity of 1 kg/h for the nuclear version with the same global set-up, concept of process and security as well as contamination management as for a 200 g/h pilot. (authors)

  17. Categorical Inputs, Sensitivity Analysis, Optimization and Importance Tempering with tgp Version 2, an R Package for Treed Gaussian Process Models

    Directory of Open Access Journals (Sweden)

    Robert B. Gramacy

    2010-02-01

    Full Text Available This document describes the new features in version 2.x of the tgp package for R, implementing treed Gaussian process (GP models. The topics covered include methods for dealing with categorical inputs and excluding inputs from the tree or GP part of the model; fully Bayesian sensitivity analysis for inputs/covariates; sequential optimization of black-box functions; and a new Monte Carlo method for inference in multi-modal posterior distributions that combines simulated tempering and importance sampling. These additions extend the functionality of tgp across all models in the hierarchy: from Bayesian linear models, to classification and regression trees (CART, to treed Gaussian processes with jumps to the limiting linear model. It is assumed that the reader is familiar with the baseline functionality of the package, outlined in the first vignette (Gramacy 2007.

  18. Modeling of Oxidized PTH (oxPTH and Non-oxidized PTH (n-oxPTH Receptor Binding and Relationship of Oxidized to Non-Oxidized PTH in Children with Chronic Renal Failure, Adult Patients on Hemodialysis and Kidney Transplant Recipients

    Directory of Open Access Journals (Sweden)

    Berthold Hocher

    2013-07-01

    Full Text Available Background: The biological properties of oxidized and non-oxidized PTH are substantially different. Oxidized PTH (oxPTH loses its PTH receptor-stimulating properties, whereas non-oxidized PTH (n-oxPTH is a full agonist of the receptor. This was described in more than 20 well published studies in the 1970s and 80s. However, PTH oxidation has been ignored during the development of PTH assays for clinical use so far. Even the nowadays used third generation assay systems do not consider oxidation of PTH We recently developed an assay to differentiate between oxPTH and n-oxPTH. In the current study we established normal values for this assay system. Furthermore, we compare the ratio of oxPTH to n-oxPTH in different population with chronic renal failure: 620 children with renal failure stage 2-4 of the 4C study, 342 adult patients on dialysis, and 602 kidney transplant recipients. In addition, we performed modeling of the interaction of either oxPTH or n-oxPTH with the PTH receptor using biophysical structure approaches. Results: The children had the highest mean as well as maximum n-oxPTH concentrations as compared to adult patients (both patients on dialysis as well as kidney transplant recipients. The relationship between oxPTH and n-oxPTH of individual patients varied substantially in all three populations with renal impairment. The analysis of n-oxPTH in 89 healthy control subjects revealed that n-oxPTH concentrations in patient with renal failure were higher as compared to healthy adult controls (2.25-fold in children with renal failure, 1.53-fold in adult patients on dialysis, and 1.56-fold in kidney transplant recipients, respectively. Computer assisted biophysical structure modeling demonstrated, however, minor sterical- and/or electrostatic changes in oxPTH and n-oxPTH. This indicated that PTH oxidation may induce refolding of PTH and hence alters PTH-PTH receptor interaction via oxidation induced three-dimensional structure alteration of

  19. Embrittlement data base, version 1

    International Nuclear Information System (INIS)

    Wang, J.A.

    1997-08-01

    The aging and degradation of light-water-reactor (LWR) pressure vessels is of particular concern because of their relevance to plant integrity and the magnitude of the expected irradiation embrittlement. The radiation embrittlement of reactor pressure vessel (RPV) materials depends on many different factors such as flux, fluence, fluence spectrum, irradiation temperature, and preirradiation material history and chemical compositions. These factors must be considered to reliably predict pressure vessel embrittlement and to ensure the safe operation of the reactor. Based on embrittlement predictions, decisions must be made concerning operating parameters and issues such as low-leakage-fuel management, possible life extension, and the need for annealing the pressure vessel. Large amounts of data from surveillance capsules and test reactor experiments, comprising many different materials and different irradiation conditions, are needed to develop generally applicable damage prediction models that can be used for industry standards and regulatory guides. Version 1 of the Embrittlement Data Base (EDB) is such a comprehensive collection of data resulting from merging version 2 of the Power Reactor Embrittlement Data Base (PR-EDB). Fracture toughness data were also integrated into Version 1 of the EDB. For power reactor data, the current EDB lists the 1,029 Charpy transition-temperature shift data points, which include 321 from plates, 125 from forgoings, 115 from correlation monitor materials, 246 from welds, and 222 from heat-affected-zone (HAZ) materials that were irradiated in 271 capsules from 101 commercial power reactors. For test reactor data, information is available for 1,308 different irradiated sets (352 from plates, 186 from forgoings, 303 from correlation monitor materials, 396 from welds and 71 from HAZs) and 268 different irradiated plus annealed data sets

  20. Modeling on oxide dependent 2DEG sheet charge density and threshold voltage in AlGaN/GaN MOSHEMT

    Science.gov (United States)

    Panda, J.; Jena, K.; Swain, R.; Lenka, T. R.

    2016-04-01

    We have developed a physics based analytical model for the calculation of threshold voltage, two dimensional electron gas (2DEG) density and surface potential for AlGaN/GaN metal oxide semiconductor high electron mobility transistors (MOSHEMT). The developed model includes important parameters like polarization charge density at oxide/AlGaN and AlGaN/GaN interfaces, interfacial defect oxide charges and donor charges at the surface of the AlGaN barrier. The effects of two different gate oxides (Al2O3 and HfO2) are compared for the performance evaluation of the proposed MOSHEMT. The MOSHEMTs with Al2O3 dielectric have an advantage of significant increase in 2DEG up to 1.2 × 1013 cm-2 with an increase in oxide thickness up to 10 nm as compared to HfO2 dielectric MOSHEMT. The surface potential for HfO2 based device decreases from 2 to -1.6 eV within 10 nm of oxide thickness whereas for the Al2O3 based device a sharp transition of surface potential occurs from 2.8 to -8.3 eV. The variation in oxide thickness and gate metal work function of the proposed MOSHEMT shifts the threshold voltage from negative to positive realizing the enhanced mode operation. Further to validate the model, the device is simulated in Silvaco Technology Computer Aided Design (TCAD) showing good agreement with the proposed model results. The accuracy of the developed calculations of the proposed model can be used to develop a complete physics based 2DEG sheet charge density and threshold voltage model for GaN MOSHEMT devices for performance analysis.

  1. Polyaniline: Aniline oxidation with strong and weak oxidants under various acidity

    Energy Technology Data Exchange (ETDEWEB)

    Bláha, Michal, E-mail: blaha@imc.cas.cz [Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, 162 06 Prague 6 (Czech Republic); Trchová, Miroslava; Bober, Patrycja; Morávková, Zuzana [Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, 162 06 Prague 6 (Czech Republic); Prokeš, Jan [Charles University, Faculty of Mathematics and Physics, 180 00 Prague 8 (Czech Republic); Stejskal, Jaroslav [Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, 162 06 Prague 6 (Czech Republic)

    2017-06-15

    Aniline was oxidized with three strong inorganic oxidants (ammonium peroxydisulfate, cerium(IV) sulfate, potassium dichromate), two weak inorganic oxidants (iron(III) chloride, silver nitrate), and one organic oxidant (p-benzoquinone) in aqueous solutions of methanesulfonic acid (MSA) of various concentration. Whereas oxidation of aniline with ammonium peroxydisulfate yielded high-molecular-weight conducting polyaniline (PANI) in the whole acidity range, the oxidation with cerium(IV) sulfate led also to a single product close to PANI with considerably lower molecular weight and lower conductivity. Potassium dichromate gave PANI only at high concentration of MSA. The use of iron(III) chloride yielded composite mixtures of PANI and low-molecular-weight aniline oligomers. The oxidation of aniline with silver nitrate led to composites of silver and an organic part, which was constituted either by aniline oligomers or conducting polyaniline or both. p-Benzoquinone as oxidant produced mainly aniline oligomers with poor conductivity and 2,5-dianilino-p-benzoquinone-like structure detected in FTIR and Raman spectra when oxidation proceeded with weak oxidants. A general model of oxidation with strong and weak oxidants was formulated. - Highlights: • Comparison of aniline oxidation with oxidants of different redox potential. • UV–vis, FTIR and Raman spectroscopies combined with size-exclusion chromatography. • The contents of polymer and oligomers were analyzed and discussed. • General model of aniline oxidation with strong and weak oxidants was formulated.

  2. Dynamic modelling of nitrous oxide emissions from three Swedish sludge liquor treatment systems

    DEFF Research Database (Denmark)

    Lindblom, E.; Arnell, M.; Flores-Alsina, X.

    2016-01-01

    The objective of this paper is to model the dynamics and validate the results of nitrous oxide (N2O)emissions from three Swedish nitrifying/denitrifying, nitritation and anammox systems treating real anaerobic digester sludge liquor. The Activated Sludge Model No. 1 is extended to describe N2O...

  3. Detailed analysis of the Japanese version of the Rapid Dementia Screening Test, revised version.

    Science.gov (United States)

    Moriyama, Yasushi; Yoshino, Aihide; Muramatsu, Taro; Mimura, Masaru

    2017-11-01

    The number-transcoding task on the Japanese version of the Rapid Dementia Screening Test (RDST-J) requires mutual conversion between Arabic and Chinese numerals (209 to , 4054 to , to 681, to 2027). In this task, question and answer styles of Chinese numerals are written horizontally. We investigated the impact of changing the task so that Chinese numerals are written vertically. Subjects were 211 patients with very mild to severe Alzheimer's disease and 42 normal controls. Mini-Mental State Examination scores ranged from 26 to 12, and Clinical Dementia Rating scores ranged from 0.5 to 3. Scores of all four subtasks of the transcoding task significantly improved in the revised version compared with the original version. The sensitivity and specificity of total scores ≥9 on the RDST-J original and revised versions for discriminating between controls and subjects with Clinical Dementia Rating scores of 0.5 were 63.8% and 76.6% on the original and 60.1% and 85.8% on revised version. The revised RDST-J total score had low sensitivity and high specificity compared with the original RDST-J for discriminating subjects with Clinical Dementia Rating scores of 0.5 from controls. © 2017 Japanese Psychogeriatric Society.

  4. Modeling Degradation in Solid Oxide Electrolysis Cells

    Energy Technology Data Exchange (ETDEWEB)

    Manohar S. Sohal; Anil V. Virkar; Sergey N. Rashkeev; Michael V. Glazoff

    2010-09-01

    Idaho National Laboratory has an ongoing project to generate hydrogen from steam using solid oxide electrolysis cells (SOECs). To accomplish this, technical and degradation issues associated with the SOECs will need to be addressed. This report covers various approaches being pursued to model degradation issues in SOECs. An electrochemical model for degradation of SOECs is presented. The model is based on concepts in local thermodynamic equilibrium in systems otherwise in global thermodynamic no equilibrium. It is shown that electronic conduction through the electrolyte, however small, must be taken into account for determining local oxygen chemical potential, , within the electrolyte. The within the electrolyte may lie out of bounds in relation to values at the electrodes in the electrolyzer mode. Under certain conditions, high pressures can develop in the electrolyte just near the oxygen electrode/electrolyte interface, leading to oxygen electrode delamination. These predictions are in accordance with the reported literature on the subject. Development of high pressures may be avoided by introducing some electronic conduction in the electrolyte. By combining equilibrium thermodynamics, no equilibrium (diffusion) modeling, and first-principles, atomic scale calculations were performed to understand the degradation mechanisms and provide practical recommendations on how to inhibit and/or completely mitigate them.

  5. Version 2 of RSXMULTI

    International Nuclear Information System (INIS)

    Heinicke, P.; Berg, D.; Constanta-Fanourakis, P.; Quigg, E.K.

    1985-01-01

    MULTI is a general purpose, high speed, high energy physics interface to data acquisition and data investigation system that runs on PDP-11 and VAX architecture. This paper describes the latest version of MULTI, which runs under RSX-11M version 4.1 and supports a modular approach to the separate tasks that interface to it, allowing the same system to be used in single CPU test beam experiments as well as multiple interconnected CPU, large scale experiments. MULTI uses CAMAC (IEE-583) for control and monitoring of an experiment, and is written in FORTRAN-77 and assembler. The design of this version, which simplified the interface between tasks, and eliminated the need for a hard to maintain homegrown I/O system is also discussed

  6. Three-phase boundary length in solid-oxide fuel cells: A mathematical model

    Energy Technology Data Exchange (ETDEWEB)

    Janardhanan, Vinod M. [Institutefor Chemical Technology and Polymer Chemistry, University of Karlsruhe (TH), Kaiserstr. 12, D-76128 Karlsruhe (Germany); Heuveline, Vincent; Deutschmann, Olaf [Institute for Applied and Numerical Mathematics, University of Karlsruhe (TH), Kaiserstr. 12, D-76128 Karlsruhe (Germany)

    2008-03-15

    A mathematical model to calculate the volume specific three-phase boundary length in the porous composite electrodes of solid-oxide fuel cell is presented. The model is exclusively based on geometrical considerations accounting for porosity, particle diameter, particle size distribution, and solids phase distribution. Results are presented for uniform particle size distribution as well as for non-uniform particle size distribution. (author)

  7. Three-phase boundary length in solid-oxide fuel cells: A mathematical model

    Science.gov (United States)

    Janardhanan, Vinod M.; Heuveline, Vincent; Deutschmann, Olaf

    A mathematical model to calculate the volume specific three-phase boundary length in the porous composite electrodes of solid-oxide fuel cell is presented. The model is exclusively based on geometrical considerations accounting for porosity, particle diameter, particle size distribution, and solids phase distribution. Results are presented for uniform particle size distribution as well as for non-uniform particle size distribution.

  8. Development of the short version of the informal caregiver burden assessment questionnaire

    Directory of Open Access Journals (Sweden)

    Teresa Martins

    2015-04-01

    Full Text Available OBJETIVE to create a reduced version of the QASCI, which is structurally equivalent to the long one and meets the criteria of reliability and validity. METHOD Through secondary data from previous studies, the participants were divided into two samples, one for the development of reduced version and the second for study of the factorial validity. Participants responded to QASCI, the SF 36, the ADHS and demographic questions. RESULTS A reduced version of 14 items showed adequate psychometric properties of validity and internal consistency, adapted to a heptadimensional structure that assesses positive and negative aspects of care. CONCLUSION Confirmatory factor analysis revealed a good fit with the advocated theoretical model.

  9. Modeling arsenite oxidation by chemoautotrophic Thiomonas arsenivorans strain b6 in a packed-bed bioreactor

    Energy Technology Data Exchange (ETDEWEB)

    Dastidar, Aniruddha, E-mail: andy.dastidar@ky.gov [USEPA Research Participant, Division of Water, Frankfort, KY 40601 (United States); Wang, Yi-Tin, E-mail: ywang@engr.uky.edu [Department of Civil Engineering, University of Kentucky, Lexington (United States)

    2012-08-15

    Arsenic is a major toxic pollutant of concern for the human health. Biological treatment of arsenic contaminated water is an alternative strategy to the prevalent conventional treatments. The biological treatment involves a pre-oxidation step transforming the most toxic form of arsenic, As (III), to the least toxic form, As (V), respectively. This intermediate process improves the overall efficiency of total arsenic removal from the contaminated water. As (III) oxidation by the chemoautotrophic bacterium Thiomonas arsenivorans strain b6 was investigated in a fixed-film reactor under variable influent As (III) concentrations (500-4000 mg/L) and hydraulic residence times (HRTs) (0.2-1 day) for a duration of 137 days. During the entire operation, seven steady-state conditions were obtained with As (III) oxidation efficiency ranging from 48.2% to 99.3%. The strong resilience of the culture was exhibited by the recovery of the bioreactor from an As (III) overloading of 5300 {+-} 400 mg As (III)/L day operated at a HRT of 0.2 day. An arsenic mass balance revealed that As (III) was mainly oxidized to As (V) with unaccounted arsenic ({<=} 4%) well within the analytical error of measurement. A modified Monod flux expression was used to determine the biokinetic parameters by fitting the model against the observed steady-state flux data obtained from operating the bioreactor under a range of HRTs (0.2-1 day) and a constant influent As (III) concentration of 500 mg/L. Model parameters, k = 0.71 {+-} 0.1 mg As (III)/mg cells h, and K{sub s} = 13.2 {+-} 2.8 mg As (III)/L were obtained using a non-linear estimation routine and employing the Marquardt-Levenberg algorithm. Sensitivity analysis revealed k to be more sensitive to model simulations of As (III) oxidation under steady-state conditions than parameter K{sub s}. -- Highlights: Black-Right-Pointing-Pointer As (III) oxidation. Black-Right-Pointing-Pointer Biokinetic parameters. Black-Right-Pointing-Pointer Model validation

  10. Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study

    KAUST Repository

    Wang, Zhandong

    2015-07-01

    Ethylcyclohexane (ECH) is a model compound for cycloalkanes with long alkyl side-chains. A preliminary investigation on ECH (Wang et al., Proc. Combust. Inst., 35, 2015, 367-375) revealed that an accurate ECH kinetic model with detailed fuel consumption mechanism and aromatic growth pathways, as well as additional ECH pyrolysis and oxidation data with detailed species concentration covering a wide pressure and temperature range are required to understand the ECH combustion kinetics. In this work, the flow reactor pyrolysis of ECH at various pressures (30, 150 and 760Torr) was studied using synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (PIMS) and gas chromatography (GC). The mole fraction profiles of numerous major and minor species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high temperature pyrolysis and oxidation was developed and validated against the pyrolysis and flame data performed in this work. Further validation of the kinetic model is presented against literature data including species concentrations in jet-stirred reactor oxidation, ignition delay times in a shock tube, and laminar flame speeds at various pressures and equivalence ratios. The model well predicts the consumption of ECH, the growth of aromatics, and the global combustion properties. Reaction flux and sensitivity analysis were utilized to elucidate chemical kinetic features of ECH combustion under various reaction conditions. © 2015 The Combustion Institute.

  11. SHADOW3: a new version of the synchrotron X-ray optics modelling package

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez del Rio, Manuel, E-mail: srio@esrf.eu [European Synchrotron Radiation Facility, 6 Jules Horowitz, 38000 Grenoble (France); Canestrari, Niccolo [CNRS, Grenoble (France); European Synchrotron Radiation Facility, 6 Jules Horowitz, 38000 Grenoble (France); Jiang, Fan; Cerrina, Franco [Boston University, 8 St Mary’s Street, Boston, MA 02215 (United States)

    2011-09-01

    SHADOW3, a new version of the X-ray tracing code SHADOW, is introduced. A new version of the popular X-ray tracing code SHADOW is presented. An important step has been made in restructuring the code following new computer engineering standards, ending with a modular Fortran 2003 structure and an application programming interface (API). The new code has been designed to be compatible with the original file-oriented SHADOW philosophy, but simplifying the compilation, installation and use. In addition, users can now become programmers using the newly designed SHADOW3 API for creating scripts, macros and programs; being able to deal with optical system optimization, image simulation, and also low transmission calculations requiring a large number of rays (>10{sup 6}). Plans for future development and questions on how to accomplish them are also discussed.

  12. Oxidative stress in a rat model of cotton smoke inhalation-induced ...

    African Journals Online (AJOL)

    Background: Smoke inhalation injury refers to airway and lung parenchyma injury and general chemical damage caused by inhaling toxic gases and substances. The aim of this study was to explore the oxidative stress mechanism of cotton smoke inhalation-induced pulmonary injury in a rat model. Materials and Methods: ...

  13. Simulation Experiment Description Markup Language (SED-ML) Level 1 Version 2.

    Science.gov (United States)

    Bergmann, Frank T; Cooper, Jonathan; Le Novère, Nicolas; Nickerson, David; Waltemath, Dagmar

    2015-09-04

    The number, size and complexity of computational models of biological systems are growing at an ever increasing pace. It is imperative to build on existing studies by reusing and adapting existing models and parts thereof. The description of the structure of models is not sufficient to enable the reproduction of simulation results. One also needs to describe the procedures the models are subjected to, as recommended by the Minimum Information About a Simulation Experiment (MIASE) guidelines. This document presents Level 1 Version 2 of the Simulation Experiment Description Markup Language (SED-ML), a computer-readable format for encoding simulation and analysis experiments to apply to computational models. SED-ML files are encoded in the Extensible Markup Language (XML) and can be used in conjunction with any XML-based model encoding format, such as CellML or SBML. A SED-ML file includes details of which models to use, how to modify them prior to executing a simulation, which simulation and analysis procedures to apply, which results to extract and how to present them. Level 1 Version 2 extends the format by allowing the encoding of repeated and chained procedures.

  14. Modeling of oxide reduction in repeated-batch pyroprocessing

    International Nuclear Information System (INIS)

    Lee, Hyo Jik; Im, Hun Suk; Park, Geun Il

    2016-01-01

    Highlights: • Pyroprocessing is a complicated batch-type operation. • Discrete event system modeling was used to create an integrated operation model. • Simulation showed that could be accomplished. • The dynamic material flow helps us understand the process operation. • We showed that complex material flow could be simulated in terms of mass balance. - Abstract: Pyroprocessing is a complicated batch-type operation, involving a highly complex material flow logic with a huge number of unit processes. Discrete event system modeling was used to create an integrated operation model for which simulation showed that dynamic material flow could be accomplished to provide considerable insight into the process operation. In the model simulation, the amount of material transported upstream and downstream in the process satisfies a mass balance equation while considering the hold-up incurred by every batch operation. This study also simulated, in detail, an oxide reduction group process embracing electrolytic reduction, cathode processing, and salt purification. Based on the default operation scenario, it showed that complex material flows could be precisely simulated in terms of the mass balance. Specifically, the amount of high-heat elements remaining in the molten salt bath is analyzed to evaluate the operation scenario.

  15. Features of the latest version of the PHITS code

    International Nuclear Information System (INIS)

    Sato, Tatsuhiko; Matsuda, Norihiro; Hashimoto, Shintaro; Iwamoto, Yosuke; Noda, Shusaku; Ogawa, Tatsuhiko; Nakajima, Hiroshi; Fukahori, Tokio; Okumura, Keisuke; Kai, Tetsuya; Chiba, Satoshi; Niita, Koji; Iwase, Hiroshi; Furuta, Takuya

    2013-01-01

    A Multi-purpose Monte Carlo Particle and Heavy Ion Transport code System, PHITS, developed through collaborations between JAEA and several institutes in Japan and Europe, and upgraded recently and released as PHITS2.52 is presented as an overview. In the new version, higher accuracy of the simulation was achieved by implementing the latest nuclear reaction models such as Liege intra-nuclear cascade version 4.6 (INCL4.6) and a statistical multi-fragmentation model including JAM and JQMD for high-energy regions. The reliability of the simulation code was improved by modifying both the algorithms for the electron-, positron-, and photon-transport simulations in terms of not only the code itself but also the contents of its package, such as the attached data libraries. More than 800 researchers have been registered as PHITS users, and they apply the code to various research and development fields such as nuclear technology, accelerator design, medical physics, and cosmic-ray research. (S. Ohno)

  16. Calcium-manganese oxides as structural and functional models for active site in oxygen evolving complex in photosystem II: lessons from simple models.

    Science.gov (United States)

    Najafpour, Mohammad Mahdi

    2011-01-01

    The oxygen evolving complex in photosystem II which induces the oxidation of water to dioxygen in plants, algae and certain bacteria contains a cluster of one calcium and four manganese ions. It serves as a model to split water by sunlight. Reports on the mechanism and structure of photosystem II provide a more detailed architecture of the oxygen evolving complex and the surrounding amino acids. One challenge in this field is the development of artificial model compounds to study oxygen evolution reaction outside the complicated environment of the enzyme. Calcium-manganese oxides as structural and functional models for the active site of photosystem II are explained and reviewed in this paper. Because of related structures of these calcium-manganese oxides and the catalytic centers of active site of the oxygen evolving complex of photosystem II, the study may help to understand more about mechanism of oxygen evolution by the oxygen evolving complex of photosystem II. Copyright © 2010 Elsevier B.V. All rights reserved.

  17. Regional hydrogeological simulations. Numerical modelling using ConnectFlow. Preliminary site description Simpevarp sub area - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Hartley, Lee; Hoch, Andrew; Hunter, Fiona; Jackson, Peter [Serco Assurance, Risley (United Kingdom); Marsic, Niko [Kemakta Konsult, Stockholm (Sweden)

    2005-02-01

    objective of this study is to support the development of a preliminary Site Description of the Simpevarp area on a regional-scale based on the available data of August 2004 (Data Freeze S1.2) and the previous Site Description. A more specific objective of this study is to assess the role of known and unknown hydrogeological conditions for the present-day distribution of saline groundwater in the Simpevarp area on a regional-scale. An improved understanding of the paleo-hydrogeology is necessary in order to gain credibility for the Site Description in general and the hydrogeological description in particular. This is to serve as a basis for describing the present hydrogeological conditions on a local-scale as well as predictions of future hydrogeological conditions. Other key objectives were to identify the model domain required to simulate regional flow and solute transport at the Simpevarp area and to incorporate a new geological model of the deformation zones produced for Version S1.2.Another difference with Version S1.1 is the increased effort invested in conditioning the hydrogeological property models to the fracture boremap and hydraulic data. A new methodology was developed for interpreting the discrete fracture network (DFN) by integrating the geological description of the DFN (GeoDFN) with the hydraulic test data from Posiva Flow-Log and Pipe-String System double-packer techniques to produce a conditioned Hydro-DFN model. This was done in a systematic way that addressed uncertainties associated with the assumptions made in interpreting the data, such as the relationship between fracture transmissivity and length. Consistent hydraulic data was only available for three boreholes, and therefore only relatively simplistic models were proposed as there isn't sufficient data to justify extrapolating the DFN away from the boreholes based on rock domain, for example. Significantly, a far greater quantity of hydro-geochemical data was available for calibration in the

  18. Using multiple biomarkers and determinants to obtain a better measurement of oxidative stress: a latent variable structural equation model approach.

    Science.gov (United States)

    Eldridge, Ronald C; Flanders, W Dana; Bostick, Roberd M; Fedirko, Veronika; Gross, Myron; Thyagarajan, Bharat; Goodman, Michael

    2017-09-01

    Since oxidative stress involves a variety of cellular changes, no single biomarker can serve as a complete measure of this complex biological process. The analytic technique of structural equation modeling (SEM) provides a possible solution to this problem by modelling a latent (unobserved) variable constructed from the covariance of multiple biomarkers. Using three pooled datasets, we modelled a latent oxidative stress variable from five biomarkers related to oxidative stress: F 2 -isoprostanes (FIP), fluorescent oxidation products, mitochondrial DNA copy number, γ-tocopherol (Gtoc) and C-reactive protein (CRP, an inflammation marker closely linked to oxidative stress). We validated the latent variable by assessing its relation to pro- and anti-oxidant exposures. FIP, Gtoc and CRP characterized the latent oxidative stress variable. Obesity, smoking, aspirin use and β-carotene were statistically significantly associated with oxidative stress in the theorized directions; the same exposures were weakly and inconsistently associated with the individual biomarkers. Our results suggest that using SEM with latent variables decreases the biomarker-specific variability, and may produce a better measure of oxidative stress than do single variables. This methodology can be applied to similar areas of research in which a single biomarker is not sufficient to fully describe a complex biological phenomenon.

  19. Infrastructure Upgrades to Support Model Longevity and New Applications: The Variable Infiltration Capacity Model Version 5.0 (VIC 5.0)

    Science.gov (United States)

    Nijssen, B.; Hamman, J.; Bohn, T. J.

    2015-12-01

    The Variable Infiltration Capacity (VIC) model is a macro-scale semi-distributed hydrologic model. VIC development began in the early 1990s and it has been used extensively, applied from basin to global scales. VIC has been applied in a many use cases, including the construction of hydrologic data sets, trend analysis, data evaluation and assimilation, forecasting, coupled climate modeling, and climate change impact analysis. Ongoing applications of the VIC model include the University of Washington's drought monitor and forecast systems, and NASA's land data assimilation systems. The development of VIC version 5.0 focused on reconfiguring the legacy VIC source code to support a wider range of modern modeling applications. The VIC source code has been moved to a public Github repository to encourage participation by the model development community-at-large. The reconfiguration has separated the physical core of the model from the driver, which is responsible for memory allocation, pre- and post-processing and I/O. VIC 5.0 includes four drivers that use the same physical model core: classic, image, CESM, and Python. The classic driver supports legacy VIC configurations and runs in the traditional time-before-space configuration. The image driver includes a space-before-time configuration, netCDF I/O, and uses MPI for parallel processing. This configuration facilitates the direct coupling of streamflow routing, reservoir, and irrigation processes within VIC. The image driver is the foundation of the CESM driver; which couples VIC to CESM's CPL7 and a prognostic atmosphere. Finally, we have added a Python driver that provides access to the functions and datatypes of VIC's physical core from a Python interface. This presentation demonstrates how reconfiguring legacy source code extends the life and applicability of a research model.

  20. NOAA Climate Data Record (CDR) of Sea Surface Temperature - WHOI, Version 1.0 (Version Superseded)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Please note, this dataset has been superseded by a newer version (see below). Users should not use this version except in rare cases (e.g., when reproducing previous...

  1. NOAA Climate Data Record (CDR) of Ocean Near Surface Atmospheric Properties, Version 1 (Version Superseded)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Please note, this dataset has been superseded by a newer version (see below). Users should not use this version except in rare cases (e.g., when reproducing previous...

  2. Conversion tool for the LWR transient analysis code RELAP5 from the CDC version to the FACOM version

    International Nuclear Information System (INIS)

    Shinozawa, Naohisa; Fujisaki, Masahide; Makino, Mitsuhiro; Kondou, Kazuya; Ishiguro, Misako

    1987-01-01

    The LWR transient analysis code RELAP5 has been developed on the CDC-CYBER 176 at Idaho National Engineering Laboratory (INEL), the RELAP5 code has been often updated in order to extend the analyzing model and correct the errors. At Japan Atomic Energy Research Institute the code has been converted from the CDC version to the FACOM version and the converted code has been used. The conversion is the task which consumes a lot of time, because the code is large and there is the difference between CDC's machines and FACOM's ones. In order to convert the RELAP5 code automatically, the software tool has been developed. By using this tools the efficiency for converting the RELAP5 code has been improved. Productivity of the conversion is increased about 2.0 to 2.6 times by the tools in comparison with in manual. The procedure of conversion by using the tools and the option parameters of each tool are described. (author)

  3. Extensions of MAD Version 8 to Include Beam Acceleration

    International Nuclear Information System (INIS)

    Raubenheimer, Tor O

    2000-01-01

    In this paper, the authors describe modifications to MAD version 8.23 to include linear accelerator cavities and beam acceleration. An additional energy variable has been added which is modified as the beam passes through LCAV elements (linear accelerator cavities) and can be used as a constraint in matching commands. The calculation of the beta functions and phase advance is consistent with that in other codes that treat acceleration such as TRANSPORT or DIMAD. These modifications allow this version of MAD to be used for the design and modeling of linacs and the authors present examples from the Next Linear Collider design as well as a muon acceleration complex. The code is available from CERN or SLAC

  4. Reliability and validity of the Japanese version of the Resilience Scale and its short version

    Directory of Open Access Journals (Sweden)

    Kondo Maki

    2010-11-01

    Full Text Available Abstract Background The clinical relevance of resilience has received considerable attention in recent years. The aim of this study is to demonstrate the reliability and validity of the Japanese version of the Resilience Scale (RS and short version of the RS (RS-14. Findings The original English version of RS was translated to Japanese and the Japanese version was confirmed by back-translation. Participants were 430 nursing and university psychology students. The RS, Center for Epidemiologic Studies Depression Scale (CES-D, Rosenberg Self-Esteem Scale (RSES, Social Support Questionnaire (SSQ, Perceived Stress Scale (PSS, and Sheehan Disability Scale (SDS were administered. Internal consistency, convergent validity and factor loadings were assessed at initial assessment. Test-retest reliability was assessed using data collected from 107 students at 3 months after baseline. Mean score on the RS was 111.19. Cronbach's alpha coefficients for the RS and RS-14 were 0.90 and 0.88, respectively. The test-retest correlation coefficients for the RS and RS-14 were 0.83 and 0.84, respectively. Both the RS and RS-14 were negatively correlated with the CES-D and SDS, and positively correlated with the RSES, SSQ and PSS (all p Conclusions This study demonstrates that the Japanese version of RS has psychometric properties with high degrees of internal consistency, high test-retest reliability, and relatively low concurrent validity. RS-14 was equivalent to the RS in internal consistency, test-retest reliability, and concurrent validity. Low scores on the RS, a positive correlation between the RS and perceived stress, and a relatively low correlation between the RS and depressive symptoms in this study suggest that validity of the Japanese version of the RS might be relatively low compared with the original English version.

  5. Modelling ionising radiation induced defect generation in bipolar oxides with gated diodes

    International Nuclear Information System (INIS)

    Barnaby, H.J.; Cirba, C.; Schrimpf, R.D.; Kosier, St.; Fouillat, P.; Montagner, X.

    1999-01-01

    Radiation-induced oxide defects that degrade electrical characteristics of bipolar junction transistor (BJTs) can be measured with the use of gated diodes. The buildup of defects and their effect on device radiation response are modeled with computer simulation. (authors)

  6. Extending the benchmark simulation model no2 with processes for nitrous oxide production and side-stream nitrogen removal

    DEFF Research Database (Denmark)

    Boiocchi, Riccardo; Sin, Gürkan; Gernaey, Krist V.

    2015-01-01

    In this work the Benchmark Simulation Model No.2 is extended with processes for nitrous oxide production and for side-stream partial nitritation/Anammox (PN/A) treatment. For these extensions the Activated Sludge Model for Greenhouse gases No.1 was used to describe the main waterline, whereas...... the Complete Autotrophic Nitrogen Removal (CANR) model was used to describe the side-stream (PN/A) treatment. Comprehensive simulations were performed to assess the extended model. Steady-state simulation results revealed the following: (i) the implementation of a continuous CANR side-stream reactor has...... increased the total nitrogen removal by 10%; (ii) reduced the aeration demand by 16% compared to the base case, and (iii) the activity of ammonia-oxidizing bacteria is most influencing nitrous oxide emissions. The extended model provides a simulation platform to generate, test and compare novel control...

  7. Emissivity model of steel 430 during the growth of oxide layer at 800-1100 K and 1.5 μm

    Science.gov (United States)

    Xing, Wei; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

    2018-01-01

    This work studied the variation in spectral emissivity with growth of oxide layer at the different temperatures. For this reason, we measured the normal spectral emissivity during the growth of oxide layer on the sample surface at a wavelength of 1.5 μm over a temperature range 800-1100 K. In the experiment, the temperature was measured by the two thermocouples, which were symmetrically welded onto the front surface of specimens. The average of their readings was regarded as the true temperature. The detector should be perpendicular to the specimen surface as accurately as possible. The variation in spectral emissivity with growth of oxide layer was evaluated at a certain temperature. Altogether 11 emissivity models were evaluated. The conclusion was gained that the more the number of parameters used in the models was, the better the fitting accuracy became. On the whole, all the PEE models, the four-parameter LEE model and the five-parameter PFE, PLE and LEE models could be employed to well fit this kind of variation. The variation in spectral emissivity with temperature was determined at a certain thickness of oxide film. Almost all the models studied in this paper could be used to accurately evaluate this variation. The approximate models of spectral emissivity as a function of temperature and oxide-layer thickness were proposed. The strong oscillations of spectral emissivity were observed, which were affirmed to arise from the interference effect between the two radiations stemming from the oxide layer and from the substrate. The uncertainties in the temperature of steel 430 generated only by the surface oxidization were approximately 4.1-10.7 K in this experiment.

  8. Comparison of three ice cloud optical schemes in climate simulations with community atmospheric model version 5

    Science.gov (United States)

    Zhao, Wenjie; Peng, Yiran; Wang, Bin; Yi, Bingqi; Lin, Yanluan; Li, Jiangnan

    2018-05-01

    A newly implemented Baum-Yang scheme for simulating ice cloud optical properties is compared with existing schemes (Mitchell and Fu schemes) in a standalone radiative transfer model and in the global climate model (GCM) Community Atmospheric Model Version 5 (CAM5). This study systematically analyzes the effect of different ice cloud optical schemes on global radiation and climate by a series of simulations with a simplified standalone radiative transfer model, atmospheric GCM CAM5, and a comprehensive coupled climate model. Results from the standalone radiative model show that Baum-Yang scheme yields generally weaker effects of ice cloud on temperature profiles both in shortwave and longwave spectrum. CAM5 simulations indicate that Baum-Yang scheme in place of Mitchell/Fu scheme tends to cool the upper atmosphere and strengthen the thermodynamic instability in low- and mid-latitudes, which could intensify the Hadley circulation and dehydrate the subtropics. When CAM5 is coupled with a slab ocean model to include simplified air-sea interaction, reduced downward longwave flux to surface in Baum-Yang scheme mitigates ice-albedo feedback in the Arctic as well as water vapor and cloud feedbacks in low- and mid-latitudes, resulting in an overall temperature decrease by 3.0/1.4 °C globally compared with Mitchell/Fu schemes. Radiative effect and climate feedback of the three ice cloud optical schemes documented in this study can be referred for future improvements on ice cloud simulation in CAM5.

  9. The chemical energy unit partial oxidation reactor operation simulation modeling

    Science.gov (United States)

    Mrakin, A. N.; Selivanov, A. A.; Batrakov, P. A.; Sotnikov, D. G.

    2018-01-01

    The chemical energy unit scheme for synthesis gas, electric and heat energy production which is possible to be used both for the chemical industry on-site facilities and under field conditions is represented in the paper. The partial oxidation reactor gasification process mathematical model is described and reaction products composition and temperature determining algorithm flow diagram is shown. The developed software product verification showed good convergence of the experimental values and calculations according to the other programmes: the temperature determining relative discrepancy amounted from 4 to 5 %, while the absolute composition discrepancy ranged from 1 to 3%. The synthesis gas composition was found out practically not to depend on the supplied into the partial oxidation reactor (POR) water vapour enthalpy and compressor air pressure increase ratio. Moreover, air consumption coefficient α increase from 0.7 to 0.9 was found out to decrease synthesis gas target components (carbon and hydrogen oxides) specific yield by nearly 2 times and synthesis gas target components required ratio was revealed to be seen in the water vapour specific consumption area (from 5 to 6 kg/kg of fuel).

  10. Implementation of methane cycling for deep time, global warming simulations with the DCESS Earth System Model (Version 1.2)

    DEFF Research Database (Denmark)

    Shaffer, Gary; Villanueva, Esteban Fernández; Rondanelli, Roberto

    2017-01-01

    Geological records reveal a number of ancient, large and rapid negative excursions of carbon-13 isotope. Such excursions can only be explained by massive injections of depleted carbon to the Earth System over a short duration. These injections may have forced strong global warming events, sometimes....... With this improved DCESS model version and paleo-reconstructions, we are now better armed to gauge the amounts, types, time scales and locations of methane injections driving specific, observed deep time, global warming events....

  11. Simplified modeling of simultaneous reaction kinetics of carbon oxidation and nitrification in biofilm processes

    Energy Technology Data Exchange (ETDEWEB)

    Tsuneda, S.; Auresenia, J.; Hibiya, K.; Hirata, A. [Waseda University, Department of Chemical Engineering, 3-4-1 Ohkubo, Shinjuku-ku, Tokyo 169-8555 (Japan)

    2004-06-01

    Batch experiments with varying initial substrate concentrations and biomass volumes were performed in a three-phase fluidized bed biofilm reactor treating simulated domestic wastewater to study the simultaneous carbon oxidation and nitrification in the biofilm process. A simplified mass balance equation for the biofilm was proposed and five different kinetic rate equations were used to match the actual data. The kinetic parameters were obtained by nonlinear regression analysis on a set of two differential equations representing the simultaneous carbon oxidation and nitrification. The competitive inhibition model incorporating the effects of total organic carbon (TOC) concentrations on nitrification rates was the best-suited model based on the average r{sup 2}. In this model, oxygen concentration and its affinity constants were not included. Instead, it was assumed that the rate of carbon oxidation is independent of the NH{sub 4}{sup +}-N, while nitrification is affected by TOC. The number of parameters was successfully minimized without reducing its ability to accurately predict the bulk concentration time course, which would reduce computational complexity and possibly enhance the availability for an actual wastewater treatment process. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  12. NMR relaxation induced by iron oxide particles: testing theoretical models.

    Science.gov (United States)

    Gossuin, Y; Orlando, T; Basini, M; Henrard, D; Lascialfari, A; Mattea, C; Stapf, S; Vuong, Q L

    2016-04-15

    Superparamagnetic iron oxide particles find their main application as contrast agents for cellular and molecular magnetic resonance imaging. The contrast they bring is due to the shortening of the transverse relaxation time T 2 of water protons. In order to understand their influence on proton relaxation, different theoretical relaxation models have been developed, each of them presenting a certain validity domain, which depends on the particle characteristics and proton dynamics. The validation of these models is crucial since they allow for predicting the ideal particle characteristics for obtaining the best contrast but also because the fitting of T 1 experimental data by the theory constitutes an interesting tool for the characterization of the nanoparticles. In this work, T 2 of suspensions of iron oxide particles in different solvents and at different temperatures, corresponding to different proton diffusion properties, were measured and were compared to the three main theoretical models (the motional averaging regime, the static dephasing regime, and the partial refocusing model) with good qualitative agreement. However, a real quantitative agreement was not observed, probably because of the complexity of these nanoparticulate systems. The Roch theory, developed in the motional averaging regime (MAR), was also successfully used to fit T 1 nuclear magnetic relaxation dispersion (NMRD) profiles, even outside the MAR validity range, and provided a good estimate of the particle size. On the other hand, the simultaneous fitting of T 1 and T 2 NMRD profiles by the theory was impossible, and this occurrence constitutes a clear limitation of the Roch model. Finally, the theory was shown to satisfactorily fit the deuterium T 1 NMRD profile of superparamagnetic particle suspensions in heavy water.

  13. Insight into nitrous oxide production processes in the western North Pacific based on a marine ecosystem isotopomer model

    Science.gov (United States)

    Yoshikawa, C.; Sasai, Y.; Wakita, M.; Honda, M. C.; Fujiki, T.; Harada, N.; Makabe, A.; Matsushima, S.; Toyoda, S.; Yoshida, N.; Ogawa, N. O.; Suga, H.; Ohkouchi, N.

    2016-02-01

    Based on the observed inverse relationship between the dissolved oxygen and N2O concentrations in the ocean, previous models have indirectly predicted marine N2O emissions from the apparent oxygen utilization (AOU), In this study, a marine ecosystem model that incorporates nitrous oxide (N2O) production processes (i.e., ammonium oxidation during nitrification and nitrite reduction during nitrifier denitrification) was newly developed to estimate the sea-air N2O flux and to quantify N2O production processes. Site preference of 15N (SP) in N2O isotopomers (14N15N16O and 15N14N16O) and the average nitrogen isotope ratio (δ15N) were added to the model because they are useful tracers to distinguish between ammonium oxidation and nitrite reduction. This model was applied to two contrasting time series sites, a subarctic station (K2) and a subtropical station (S1) in the western North Pacific. The model was validated with observed nitrogen concentration and nitrogen isotopomer datasets, and successfully simulated the higher N2O concentrations, higher δ15N values, and higher site preference values for N2O at K2 compared with S1. The annual mean N2O emissions were estimated to be 34 mg N m-2 yr-1 at K2 and 2 mg N m-2 yr-1 at S1. Using this model, we conducted three case studies: 1) estimating the ratio of in-situ biological N2O production to nitrate (NO3-) production during nitrification, 2) estimating the ratio of N2O production by ammonium oxidation to that by nitrite reduction, and 3) estimating the ratio of AOA ammonium oxidation to AOB ammonium oxidation. The results of case studies estimated the ratios of in situ biological N2O production to nitrate production during nitrification to be 0.22% at K2 and 0.06% at S1. It is also suggested that N2O was mainly produced via ammonium oxidation at K2 but was produced via both ammonium oxidation and nitrite reduction at S1. It is also revealed that 80% of the ammonium oxidation at K2 was caused by archaea in the subsurface

  14. Integrated Reliability and Risk Analysis System (IRRAS), Version 2.5: Reference manual

    International Nuclear Information System (INIS)

    Russell, K.D.; McKay, M.K.; Sattison, M.B.; Skinner, N.L.; Wood, S.T.; Rasmuson, D.M.

    1991-03-01

    The Integrated Reliability and Risk Analysis System (IRRAS) is a state-of-the-art, microcomputer-based probabilistic risk assessment (PRA) model development and analysis tool to address key nuclear plant safety issues. IRRAS is an integrated software tool that gives the user the ability to create and analyze fault trees and accident sequences using a microcomputer. This program provides functions that range from graphical fault tree construction to cut set generation and quantification. Version 1.0 of the IRRAS program was released in February of 1987. Since that time, many user comments and enhancements have been incorporated into the program providing a much more powerful and user-friendly system. This version has been designated IRRAS 2.5 and is the subject of this Reference Manual. Version 2.5 of IRRAS provides the same capabilities as Version 1.0 and adds a relational data base facility for managing the data, improved functionality, and improved algorithm performance. 7 refs., 348 figs

  15. DOE-2 supplement: Version 2.1E

    Energy Technology Data Exchange (ETDEWEB)

    Winkelmann, F.C.; Birdsall, B.E.; Buhl, W.F.; Ellington, K.L.; Erdem, A.E. [Lawrence Berkeley Lab., CA (United States); Hirsch, J.J.; Gates, S. [Hirsch (James J.) and Associates, Camarillo, CA (United States)

    1993-11-01

    This publication updates the DOE-2 Supplement form version 2.1D to version to 2.1E. It contains detailed discussions and instructions for using the features and enhancements introduced into the 2.1B, 2.1C, 2.1D, and 2.1E versions of the program. The building description section contains information on input functions in loads and systems, hourly report frequencies, saving files of hourly output for post processing, sharing hourly report data among program modules, the metric option, and input macros and general library features. The loads section contains information on sunspaces, sunspace modeling, window management and solar radiation, daylighting, trombe walls, fixed shades, fins and overhangs, shade schedules, self shades, heat distribution from lights, the Sherman-Grimsrud infiltrations method. terrain and height modification to wind speed, floor multipliers and interior wall types, improved exterior infrared radiation loss calculation, improved outside air film conductance calculation, window library, window frames, and switchable glazing. The systems section contains information on energy end use and meters, powered induction units, a packaged variable volume -- variable temperature system, a residential variable volume -- variable temperature system, air source heat pump enhancements, water loop heat pump enhancements, variable speed electric heat pump, gas heat pumps, hot water heaters, evaporative cooling, total gas solid-desiccant systems, add on desiccant cooling, water cooled condensers, evaporative precoolers outside air economizer control, optimum fan start, heat recovery from refrigerated case work, night ventilation, baseboard heating, moisture balance calculations, a residential natural ventilation algorithm, improved cooling coil model, system sizing and independent cooling and heating sizing ratios. The plant section contains information on energy meters, gas fired absorption chillers, engine driven compressor chillers, and ice energy storage.

  16. Implementation of methane cycling for deep-time global warming simulations with the DCESS Earth system model (version 1.2)

    Science.gov (United States)

    Shaffer, Gary; Fernández Villanueva, Esteban; Rondanelli, Roberto; Olaf Pepke Pedersen, Jens; Malskær Olsen, Steffen; Huber, Matthew

    2017-11-01

    Geological records reveal a number of ancient, large and rapid negative excursions of the carbon-13 isotope. Such excursions can only be explained by massive injections of depleted carbon to the Earth system over a short duration. These injections may have forced strong global warming events, sometimes accompanied by mass extinctions such as the Triassic-Jurassic and end-Permian extinctions 201 and 252 million years ago, respectively. In many cases, evidence points to methane as the dominant form of injected carbon, whether as thermogenic methane formed by magma intrusions through overlying carbon-rich sediment or from warming-induced dissociation of methane hydrate, a solid compound of methane and water found in ocean sediments. As a consequence of the ubiquity and importance of methane in major Earth events, Earth system models for addressing such events should include a comprehensive treatment of methane cycling but such a treatment has often been lacking. Here we implement methane cycling in the Danish Center for Earth System Science (DCESS) model, a simplified but well-tested Earth system model of intermediate complexity. We use a generic methane input function that allows variation in input type, size, timescale and ocean-atmosphere partition. To be able to treat such massive inputs more correctly, we extend the model to deal with ocean suboxic/anoxic conditions and with radiative forcing and methane lifetimes appropriate for high atmospheric methane concentrations. With this new model version, we carried out an extensive set of simulations for methane inputs of various sizes, timescales and ocean-atmosphere partitions to probe model behavior. We find that larger methane inputs over shorter timescales with more methane dissolving in the ocean lead to ever-increasing ocean anoxia with consequences for ocean life and global carbon cycling. Greater methane input directly to the atmosphere leads to more warming and, for example, greater carbon dioxide release

  17. Implementation of methane cycling for deep-time global warming simulations with the DCESS Earth system model (version 1.2

    Directory of Open Access Journals (Sweden)

    G. Shaffer

    2017-11-01

    Full Text Available Geological records reveal a number of ancient, large and rapid negative excursions of the carbon-13 isotope. Such excursions can only be explained by massive injections of depleted carbon to the Earth system over a short duration. These injections may have forced strong global warming events, sometimes accompanied by mass extinctions such as the Triassic-Jurassic and end-Permian extinctions 201 and 252 million years ago, respectively. In many cases, evidence points to methane as the dominant form of injected carbon, whether as thermogenic methane formed by magma intrusions through overlying carbon-rich sediment or from warming-induced dissociation of methane hydrate, a solid compound of methane and water found in ocean sediments. As a consequence of the ubiquity and importance of methane in major Earth events, Earth system models for addressing such events should include a comprehensive treatment of methane cycling but such a treatment has often been lacking. Here we implement methane cycling in the Danish Center for Earth System Science (DCESS model, a simplified but well-tested Earth system model of intermediate complexity. We use a generic methane input function that allows variation in input type, size, timescale and ocean–atmosphere partition. To be able to treat such massive inputs more correctly, we extend the model to deal with ocean suboxic/anoxic conditions and with radiative forcing and methane lifetimes appropriate for high atmospheric methane concentrations. With this new model version, we carried out an extensive set of simulations for methane inputs of various sizes, timescales and ocean–atmosphere partitions to probe model behavior. We find that larger methane inputs over shorter timescales with more methane dissolving in the ocean lead to ever-increasing ocean anoxia with consequences for ocean life and global carbon cycling. Greater methane input directly to the atmosphere leads to more warming and, for example

  18. Equivalent distributed capacitance model of oxide traps on frequency dispersion of C – V curve for MOS capacitors

    International Nuclear Information System (INIS)

    Lu Han-Han; Xu Jing-Ping; Liu Lu; Lai Pui-To; Tang Wing-Man

    2016-01-01

    An equivalent distributed capacitance model is established by considering only the gate oxide-trap capacitance to explain the frequency dispersion in the C – V curve of MOS capacitors measured for a frequency range from 1 kHz to 1 MHz. The proposed model is based on the Fermi–Dirac statistics and the charging/discharging effects of the oxide traps induced by a small ac signal. The validity of the proposed model is confirmed by the good agreement between the simulated results and experimental data. Simulations indicate that the capacitance dispersion of an MOS capacitor under accumulation and near flatband is mainly caused by traps adjacent to the oxide/semiconductor interface, with negligible effects from the traps far from the interface, and the relevant distance from the interface at which the traps can still contribute to the gate capacitance is also discussed. In addition, by excluding the negligible effect of oxide-trap conductance, the model avoids the use of imaginary numbers and complex calculations, and thus is simple and intuitive. (paper)

  19. Cleavage of olefinic double bonds by mediated anodic oxidation

    International Nuclear Information System (INIS)

    Baeumer, U.-St.; Schaefer, H.J.

    2003-01-01

    Seven alkenes, e.g. 1-decene, methyl oleate, cyclododecene, norbornene, are cleaved by indirect anodic oxidation with IO 4 - /RuCl 3 as mediator to carboxylic acids. The best performance was achieved with two alternative ex cell-methods. Periodate is regenerated from iodate in a divided cell at a PbO 2 /Ti-anode. In the chemical reactor alkene and the produced carboxylic acid are immobilized in a chromatography column on Chromosorb W and oxidized with IO 4 - /RuO 4 in CH 3 CN/water. In the alternative version the alkene is oxidized in an emulsion generated by sonication and the organic phase is retained in the reactor by a separator. Acids and diacids are obtained in 61-91% chemical yield and good current yields. The amount of consumed periodate can be reduced to less than 5% of the amount needed for the chemical oxidation. The mediated anodic cleavage of alkenes is altogether an interesting alternative to ozonolysis

  20. The Systems Biology Markup Language (SBML): Language Specification for Level 3 Version 2 Core.

    Science.gov (United States)

    Hucka, Michael; Bergmann, Frank T; Dräger, Andreas; Hoops, Stefan; Keating, Sarah M; Le Novère, Nicolas; Myers, Chris J; Olivier, Brett G; Sahle, Sven; Schaff, James C; Smith, Lucian P; Waltemath, Dagmar; Wilkinson, Darren J

    2018-03-09

    Computational models can help researchers to interpret data, understand biological functions, and make quantitative predictions. The Systems Biology Markup Language (SBML) is a file format for representing computational models in a declarative form that different software systems can exchange. SBML is oriented towards describing biological processes of the sort common in research on a number of topics, including metabolic pathways, cell signaling pathways, and many others. By supporting SBML as an input/output format, different tools can all operate on an identical representation of a model, removing opportunities for translation errors and assuring a common starting point for analyses and simulations. This document provides the specification for Version 2 of SBML Level 3 Core. The specification defines the data structures prescribed by SBML, their encoding in XML (the eXtensible Markup Language), validation rules that determine the validity of an SBML document, and examples of models in SBML form. The design of Version 2 differs from Version 1 principally in allowing new MathML constructs, making more child elements optional, and adding identifiers to all SBML elements instead of only selected elements. Other materials and software are available from the SBML project website at http://sbml.org/.