Continuous-flow processes for the catalytic partial hydrogenation reaction of alkynes

Directory of Open Access Journals (Sweden)

Carmen Moreno-Marrodan

2017-04-01

Full Text Available The catalytic partial hydrogenation of substituted alkynes to alkenes is a process of high importance in the manufacture of several market chemicals. The present paper shortly reviews the heterogeneous catalytic systems engineered for this reaction under continuous flow and in the liquid phase. The main contributions appeared in the literature from 1997 up to August 2016 are discussed in terms of reactor design. A comparison with batch and industrial processes is provided whenever possible.

A Reaction Database for Small Molecule Pharmaceutical Processes Integrated with Process Information

Directory of Open Access Journals (Sweden)

Emmanouil Papadakis

2017-10-01

Full Text Available This article describes the development of a reaction database with the objective to collect data for multiphase reactions involved in small molecule pharmaceutical processes with a search engine to retrieve necessary data in investigations of reaction-separation schemes, such as the role of organic solvents in reaction performance improvement. The focus of this reaction database is to provide a data rich environment with process information available to assist during the early stage synthesis of pharmaceutical products. The database is structured in terms of reaction classification of reaction types; compounds participating in the reaction; use of organic solvents and their function; information for single step and multistep reactions; target products; reaction conditions and reaction data. Information for reactor scale-up together with information for the separation and other relevant information for each reaction and reference are also available in the database. Additionally, the retrieved information obtained from the database can be evaluated in terms of sustainability using well-known “green” metrics published in the scientific literature. The application of the database is illustrated through the synthesis of ibuprofen, for which data on different reaction pathways have been retrieved from the database and compared using “green” chemistry metrics.

An Efficient Experimental Design Strategy for Modelling and Characterization of Processes

DEFF Research Database (Denmark)

Tajsoleiman, Tannaz; Semenova, Daria; Oliveira Fernandes, Ana Carolina

2017-01-01

Designing robust, efficient and economic processes is a main challenge for the biotech industries. To achieve a well-designed bioprocess, understanding the ongoing phenomena and the involved reaction kinetics is crucial. By development of advanced miniaturized reactors, a promising opportunity ar...

Accurate numerical simulation of reaction-diffusion processes for heavy oil recovery

Energy Technology Data Exchange (ETDEWEB)

Govind, P.A.; Srinivasan, S. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Texas Univ., Austin, TX (United States)

2008-10-15

This study evaluated a reaction-diffusion simulation tool designed to analyze the displacement of carbon dioxide (CO{sub 2}) in a simultaneous injection of carbon dioxide and elemental sodium in a heavy oil reservoir. Sodium was used due to the exothermic reaction of sodium with in situ that occurs when heat is used to reduce oil viscosity. The process also results in the formation of sodium hydroxide that reduces interfacial tension at the bitumen interface. A commercial simulation tool was used to model the sodium transport mechanism to the reaction interface through diffusion as well as the reaction zone's subsequent displacement. The aim of the study was to verify if the in situ reaction was able to generate sufficient heat to reduce oil viscosity and improve the displacement of the heavy oil. The study also assessed the accuracy of the reaction front simulation tool, in which an alternate method was used to model the propagation front as a moving heat source. The sensitivity of the simulation results were then evaluated in relation to the diffusion coefficient in order to understand the scaling characteristics of the reaction-diffusion zone. A pore-scale simulation was then up-scaled to grid blocks. Results of the study showed that when sodium suspended in liquid CO{sub 2} is injected into reservoirs, it diffuses through the carrier phase and interacts with water. A random walk diffusion algorithm with reactive dissipation was implemented to more accurately characterize reaction and diffusion processes. It was concluded that the algorithm modelled physical dispersion while neglecting the effect of numerical dispersion. 10 refs., 3 tabs., 24 figs.

Solar fuels and chemicals system design study (ammonia/nitric acid production process). Volume 2. Conceptual design. Final report

Energy Technology Data Exchange (ETDEWEB)

1986-06-01

As part of the Solar Central Receiver Fuels and Chemicals Program, Foster Wheeler Solar Development Corporation (FWSDC), under contract to Sandia National Laboratories-Livermore (SNLL), developed a conceptual design of a facility to produce ammonia and nitric acid using solar energy as the principal external source of process heat. In the selected process, ammonia is produced in an endothermic reaction within a steam methane (natural gas) reformer. The heat of reaction is provided by molten carbonate salt heated by both a solar central receiver and an exothermic ammonia-fired heater. After absorption by water, the product of the latter reaction is nitric acid.

A Reaction Database for Small Molecule Pharmaceutical Processes Integrated with Process Information

DEFF Research Database (Denmark)

Papadakis, Emmanouil; Anantpinijwatna, Amata; Woodley, John

2017-01-01

This article describes the development of a reaction database with the objective to collect data for multiphase reactions involved in small molecule pharmaceutical processes with a search engine to retrieve necessary data in investigations of reaction-separation schemes, such as the role of organic......; compounds participating in the reaction; use of organic solvents and their function; information for single step and multistep reactions; target products; reaction conditions and reaction data. Information for reactor scale-up together with information for the separation and other relevant information...

Application of Decomposition Methodology to Solve Integrated Process Design and Controller Design Problems for Reactor-Separator-Recycle System

DEFF Research Database (Denmark)

Abd.Hamid, Mohd-Kamaruddin; Sin, Gürkan; Gani, Rafiqul

2010-01-01

This paper presents the integrated process design and controller design (IPDC) for a reactor-separator-recycle (RSR) system and evaluates a decomposition methodology to solve the IPDC problem. Accordingly, the IPDC problem is solved by decomposing it into four hierarchical stages: (i) pre...... the design of a RSR system involving consecutive reactions, A B -> C and shown to provide effective solutions that satisfy design, control and cost criteria. The advantage of the proposed methodology is that it is systematic, makes use of thermodynamic-process knowledge and provides valuable insights......-analysis, (ii) design analysis, (iii) controller design analysis, and (iv) final selection and verification. The methodology makes use of thermodynamic-process insights and the reverse design approach to arrive at the final process-controller design decisions. The developed methodology is illustrated through...

Fragmentation processes in nuclear reactions

International Nuclear Information System (INIS)

Legrain, R.

1984-08-01

Projectile and nuclear fragmentation are defined and processes referred to are recalled. The two different aspects of fragmentation are considered but the emphasis is also put on heavy ion induced reactions. The preliminary results of an experiment performed at GANIL to study peripheral heavy ions induced reactions at intermediate energy are presented. The results of this experiment will illustrate the characteristics of projectile fragmentation and this will also give the opportunity to study projectile fragmentation in the transition region. Then nuclear fragmentation is considered which is associated with more central collisions in the case of heavy ion induced reactions. This aspect of fragmentation is also ilustrated with two heavy ion experiments in which fragments emitted at large angle have been observed

High-precision (p,t) reactions to determine reaction rates of explosive stellar processes

NARCIS (Netherlands)

Matić, Andrija

2007-01-01

The aim of my study was to investigate the nuclear structure of 22Mg and 26Si. These two nuclei play a significant role in stellar reaction processes at high temperatures. On base of the obtained nuclear structure we calculated the stellar reaction rates for the following reactions: 18Ne(α,p)21Na,

Stereodynamics: From elementary processes to macroscopic chemical reactions

Energy Technology Data Exchange (ETDEWEB)

Kasai, Toshio [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Che, Dock-Chil [Graduate School of Science, Department of Chemistry, Osaka University, Toyonaka, 560-0043 Osaka (Japan); Tsai, Po-Yu [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Department of Chemistry, National Chung Hsing University, Taichung 402, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Lin, King-Chuen [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan (China); Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Palazzetti, Federico [Scuola Normale Superiore, Pisa (Italy); Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Aquilanti, Vincenzo [Dipartimento di Chimica Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, Roma (Italy); Instituto de Fisica, Universidade Federal da Bahia, Salvador (Brazil)

2015-12-31

This paper aims at discussing new facets on stereodynamical behaviors in chemical reactions, i.e. the effects of molecular orientation and alignment on reactive processes. Further topics on macroscopic processes involving deviations from Arrhenius behavior in the temperature dependence of chemical reactions and chirality effects in collisions are also discussed.

Workshop on Critical Issues in Microgravity Fluids, Transport, and Reaction Processes in Advanced Human Support Technology

Science.gov (United States)

Chiaramonte, Francis P.; Joshi, Jitendra A.

2004-01-01

This workshop was designed to bring the experts from the Advanced Human Support Technologies communities together to identify the most pressing and fruitful areas of research where success hinges on collaborative research between the two communities. Thus an effort was made to bring together experts in both advanced human support technologies and microgravity fluids, transport and reaction processes. Expertise was drawn from academia, national laboratories, and the federal government. The intent was to bring about a thorough exchange of ideas and develop recommendations to address the significant open design and operation issues for human support systems that are affected by fluid physics, transport and reaction processes. This report provides a summary of key discussions, findings, and recommendations.

Software Sensors Design for a Class of Aerobic Fermentation Processes

Directory of Open Access Journals (Sweden)

Trayana Patarinska

2010-08-01

Full Text Available The problem of on-line state and parameter estimation (software sensors design of a class of aerobic fermentation processes for metabolite product formation is considered. The class is characterized by: two limiting substrates one of which, growth factor, is practically depleted during the biomass growth where the product formation is negligible; corresponding general reaction scheme – a qualitative description of the main metabolic reactions between the main components in the liquid phase (biomass, substrates, product and dissolved oxygen concentrations. Two separate sensors – state and parameter estimators – are designed. The state estimator is developed based on knowledge of only one on-line measurable variable, the dissolved oxygen, and the yield factors assumed as constant coefficients. Parameter estimator of the specific reaction rates is developed under the assumption that all the process variables are known on-line by measurements or estimates. The yield factors are estimated also as non-stationary parameters, thus creating a basis for comparison with the specified constant values used for the state estimator design. As a case study industrial Lysine fermentation in fed-batch mode of operation is considered. Simulation investigations under different operating conditions are done in order to highlight the performances of the proposed sensors.

Long life reaction control system design

Science.gov (United States)

Fanciullo, Thomas J.; Judd, Craig

1993-02-01

Future single stage to orbit systems will utilize oxygen/hydrogen propellants in their main propulsion means due to the propellant's high energy content and environmental acceptability. Operational effectiveness studies and life cycle cost studies have indicated that minimizing the number of different commodities on a given vehicle not only reduces cost, but reduces the ground span times in both the pre- and postflight operations. Therefore, oxygen and hydrogen should be used for the reaction controls systems, eliminating the need to deal with toxic or corrosive fluids. When the hydrogen scramjet powered NASP design development began in 1985, new system design studies considered overall integration of subsystems; in the context of that approach, O2/H2 reaction controls system were more than competitive with storable propellant systems and had the additional benefits of lower life cycle cost, rapid turnaround times, and O2 and H2 commodities for use throughout the vehicle. Similar benefits were derived in rocket-powered SSTO vehicles.

Electronic dissipation processes during chemical reactions on surfaces

CERN Document Server

Stella, Kevin

2012-01-01

Hauptbeschreibung Every day in our life is larded with a huge number of chemical reactions on surfaces. Some reactions occur immediately, for others an activation energy has to be supplied. Thus it happens that though a reaction should thermodynamically run off, it is kinetically hindered. Meaning the partners react only to the thermodynamically more stable product state within a mentionable time if the activation energy of the reaction is supplied. With the help of catalysts the activation energy of a reaction can be lowered. Such catalytic processes on surfaces are widely used in industry. A

Design and synthesis of fused polycycles via Diels–Alder reaction and ring-rearrangement metathesis as key steps

Directory of Open Access Journals (Sweden)

Sambasivarao Kotha

2015-07-01

Full Text Available Atom efficient processes such as the Diels–Alder reaction (DA and the ring-rearrangement metathesis (RRM have been used to design new polycycles. In this regard, ruthenium alkylidene catalysts are effective in realizing the RRM of bis-norbornene derivatives prepared by DA reaction and Grignard addition. Here, fused polycycles are assembled which are difficult to produce by conventional synthetic routes.

Design and synthesis of fused polycycles via Diels-Alder reaction and ring-rearrangement metathesis as key steps.

Science.gov (United States)

Kotha, Sambasivarao; Ravikumar, Ongolu

2015-01-01

Atom efficient processes such as the Diels-Alder reaction (DA) and the ring-rearrangement metathesis (RRM) have been used to design new polycycles. In this regard, ruthenium alkylidene catalysts are effective in realizing the RRM of bis-norbornene derivatives prepared by DA reaction and Grignard addition. Here, fused polycycles are assembled which are difficult to produce by conventional synthetic routes.

Reaction kinetics, reaction products and compressive strength of ternary activators activated slag designed by Taguchi method

NARCIS (Netherlands)

Yuan, B.; Yu, Q.L.; Brouwers, H.J.H.

2015-01-01

This study investigates the reaction kinetics, the reaction products and the compressive strength of slag activated by ternary activators, namely waterglass, sodium hydroxide and sodium carbonate. Nine mixtures are designed by the Taguchi method considering the factors of sodium carbonate content

Introduction to chemical reaction engineering

International Nuclear Information System (INIS)

Kim, Yeong Geol

1990-10-01

This deals with chemical reaction engineering with thirteen chapters. The contents of this book are introduction on reaction engineering, chemical kinetics, thermodynamics and chemical reaction, abnormal reactor, non-isothermal reactor, nonideal reactor, catalysis in nonuniform system, diffusion and reaction in porosity catalyst, design catalyst heterogeneous reactor in solid bed, a high molecule polymerization, bio reaction engineering, reaction engineering in material process, control multi-variable reactor process using digital computer.

Sorption Enhanced Reaction Process (SERP) for production of hydrogen

Energy Technology Data Exchange (ETDEWEB)

Anand, M.; Hufton, J.; Mayorga, S. [Air Products and Chemicals, Inc., Allentown, PA (United States)] [and others

1996-10-01

Sorption Enhanced Reaction Process (SERP) is a novel process that is being developed for the production of lower cost hydrogen by steam-methane reforming (SMR). In this process the reaction of methane with steam is carried out in the presence of an admixture of a catalyst and a selective adsorbent for carbon dioxide. The key consequences of SERP are: (i) reformation reaction is carried out at a significantly lower temperature (300-500{degrees}C) than that in a conventional SMR reactor (800-1100{degrees}C), while achieving the same conversion of methane to hydrogen, (ii) the product hydrogen is obtained at reactor pressure (200-400 psig) and at 98+% purity directly from the reactor (compared to only 70-75% H{sub 2} from conventional SMR reactor), (iii) downstream hydrogen purification step is either eliminated or significantly reduced in size. The first phase of the program has focused on the development of a sorbent for CO{sub 2} which has (a) reversible CO{sub 2} capacity >0.3 mmol/g at low partial pressures of CO{sub 2} (0.1 - 1.0 atm) in the presence of excess steam (pH{sub 2}O/pCO{sub 2}>20) at 400-500{degrees}C and (b) fast sorption-desorption kinetics for CO{sub 2}, at 400-500{degrees}C. Several families of supported sorbents have been identified that meet the target CO{sub 2} capacity. A few of these sorbents have been tested under repeated sorption/desorption cycles and extended exposure to high pressure steam at 400-500{degrees}C. One sorbent has been scaled up to larger quantities (2-3 kg) and tested in the laboratory process equipment for sorption and desorption kinetics of CO{sub 2}. The CO{sub 2}, sorption and desorption kinetics are desirably fast. This was a critical path item for the first phase of the program and now has been successfully demonstrated. A reactor has been designed that will allow nearly isothermal operation for SERP-SMR. This reactor was integrated into an overall process flow diagram for the SERP-SMR process.

Surface photo reaction processes using synchrotron radiation; Hoshako reiki ni yoru hyomenko hanno process

Energy Technology Data Exchange (ETDEWEB)

Imaizumi, Y. [Tohoku University, Sendai (Japan). Institute for Materials Research; Yoshigoe, A. [Toyohashi University of Technology, Aichi (Japan); Urisu, T. [Toyohashi University of Technology, Aichi (Japan). Institute for Molecular Science

1997-08-20

This paper introduces the surface photo reaction processes using synchrotron radiation, and its application. A synchrotron radiation process using soft X-rays contained in electron synchrotron radiated light as an excited light source has a possibility of high-resolution processing because of its short wave length. The radiated light can excite efficiently the electronic state of a substance, and can induce a variety of photochemical reactions. In addition, it can excite inner shell electrons efficiently. In the aspect of its application, it has been found that, if radiated light is irradiated on surfaces of solids under fluorine-based reaction gas or Cl2, the surfaces can be etched. This technology is utilized practically. With regard to radiated light excited CVD process, it may be said that anything that can be deposited by the ordinary plasma CVD process can be deposited. Its application to epitaxial crystal growth may be said a nano processing application in thickness direction, such as forming an ultra-lattice structure, the application being subjected to expectation. In micromachine fabricating technologies, a possibility is searched on application of a photo reaction process of the radiated light. 5 refs., 6 figs.

Application of a computer-aided framework for the design of CO2 capture and utilization processes

DEFF Research Database (Denmark)

Frauzem, Rebecca; Woodley, John; Gani, Rafiqul

2017-01-01

Carbon dioxide capture and utilization is a vital element of carbon dioxide emission reduction to address global warming. An integrated, computer-aided framework has been developed to achieve this. This framework adopts a three-stage approach to sustainable process synthesis-design: (i) process...... synthesis, (ii) process design and (iii) innovative design. In the first stage, reaction path synthesis is used to determine the reactions and products that are considered in processing route selection and/or generation. Various scenarios are then considered for the superstructure optimization. The selected...... steps. Then, the superstructure optimization is performed on a network containing 13 likely products giving 30 feasible processing routes, considering different scenarios and objectives. Stages 2 and 3 have been applied to the optimal solution of the first scenario, which selects the production...

Development of wide area reaction system for Reel-to-Reel TFA-MOD process

International Nuclear Information System (INIS)

Nomoto, Sukeharu; Aoki, Yuji; Teranishi, Ryo; Sato, Akihiro; Izumi, Teruo; Shiohara, Yuh

2006-01-01

The previously developed numerical simulation method for the TFA-MOD process, which calculated the YBCO growth kinetics, gas element diffusion and gas flow, was applied to study the suitable gas flow mode for a multi-turning Reel-to-Reel tape conveyance system of a long YBCO coated conductors. The high YBCO production rate with uniform J c distribution among tape lines is desired in the system. It was found by the numerical simulation for the vertical gas flow onto the tape surface to realize the above demands even in a wider reaction area. We developed a new wide area reaction tube for the Reel-to-Reel TFA-MOD process according to the numerically designed gas flow configuration. The demand for the new tube was confirmed to be satisfied by experiments

Design Processes

DEFF Research Database (Denmark)

Ovesen, Nis

2009-01-01

Inspiration for most research and optimisations on design processes still seem to focus within the narrow field of the traditional design practise. The focus in this study turns to associated businesses of the design professions in order to learn from their development processes. Through interviews...... and emerging production methods....

Computer-Aided Sustainable Process Synthesis-Design and Analysis

DEFF Research Database (Denmark)

Kumar Tula, Anjan

-groups is that, the performance of the entire process can be evaluated from the contributions of the individual process-groups towards the selected flowsheet property (for example, energy consumed). The developed flowsheet property models include energy consumption, carbon footprint, product recovery, product......Process synthesis involves the investigation of chemical reactions needed to produce the desired product, selection of the separation techniques needed for downstream processing, as well as taking decisions on sequencing the involved separation operations. For an effective, efficient and flexible...... focuses on the development and application of a computer-aided framework for sustainable synthesis-design and analysis of process flowsheets by generating feasible alternatives covering the entire search space and includes analysis tools for sustainability, LCA and economics. The synthesis method is based...

Potential design modifications for the High Yield Lithium Injection Fusion Energy (HYLIFE) reaction chamber

International Nuclear Information System (INIS)

Pitts, J.H.; Hovingh, J.; Meier, W.R.; Monsler, M.J.; Powell, E.G.; Walker, P.E.

1979-01-01

Generation of electric power from inertial confinement fusion requires a reaction chamber. One promising type, the High Yield Lithium Injection Fusion Energy (HYLIFE) chamber, includes a falling array of liquid lithium jets. These jets act as: (1) a renewable first wall and blanket to shield metal components from x-ray and neutron exposure, (2) a tritium breeder to replace tritium burned during the fusion process, and (3) an absorber and transfer medium for fusion energy. Over 90% of the energy produced in the reaction chamber is absorbed in the lithium jet fall. Design aspects are included

Reaction time for processing visual stimulus in a computer-assisted rehabilitation environment.

Science.gov (United States)

Sanchez, Yerly; Pinzon, David; Zheng, Bin

2017-10-01

To examine the reaction time when human subjects process information presented in the visual channel under both a direct vision and a virtual rehabilitation environment when walking was performed. Visual stimulus included eight math problems displayed on the peripheral vision to seven healthy human subjects in a virtual rehabilitation training (computer-assisted rehabilitation environment (CAREN)) and a direct vision environment. Subjects were required to verbally report the results of these math calculations in a short period of time. Reaction time measured by Tobii Eye tracker and calculation accuracy were recorded and compared between the direct vision and virtual rehabilitation environment. Performance outcomes measured for both groups included reaction time, reading time, answering time and the verbal answer score. A significant difference between the groups was only found for the reaction time (p = .004). Participants had more difficulty recognizing the first equation of the virtual environment. Participants reaction time was faster in the direct vision environment. This reaction time delay should be kept in mind when designing skill training scenarios in virtual environments. This was a pilot project to a series of studies assessing cognition ability of stroke patients who are undertaking a rehabilitation program with a virtual training environment. Implications for rehabilitation Eye tracking is a reliable tool that can be employed in rehabilitation virtual environments. Reaction time changes between direct vision and virtual environment.

Process spectroscopy in microemulsions—setup and multi-spectral approach for reaction monitoring of a homogeneous hydroformylation process

Science.gov (United States)

Meyer, K.; Ruiken, J.-P.; Illner, M.; Paul, A.; Müller, D.; Esche, E.; Wozny, G.; Maiwald, M.

2017-03-01

Reaction monitoring in disperse systems, such as emulsions, is of significant technical importance in various disciplines like biotechnological engineering, chemical industry, food science, and a growing number other technical fields. These systems pose several challenges when it comes to process analytics, such as heterogeneity of mixtures, changes in optical behavior, and low optical activity. Concerning this, online nuclear magnetic resonance (NMR) spectroscopy is a powerful technique for process monitoring in complex reaction mixtures due to its unique direct comparison abilities, while at the same time being non-invasive and independent of optical properties of the sample. In this study the applicability of online-spectroscopic methods on the homogeneously catalyzed hydroformylation system of 1-dodecene to tridecanal is investigated, which is operated in a mini-plant scale at Technische Universität Berlin. The design of a laboratory setup for process-like calibration experiments is presented, including a 500 MHz online NMR spectrometer, a benchtop NMR device with 43 MHz proton frequency as well as two Raman probes and a flow cell assembly for an ultraviolet and visible light (UV/VIS) spectrometer. Results of high-resolution online NMR spectroscopy are shown and technical as well as process-specific problems observed during the measurements are discussed.

Supercritical water gasification of biomass for H2 production: process design.

Science.gov (United States)

Fiori, Luca; Valbusa, Michele; Castello, Daniele

2012-10-01

The supercritical water gasification (SCWG) of biomass for H(2) production is analyzed in terms of process development and energetic self-sustainability. The conceptual design of a plant is proposed and the SCWG process involving several substrates (glycerol, microalgae, sewage sludge, grape marc, phenol) is simulated by means of AspenPlus™. The influence of various parameters - biomass concentration and typology, reaction pressure and temperature - is analyzed. The process accounts for the possibility of exploiting the mechanical energy of compressed syngas (later burned to sustain the SCWG reaction) through expansion in turbines, while purified H(2) is fed to fuel cells. Results show that the SCWG reaction can be energetically self-sustained if minimum feed biomass concentrations of 15-25% are adopted. Interestingly, the H(2) yields are found to be maximal at similar feed concentrations. Finally, an energy balance is performed showing that the whole process could provide a net power of about 150 kW(e)/(1000 kg(feed)/h). Copyright © 2012 Elsevier Ltd. All rights reserved.

Process Analytical Technology (PAT): batch-to-batch reproducibility of fermentation processes by robust process operational design and control.

Science.gov (United States)

Gnoth, S; Jenzsch, M; Simutis, R; Lübbert, A

2007-10-31

The Process Analytical Technology (PAT) initiative of the FDA is a reaction on the increasing discrepancy between current possibilities in process supervision and control of pharmaceutical production processes and its current application in industrial manufacturing processes. With rigid approval practices based on standard operational procedures, adaptations of production reactors towards the state of the art were more or less inhibited for long years. Now PAT paves the way for continuous process and product improvements through improved process supervision based on knowledge-based data analysis, "Quality-by-Design"-concepts, and, finally, through feedback control. Examples of up-to-date implementations of this concept are presented. They are taken from one key group of processes in recombinant pharmaceutical protein manufacturing, the cultivations of genetically modified Escherichia coli bacteria.

Efficient biological process characterization by definitive-screening designs: the formaldehyde treatment of a therapeutic protein as a case study.

Science.gov (United States)

Erler, Axel; de Mas, Nuria; Ramsey, Philip; Henderson, Grant

2013-03-01

As part of the process-characterization campaign of a candidate vaccine product, a recently developed class of three-level designs-definitive-screening designs-was employed to select a quadratic model that describes the effect of six input process parameters, including protein concentration, formaldehyde-to-protein ratio, lysine concentration, reaction duration, pH, and reaction temperature, on a formylation protein-crosslinking reaction. This design requires only 17 experimental runs. The resulting model was then used to simulate 10,000 runs that account for the variability in the inputs expected on manufacturing scale. The extent of protein polymerization was predicted to be within specifications for all simulated runs, demonstrating the robustness of the unit operation for subsequent process validation and future commercial manufacturing.

ATOMIC-LEVEL IMAGING OF CO2 DISPOSAL AS A CARBONATE MINERAL: OPTIMIZING REACTION PROCESS DESIGN; A

International Nuclear Information System (INIS)

M.J. McKelvy; R. Sharma; A.V.G. Chizmeshya; H. Bearat; R.W. Carpenter

2001-01-01

Fossil fuels, especially coal, can support the energy demands of the world for centuries to come, if the environmental problems associated with CO(sub 2) emissions can be overcome. Permanent and safe methods for CO(sub 2) capture and disposal/storage need to be developed. Mineralization of stationary-source CO(sub 2) emissions as carbonates can provide such safe capture and long-term sequestration. Mg-rich lamellar-hydroxide based minerals (e.g., brucite and serpentine) offer a class of widely available, low-cost materials, with intriguing mineral carbonation potential. Carbonation of such materials inherently involves dehydroxylation, which can disrupt the material down to the atomic level. As such, controlled dehydroxylation, before and/or during carbonation, may provide an important parameter for enhancing carbonation reaction processes. Mg(OH)(sub 2) was chosen as the model material for investigating lamellar hydroxide mineral dehydroxylation/carbonation mechanisms due to (i) its structural and chemical simplicity, (ii) interest in Mg(OH)(sub 2) gas-solid carbonation as a potentially cost-effective CO(sub 2) mineral sequestration process component, and (iii) its structural and chemical similarity to other lamellar-hydroxide-based minerals (e.g., serpentine-based minerals) whose carbonation reaction processes are being explored due to their low-cost CO(sub 2) sequestration potential. Fundamental understanding of the mechanisms that govern dehydroxylation/carbonation processes is essential for minimizing the cost of any lamellar-hydroxide-based mineral carbonation sequestration process. This report covers the third year progress of this grant, as well as providing an integrated overview of the progress in years 1-3, as we have been granted a one-year no-cost extension to wrap up a few studies and publications to optimize project impact

ECO DESIGN IN DESIGN PROCESS

Directory of Open Access Journals (Sweden)

PRALEA Jeni

2014-05-01

Full Text Available Eco-design is a new domain, required by the new trends and existing concerns worldwide, generated by the necessity of adopting new design principles. New design principles require the designer to provide a friendly relationship between concept created, environment and consume. This "friendly" relationship should be valid both at present and in the future, generating new opportunities for product, product components or materials from which it was made. Awareness, by the designer, the importance of this new trend, permits the establishment of concepts that have as their objective the protection of present values and ensuring the legacy of future generations. Ecodesig, by its principles, is involved in the design process, from early stage, the stage of product design. Priority objective of the designers will consist in reducing the negative effects on the environment through the entire life cycle and after it is taken out of use. The main aspects of the eco-design will consider extending product exploitation, make better use of materials, reduction of emission of waste. The design process in the "eco"domein must be started by selecting the function of the concept, materials and technological processes, causing the shape of macro and micro geometric of the product through an analysis that involves optimizing and streamlining the product. This paper presents the design process of a cross-sports footwear concept, built on the basis of the principles of ecodesign

A COMBINED REACTION/PRODUCT RECOVERY PROCESS FOR THE CONTINUOUS PRODUCTION OF BIODIESEL

International Nuclear Information System (INIS)

Birdwell, J.F. Jr.; McFarlane, J.; Schuh, D.L.; Tsouris, C.; Day, J.N.; Hullette, J.N.

2009-01-01

Oak Ridge National Laboratory (ORNL) and Nu-Energie, LLC entered into a Cooperative Research And Development Agreement (CRADA) for the purpose of demonstrating and deploying a novel technology for the continuous synthesis and recovery of biodiesel from the transesterification of triglycerides. The focus of the work was the demonstration of a combination Couette reactor and centrifugal separator - an invention of ORNL researchers - that facilitates both product synthesis and recovery from reaction byproducts in the same apparatus. At present, transesterification of triglycerides to produce biodiesel is performed in batch-type reactors with an excess of a chemical catalyst, which is required to achieve high reactant conversions in reasonable reaction times (e.g., 1 hour). The need for long reactor residence times requires use of large reactors and ancillary equipment (e.g., feed and product tankage), and correspondingly large facilities, in order to obtain the economy of scale required to make the process economically viable. Hence, the goal of this CRADA was to demonstrate successful, extended operation of a laboratory-scale reactor/separator prototype to process typical industrial reactant materials, and to design, fabricate, and test a production-scale unit for deployment at the biodiesel production site. Because of its ease of operation, rapid attainment of steady state, high mass transfer and phase separation efficiencies, and compact size, a centrifugal contactor was chosen for intensification of the biodiesel production process. The unit was modified to increase the residence time from a few seconds to minutes*. For this application, liquid phases were introduced into the reactor as separate streams. One was composed of the methanol and base catalyst and the other was the soy oil used in the experiments. Following reaction in the mixing zone, the immiscible glycerine and methyl ester products were separated in the high speed rotor and collected from separate

A COMBINED REACTION/PRODUCT RECOVERY PROCESS FOR THE CONTINUOUS PRODUCTION OF BIODIESEL

Energy Technology Data Exchange (ETDEWEB)

Birdwell, J.F., Jr.; McFarlane, J.; Schuh, D.L.; Tsouris, C; Day, J.N. (Nu-Energie, LLC); Hullette, J.N. (Nu-Energie, LLC)

2009-09-01

Oak Ridge National Laboratory (ORNL) and Nu-Energie, LLC entered into a Cooperative Research And Development Agreement (CRADA) for the purpose of demonstrating and deploying a novel technology for the continuous synthesis and recovery of biodiesel from the transesterification of triglycerides. The focus of the work was the demonstration of a combination Couette reactor and centrifugal separator - an invention of ORNL researchers - that facilitates both product synthesis and recovery from reaction byproducts in the same apparatus. At present, transesterification of triglycerides to produce biodiesel is performed in batch-type reactors with an excess of a chemical catalyst, which is required to achieve high reactant conversions in reasonable reaction times (e.g., 1 hour). The need for long reactor residence times requires use of large reactors and ancillary equipment (e.g., feed and product tankage), and correspondingly large facilities, in order to obtain the economy of scale required to make the process economically viable. Hence, the goal of this CRADA was to demonstrate successful, extended operation of a laboratory-scale reactor/separator prototype to process typical industrial reactant materials, and to design, fabricate, and test a production-scale unit for deployment at the biodiesel production site. Because of its ease of operation, rapid attainment of steady state, high mass transfer and phase separation efficiencies, and compact size, a centrifugal contactor was chosen for intensification of the biodiesel production process. The unit was modified to increase the residence time from a few seconds to minutes*. For this application, liquid phases were introduced into the reactor as separate streams. One was composed of the methanol and base catalyst and the other was the soy oil used in the experiments. Following reaction in the mixing zone, the immiscible glycerine and methyl ester products were separated in the high speed rotor and collected from separate

Study of the (p,d3He) reaction as a quasi-free reaction process

International Nuclear Information System (INIS)

Cowley, A.A.; Roos, P.G.; Chant, N.S.; Woody, R. III; Holmgren, H.D.; Goldberg, D.A.

1976-11-01

The (p,d 3 He) reaction on 6 Li, 7 Li, 9 Be, and 12 C has been investigated in conjunction with studies of the (p,pα) reaction on the same targets. Coincident data for all four targets were obtained at a bombarding energy of 100 MeV for numerous angle pairs in order to test the reaction mechanism. Comparisons of the (p,d 3 He) data to both (p,pα) data and distorted wave impulse approximation calculations (DWIA) indicate a dominance of the direct quasi-free reaction process (p + alpha yields d + 3 He). The absolute alpha-particle spectroscopic factors extracted using DWIA analysis are in agreement with the values obtained in the (p,pα) reaction

Fiber-optic sensor design for chemical process and environmental monitoring

Science.gov (United States)

Mahendran, R. S.; Wang, L.; Machavaram, V. R.; Pandita, S. D.; Chen, R.; Kukureka, S. N.; Fernando, G. F.

2009-10-01

"Curing" is a term that is used to describe the cross-linking reactions in a thermosetting resin system. Advanced fiber-reinforced composites are being used increasingly in a number of industrial sectors including aerospace, marine, sport, automotive and civil engineering. There is a general realization that the processing conditions that are used to manufacture the composite can have a major influence on its hot-wet mechanical properties. This paper is concerned with the design and demonstration of a number of sensor designs for in situ monitoring of the cross-linking reactions of a commercially available thermosetting resin system. Simple fixtures were constructed to enable a pair of cleaved optical fibers with a defined gap between the end-faces to be held in position. The resin system was introduced into this gap and the cure kinetics were followed by transmission infrared spectroscopy. A semi-empirical model was used to describe the cure process using the data obtained at different cure temperatures. The same sensor system was used to detect the ingress of moisture into the cured resin system.

p-Nitrophenol degradation by electro-Fenton process: Pathway, kinetic model and optimization using central composite design.

Science.gov (United States)

Meijide, J; Rosales, E; Pazos, M; Sanromán, M A

2017-10-01

The chemical process scale-up, from lab studies to industrial production, is challenging and requires deep knowledge of the kinetic model and the reactions that take place in the system. This knowledge is also useful in order to be employed for the reactor design and the determination of the optimal operational conditions. In this study, a model substituted phenol such as p-nitrophenol was degraded by electro-Fenton process and the reaction products yielded along the treatment were recorded. The kinetic model was developed using Matlab software and was based on main reactions that occurred until total mineralization which allowed predicting the degradation pathway under this advanced oxidation process. The predicted concentration profiles of p-nitrophenol, their intermediates and by-products in electro-Fenton process were validated with experimental assays and the results were consistent. Finally, based on the developed kinetic model the degradation process was optimized using central composite design taking as key parameters the ferrous ion concentration and current density. Copyright © 2017 Elsevier Ltd. All rights reserved.

Process Simulation for the Design and Scale Up of Heterogeneous Catalytic Process: Kinetic Modelling Issues

Directory of Open Access Journals (Sweden)

Antonio Tripodi

2017-05-01

Full Text Available Process simulation represents an important tool for plant design and optimization, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behavior of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimization. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and independently calculate thermodynamic and kinetic parameters. Different case studies support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g., ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway and the relative available kinetic scheme. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene. In this case, lumped kinetic schemes completely fail the description of process behavior. Thus, in this case, more detailed—e.g., microkinetic—schemes should be available to implement into the simulator. However, the correct definition of all the kinetic data when complex microkinetic mechanisms are used, often leads to unreliable, highly correlated parameters. In such cases, greater effort to independently estimate some relevant kinetic/thermodynamic data through Density Functional Theory (DFT/ab initio methods may be helpful to improve process description.

Contribution to an effective design method for stationary reaction-diffusion patterns

International Nuclear Information System (INIS)

Szalai, István; Horváth, Judit; De Kepper, Patrick

2015-01-01

The British mathematician Alan Turing predicted, in his seminal 1952 publication, that stationary reaction-diffusion patterns could spontaneously develop in reacting chemical or biochemical solutions. The first two clear experimental demonstrations of such a phenomenon were not made before the early 1990s when the design of new chemical oscillatory reactions and appropriate open spatial chemical reactors had been invented. Yet, the number of pattern producing reactions had not grown until 2009 when we developed an operational design method, which takes into account the feeding conditions and other specificities of real open spatial reactors. Since then, on the basis of this method, five additional reactions were shown to produce stationary reaction-diffusion patterns. To gain a clearer view on where our methodical approach on the patterning capacity of a reaction stands, numerical studies in conditions that mimic true open spatial reactors were made. In these numerical experiments, we explored the patterning capacity of Rabai's model for pH driven Landolt type reactions as a function of experimentally attainable parameters that control the main time and length scales. Because of the straightforward reversible binding of protons to carboxylate carrying polymer chains, this class of reaction is at the base of the chemistry leading to most of the stationary reaction-diffusion patterns presently observed. We compare our model predictions with experimental observations and comment on agreements and differences

Contribution to an effective design method for stationary reaction-diffusion patterns

Energy Technology Data Exchange (ETDEWEB)

Szalai, István; Horváth, Judit [Laboratory of Nonlinear Chemical Dynamics, Institute of Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112 (Hungary); De Kepper, Patrick [Centre de Recherche Paul Pascal, CNRS, University of Bordeaux, 115, Avenue Schweitzer, F-33600 Pessac (France)

2015-06-15

The British mathematician Alan Turing predicted, in his seminal 1952 publication, that stationary reaction-diffusion patterns could spontaneously develop in reacting chemical or biochemical solutions. The first two clear experimental demonstrations of such a phenomenon were not made before the early 1990s when the design of new chemical oscillatory reactions and appropriate open spatial chemical reactors had been invented. Yet, the number of pattern producing reactions had not grown until 2009 when we developed an operational design method, which takes into account the feeding conditions and other specificities of real open spatial reactors. Since then, on the basis of this method, five additional reactions were shown to produce stationary reaction-diffusion patterns. To gain a clearer view on where our methodical approach on the patterning capacity of a reaction stands, numerical studies in conditions that mimic true open spatial reactors were made. In these numerical experiments, we explored the patterning capacity of Rabai's model for pH driven Landolt type reactions as a function of experimentally attainable parameters that control the main time and length scales. Because of the straightforward reversible binding of protons to carboxylate carrying polymer chains, this class of reaction is at the base of the chemistry leading to most of the stationary reaction-diffusion patterns presently observed. We compare our model predictions with experimental observations and comment on agreements and differences.

Computer-assisted design for scaling up systems based on DNA reaction networks.

Science.gov (United States)

Aubert, Nathanaël; Mosca, Clément; Fujii, Teruo; Hagiya, Masami; Rondelez, Yannick

2014-04-06

In the past few years, there have been many exciting advances in the field of molecular programming, reaching a point where implementation of non-trivial systems, such as neural networks or switchable bistable networks, is a reality. Such systems require nonlinearity, be it through signal amplification, digitalization or the generation of autonomous dynamics such as oscillations. The biochemistry of DNA systems provides such mechanisms, but assembling them in a constructive manner is still a difficult and sometimes counterintuitive process. Moreover, realistic prediction of the actual evolution of concentrations over time requires a number of side reactions, such as leaks, cross-talks or competitive interactions, to be taken into account. In this case, the design of a system targeting a given function takes much trial and error before the correct architecture can be found. To speed up this process, we have created DNA Artificial Circuits Computer-Assisted Design (DACCAD), a computer-assisted design software that supports the construction of systems for the DNA toolbox. DACCAD is ultimately aimed to design actual in vitro implementations, which is made possible by building on the experimental knowledge available on the DNA toolbox. We illustrate its effectiveness by designing various systems, from Montagne et al.'s Oligator or Padirac et al.'s bistable system to new and complex networks, including a two-bit counter or a frequency divider as well as an example of very large system encoding the game Mastermind. In the process, we highlight a variety of behaviours, such as enzymatic saturation and load effect, which would be hard to handle or even predict with a simpler model. We also show that those mechanisms, while generally seen as detrimental, can be used in a positive way, as functional part of a design. Additionally, the number of parameters included in these simulations can be large, especially in the case of complex systems. For this reason, we included the

Heavy lon Reactions The Elementary Processes, Parts I and II

CERN Document Server

Broglia, Ricardo A

2004-01-01

Combining elastic and inelastic processes with transfer reactions, this two-part volume explores how these events affect heavy ion collisions. Special attention is given to processes involving the transfer of two nucleons, which are specific for probing pairing correlations in nuclei. This novel treatment provides, together with the description of surface vibration and rotations, a unified picture of heavy ion reactions in terms of the elementary modes of nuclear excitation. Heavy Ion Reactions is essential reading for beginning graduate students as well as experienced researchers.

Nuclear reaction models - source term estimation for safety design in accelerators

International Nuclear Information System (INIS)

Nandy, Maitreyee

2013-01-01

Accelerator driven subcritical system (ADSS) employs proton induced spallation reaction at a few GeV. Safety design of these systems involves source term estimation in two steps - multiple fragmentation of the target and n+γ emission through a fast process followed by statistical decay of the primary fragments. The prompt radiation field is estimated in the framework of quantum molecular dynamics (QMD) theory, intra-nuclear cascade or Monte Carlo calculations. A few nuclear reaction model codes used for this purpose are QMD, JQMD, Bertini, INCL4, PHITS, followed by statistical decay codes like ABLA, GEM, GEMINI, etc. In the case of electron accelerators photons and photoneutrons dominate the prompt radiation field. High energy photon yield through Bremsstrahlung is estimated in the framework of Born approximation while photoneutron production is calculated using giant dipole resonance and quasi-deuteron formation cross section. In this talk hybrid and exciton PEQ models and QMD formalism will be discussed briefly

Influence of reaction chamber shape on cast-iron spheroidization process in-mold

Directory of Open Access Journals (Sweden)

S. Pietrowski

2010-01-01

Full Text Available This paper presents a results concerning the influence of reaction chamber shape on cast – iron spheroidization process in form. The volume of the tested reaction chambers was about 118000mm3. Reaction chambers in the shape of: rectangular, cylinder and spherical cap were examined. It has been shown that the best graphite spheroidizing process was provided by spherical cap chamber shape. The reaction of cast – iron with magnesium in reaction chamber depends on the flow of cast – iron in the chamber. In rectangular and cylinder shape chambers proceed the impact of diphase stream on flat bottom wall. It causes the creation on its surface film, called: cast – iron “film”, where single grains of magnesium master alloy exist. The largest part of master alloy is drifted by liquid cast – iron to the top and only there graphite spheroidization process proceed. In the spherical cap shape reaction chamber, as a result of rotation movement of liquid cast – iron throughout its volume, graphite spheroidization process proceed. Apart from the reaction chamber shape, applying of mixing chamber ensure full cast – iron spheroidization process.

Japanese position paper on sodium-water reaction testing and design

International Nuclear Information System (INIS)

Sato, M.; Hiroi, H.; Tanabe, H.; Miyake, O.; Kuroha, M.; Hoshi, Y.

1984-01-01

PNC has been developing the steam generator with helically coiled heat transfer tube bundle and downcommer tubes for the prototype fast reactor Monju since 1968. To establish the safety design against the sodium-water reaction accident was one of the most important R and D items at the start of the development. PNC started the experimental study initially in the large leak region in 1970. Until now, during twelve years, the experimental studies have been performed, which covers the phenomena from a micro leak to a large one, with the use of the SWAT-1 rig, SWAT-2 loop, SWAT-3 loop, and SWAT-4 rigs. The reliable leak detection system is necessary to minimize the damage by the sodium-water reaction. Two groups of efforts have been paid for developing the detection system. One is to develop the leak detector itself, and another is to grasp the hydrogen transport behavior in the sodium in the steam generator and the secondary piping system. Four sodium loops have been used for the development. The development of computer codes has also progressed in parallel with the sodium-water reaction experiments. Three codes have been accomplished for the design tools against the sodium-water reaction. Through the efforts mentioned above, sufficient experiences were obtained for designing and operating the Monju steam generator system

A model-based framework for design of intensified enzyme-based processes

DEFF Research Database (Denmark)

Román-Martinez, Alicia

This thesis presents a generic and systematic model-based framework to design intensified enzyme-based processes. The development of the presented methodology was motivated by the needs of the bio-based industry for a more systematic approach to achieve intensification in its production plants...... in enzyme-based processes which have found significant application in the pharmaceutical, food, and renewable fuels sector. The framework uses model-based strategies for (bio)-chemical process design and optimization, including the use of a superstructure to generate all potential reaction......(s)-separation(s) options according to a desired performance criteria and a generic mathematical model represented by the superstructure to derive the specific models corresponding to a specific process option. In principle, three methods of intensification of bioprocess are considered in this thesis: 1. enzymatic one...

A systematic methodology for the design of continuous active pharmaceutical ingredient production processes

DEFF Research Database (Denmark)

Cervera Padrell, Albert Emili; Gani, Rafiqul; Kiil, Søren

2011-01-01

Continuous pharmaceutical manufacturing (CPM) has emerged as a powerful technology to obtain higher reaction yields and improved separation efficiencies, potentially leading to simplified process flowsheets, reduced total costs, lower environmental impacts, and safer and more flexible production...... and representation, as well as on how to employ this knowledge for process (re-)design. The aim of this paper is to introduce a methodology that systematically identifies already existing PSE methods and tools which can assist in the design of CPM processes. This methodology has been applied to a process...... for the production of an API developed by H. Lundbeck A/S, demonstrating the mentioned potential benefits that CPM can offer....

Research progress on trifluoromethyl-based radical reaction process

Science.gov (United States)

Song, Hao

2017-12-01

Due to the unique properties imparted by the trifluoromethyl group, such as high electron density and strong lipotropy, which effectively improve acidity, lipophilicity and metabolic stability of the molecule itself, trifluoromethyl-substituted organic compounds are becoming increasingly important as structural motifs in pharmaceuticals, agrochemicals and organic materials. In this review, we present several methods developed for the direct introduction of a trifluoromethyl group, beginning with its rich and storied history. Then the present article addresses mechanism and process in carbon-carbon bond forming reaction based on radical process which is divided into three parts according to the way of CF3 radical generation. Finally, challenges and opportunities of researches on trifluoromethylation reactions facing are prospected.

Model-Based Integrated Process Design and Controller Design of Chemical Processes

DEFF Research Database (Denmark)

Abd Hamid, Mohd Kamaruddin Bin

that is typically formulated as a mathematical programming (optimization with constraints) problem is solved by the so-called reverse approach by decomposing it into four sequential hierarchical sub-problems: (i) pre-analysis, (ii) design analysis, (iii) controller design analysis, and (iv) final selection......This thesis describes the development and application of a new systematic modelbased methodology for performing integrated process design and controller design (IPDC) of chemical processes. The new methodology is simple to apply, easy to visualize and efficient to solve. Here, the IPDC problem...... are ordered according to the defined performance criteria (objective function). The final selected design is then verified through rigorous simulation. In the pre-analysis sub-problem, the concepts of attainable region and driving force are used to locate the optimal process-controller design solution...

Special Issue: Design and Engineering of Microreactor and Smart-Scaled Flow Processes

Directory of Open Access Journals (Sweden)

Volker Hessel

2014-12-01

Full Text Available Reaction-oriented research in flow chemistry and microreactor has been extensively focused upon in special journal issues and books. On a process level, this resembled the “drop-in” (retrofit concept with the microreactor replacing a conventional (batch reactor. Meanwhile, with the introduction of the mobile, compact, modular container technology, the focus is more on the process side, including also providing an end-to-end vision of intensified process design. Exactly this is the focus of the current special issue “Design and Engineering of Microreactor and Smart-Scaled Flow Processes” of the journal “Processes”. This special issue comprises three review papers, five research articles and two communications. [...

Reaction rates for neutrino processes

International Nuclear Information System (INIS)

Shalitin, D.

1978-01-01

Some integrals involved in neutrino processes are evaluated by transformation to a special system of reference - usually to the center of mass system (CM). Rather simple analytic expressions are obtained for reaction rates and, though less simple, for moments. An interesting result thus obtained is for an isotropic interaction (in CM) of a neutrino with a monoenergetic isotropic gas of extreme relativistic electrons: it is found that the probability of the scattered neutrino to have energy in a certain range is independent of this energy. (Auth.)

Towards a lumped reaction model for future designer fuels

Energy Technology Data Exchange (ETDEWEB)

Vandersickel, A.; Wright, Y.M.; Boulouchos, K. [ETH Zurich, Aerothermochemistry and Combustion Systems Laboratory, Zurich (Switzerland). Inst. of Energy Technology

2009-07-01

The homogeneous charge compression ignition (HCCI) is one of the most promising engine processes to simultaneously reduce nitrogen oxide and soot emissions. However, its applicability is hindered by its relatively limited operating range. Designer fuels offer unique possibilities for tailoring evaporation and auto-ignition properties, offering a means to control and expand the HCCI operation range. The identification of HCCI relevant fuel properties as well as the definition of a new fuel index able to describe a fuels suitability for HCCI was required in order to develop such designer fuels. This paper discussed a numerical and experimental investigation of a large set of technical fuels covering a wide range of properties. The paper discussed mechanism development approaches, optimization of the lumped mechanism, and and results. Zheng's 7-step reaction mechanism was successfully coupled with a genetic optimization algorithm and fitted to n-heptane ignition delay data. It was concluded that the presented coupled approach could improve the predictive quality of the model and demonstrate that the Zheng model was sufficiently elaborate to emulate the influence of temperature, pressure, exhaust gas recirculation and lambda on ignition. 8 refs., 1 tab., 3 figs.

Towards a lumped reaction model for future designer fuels

International Nuclear Information System (INIS)

Vandersickel, A.; Wright, Y.M.; Boulouchos, K.

2009-01-01

The homogeneous charge compression ignition (HCCI) is one of the most promising engine processes to simultaneously reduce nitrogen oxide and soot emissions. However, its applicability is hindered by its relatively limited operating range. Designer fuels offer unique possibilities for tailoring evaporation and auto-ignition properties, offering a means to control and expand the HCCI operation range. The identification of HCCI relevant fuel properties as well as the definition of a new fuel index able to describe a fuels suitability for HCCI was required in order to develop such designer fuels. This paper discussed a numerical and experimental investigation of a large set of technical fuels covering a wide range of properties. The paper discussed mechanism development approaches, optimization of the lumped mechanism, and and results. Zheng's 7-step reaction mechanism was successfully coupled with a genetic optimization algorithm and fitted to n-heptane ignition delay data. It was concluded that the presented coupled approach could improve the predictive quality of the model and demonstrate that the Zheng model was sufficiently elaborate to emulate the influence of temperature, pressure, exhaust gas recirculation and lambda on ignition. 8 refs., 1 tab., 3 figs.

Food Processing and Maillard Reaction Products: Effect on Human Health and Nutrition

Directory of Open Access Journals (Sweden)

Nahid Tamanna

2015-01-01

Full Text Available Maillard reaction produces flavour and aroma during cooking process; and it is used almost everywhere from the baking industry to our day to day life to make food tasty. It is often called nonenzymatic browning reaction since it takes place in the absence of enzyme. When foods are being processed or cooked at high temperature, chemical reaction between amino acids and reducing sugars leads to the formation of Maillard reaction products (MRPs. Depending on the way the food is being processed, both beneficial and toxic MRPs can be produced. Therefore, there is a need to understand the different types of MRPs and their positive or negative health effects. In this review we have summarized how food processing effects MRP formation in some of the very common foods.

Food Processing and Maillard Reaction Products: Effect on Human Health and Nutrition

Science.gov (United States)

Tamanna, Nahid; Mahmood, Niaz

2015-01-01

Maillard reaction produces flavour and aroma during cooking process; and it is used almost everywhere from the baking industry to our day to day life to make food tasty. It is often called nonenzymatic browning reaction since it takes place in the absence of enzyme. When foods are being processed or cooked at high temperature, chemical reaction between amino acids and reducing sugars leads to the formation of Maillard reaction products (MRPs). Depending on the way the food is being processed, both beneficial and toxic MRPs can be produced. Therefore, there is a need to understand the different types of MRPs and their positive or negative health effects. In this review we have summarized how food processing effects MRP formation in some of the very common foods. PMID:26904661

Feynman-Kac equations for reaction and diffusion processes

Science.gov (United States)

Hou, Ru; Deng, Weihua

2018-04-01

This paper provides a theoretical framework for deriving the forward and backward Feynman-Kac equations for the distribution of functionals of the path of a particle undergoing both diffusion and reaction processes. Once given the diffusion type and reaction rate, a specific forward or backward Feynman-Kac equation can be obtained. The results in this paper include those for normal/anomalous diffusions and reactions with linear/nonlinear rates. Using the derived equations, we apply our findings to compute some physical (experimentally measurable) statistics, including the occupation time in half-space, the first passage time, and the occupation time in half-interval with an absorbing or reflecting boundary, for the physical system with anomalous diffusion and spontaneous evanescence.

Towards a standardized way of reporting physicochemical data and process metrics for transaminase reactions

DEFF Research Database (Denmark)

Tufvesson, Pär; Woodley, John

information about the system and the reaction performance is lacking in the otherwise very useful scientific reports at laboratory scale. For instance, although K equilibrium is one of the key determining factors for the design and scale-up any transaminase process, it is very rarely reported [3]. In order...... to build a broader understanding of the correlation between the underlying physicochemical properties of the system (e.g. substrate volatility) and the process performance (e.g. gram of product per gram of biocatalyst), it would be highly beneficial if these data were reported, and ideally in a consistent...

Designing driver assistance systems with crossmodal signals: multisensory integration rules for saccadic reaction times apply.

Directory of Open Access Journals (Sweden)

Rike Steenken

Full Text Available Modern driver assistance systems make increasing use of auditory and tactile signals in order to reduce the driver's visual information load. This entails potential crossmodal interaction effects that need to be taken into account in designing an optimal system. Here we show that saccadic reaction times to visual targets (cockpit or outside mirror, presented in a driving simulator environment and accompanied by auditory or tactile accessories, follow some well-known spatiotemporal rules of multisensory integration, usually found under confined laboratory conditions. Auditory nontargets speed up reaction time by about 80 ms. The effect tends to be maximal when the nontarget is presented 50 ms before the target and when target and nontarget are spatially coincident. The effect of a tactile nontarget (vibrating steering wheel was less pronounced and not spatially specific. It is shown that the average reaction times are well-described by the stochastic "time window of integration" model for multisensory integration developed by the authors. This two-stage model postulates that crossmodal interaction occurs only if the peripheral processes from the different sensory modalities terminate within a fixed temporal interval, and that the amount of crossmodal interaction manifests itself in an increase or decrease of second stage processing time. A qualitative test is consistent with the model prediction that the probability of interaction, but not the amount of crossmodal interaction, depends on target-nontarget onset asynchrony. A quantitative model fit yields estimates of individual participants' parameters, including the size of the time window. Some consequences for the design of driver assistance systems are discussed.

The application of reaction engineering to biocatalysis

DEFF Research Database (Denmark)

Ringborg, Rolf Hoffmeyer; Woodley, John

2016-01-01

outline the benefits of reaction engineering in this development process, with particular emphasis of reaction kinetics. Future research needs to focus on rapid methods to collect such data at sufficient accuracy that it can be used forthe effective design of new biocatalytic processes....

Expression regulation of design process gene in product design

DEFF Research Database (Denmark)

Li, Bo; Fang, Lusheng; Li, Bo

2011-01-01

To improve the design process efficiency, this paper proposes the principle and methodology that design process gene controls the characteristics of design process under the framework of design process reuse and optimization based on design process gene. First, the concept of design process gene...... is proposed and analyzed, as well as its three categories i.e., the operator gene, the structural gene and the regulator gene. Second, the trigger mechanism that design objectives and constraints trigger the operator gene is constructed. Third, the expression principle of structural gene is analyzed...... with the example of design management gene. Last, the regulation mode that the regulator gene regulates the expression of the structural gene is established and it is illustrated by taking the design process management gene as an example. © (2011) Trans Tech Publications....

Advanced Precursor Reaction Processing for Cu(InGa)(SeS)2 Solar Cells

Energy Technology Data Exchange (ETDEWEB)

Shafarman, William N. [Univ. of Delaware, Newark, DE (United States)

2015-10-12

This project “Advanced Precursor Reaction Processing for Cu(InGa)(SeS)2 Solar Cells”, completed by the Institute of Energy Conversion (IEC) at the University of Delaware in collaboration with the Department of Chemical Engineering at the University of Florida, developed the fundamental understanding and technology to increase module efficiency and improve the manufacturability of Cu(InGa)(SeS)2 films using the precursor reaction approach currently being developed by a number of companies. Key results included: (1) development of a three-step H2Se/Ar/H2S reaction process to control Ga distribution through the film and minimizes back contact MoSe2 formation; (2) Ag-alloying to improve precursor homogeneity by avoiding In phase agglomeration, faster reaction and improved adhesion to allow wider reaction process window; (3) addition of Sb, Bi, and Te interlayers at the Mo/precursor junction to produce more uniform precursor morphology and improve adhesion with reduced void formation in reacted films; (4) a precursor structure containing Se and a reaction process to reduce processing time to 5 minutes and eliminate H2Se usage, thereby increasing throughput and reducing costs. All these results were supported by detailed characterization of the film growth, reaction pathways, thermodynamic assessment and device behavior.

Scaling analysis in modeling transport and reaction processes a systematic approach to model building and the art of approximation

CERN Document Server

Krantz, William B

2007-01-01

This book is unique as the first effort to expound on the subject of systematic scaling analysis. Not written for a specific discipline, the book targets any reader interested in transport phenomena and reaction processes. The book is logically divided into chapters on the use of systematic scaling analysis in fluid dynamics, heat transfer, mass transfer, and reaction processes. An integrating chapter is included that considers more complex problems involving combined transport phenomena. Each chapter includes several problems that are explained in considerable detail. These are followed by several worked examples for which the general outline for the scaling is given. Each chapter also includes many practice problems. This book is based on recognizing the value of systematic scaling analysis as a pedagogical method for teaching transport and reaction processes and as a research tool for developing and solving models and in designing experiments. Thus, the book can serve as both a textbook and a reference boo...

Process/Equipment Co-Simulation on Syngas Chemical Looping Process

Energy Technology Data Exchange (ETDEWEB)

Zeng, Liang; Zhou, Qiang; Fan, Liang-Shih

2012-09-30

The chemical looping strategy for fossil energy applications promises to achieve an efficient energy conversion system for electricity, liquid fuels, hydrogen and/or chemicals generation, while economically separate CO{sub 2} by looping reaction design in the process. Chemical looping particle performance, looping reactor engineering, and process design and applications are the key drivers to the success of chemical looping process development. In order to better understand and further scale up the chemical looping process, issues such as cost, time, measurement, safety, and other uncertainties need to be examined. To address these uncertainties, advanced reaction/reactor modeling and process simulation are highly desired and the modeling efforts can accelerate the chemical looping technology development, reduce the pilot-scale facility design time and operating campaigns, as well as reduce the cost and technical risks. The purpose of this work is thus to conduct multiscale modeling and simulations on the key aspects of chemical looping technology, including particle reaction kinetics, reactor design and operation, and process synthesis and optimization.

Evaluation of Chemical Kinetic for Mathematics Model Reduction of Cadmium Reaction Rate, Constant and Reaction Orde in to Electrochemical Process

International Nuclear Information System (INIS)

Prayitno

2007-01-01

The experiment was reduction of cadmium rate with electrochemical influenced by time process, concentration, current strength and type of electrode plate. The aim of the experiment was to know the influence, mathematic model reduction of cadmium the reaction rate, reaction rate constant and reaction orde influenced by time process, concentration, current strength and type of electrode plate. Result of research indicate the time processing if using plate of copper electrode is during 30 minutes and using plate of aluminium electrode is during 20 minutes. Condition of strong current that used in process of electrochemical is only 0.8 ampere and concentration effective is 5.23 mg/l. The most effective type Al of electrode plate for reduction from waste and the efficiency of reduction is 98 %. (author)

Incidents of chemical reactions in cell equipment

Energy Technology Data Exchange (ETDEWEB)

Baldwin, N.M.; Barlow, C.R. [Uranium Enrichment Organization, Oak Ridge, TN (United States)

1991-12-31

Strongly exothermic reactions can occur between equipment structural components and process gases under certain accident conditions in the diffusion enrichment cascades. This paper describes the conditions required for initiation of these reactions, and describes the range of such reactions experienced over nearly 50 years of equipment operation in the US uranium enrichment program. Factors are cited which can promote or limit the destructive extent of these reactions, and process operations are described which are designed to control the reactions to minimize equipment damage, downtime, and the possibility of material releases.

Self-optimisation and model-based design of experiments for developing a C–H activation flow process

Directory of Open Access Journals (Sweden)

Alexander Echtermeyer

2017-01-01

Full Text Available A recently described C(sp3–H activation reaction to synthesise aziridines was used as a model reaction to demonstrate the methodology of developing a process model using model-based design of experiments (MBDoE and self-optimisation approaches in flow. The two approaches are compared in terms of experimental efficiency. The self-optimisation approach required the least number of experiments to reach the specified objectives of cost and product yield, whereas the MBDoE approach enabled a rapid generation of a process model.

Investigating radical cation chain processes in the electrocatalytic Diels-Alder reaction.

Science.gov (United States)

Imada, Yasushi; Okada, Yohei; Chiba, Kazuhiro

2018-01-01

Single electron transfer (SET)-triggered radical ion-based reactions have proven to be powerful options in synthetic organic chemistry. Although unique chain processes have been proposed in various photo- and electrochemical radical ion-based transformations, the turnover number, also referred to as catalytic efficiency, remains unclear in most cases. Herein, we disclose our investigations of radical cation chain processes in the electrocatalytic Diels-Alder reaction, leading to a scalable synthesis. A gram-scale synthesis was achieved with high current efficiency of up to 8000%. The reaction monitoring profiles showed sigmoidal curves with induction periods, suggesting the involvement of intermediate(s) in the rate determining step.

The Critical Design Process

DEFF Research Database (Denmark)

Brunsgaard, Camilla; Knudstrup, Mary-Ann; Heiselberg, Per

2014-01-01

within Danish tradition of architecture and construction. The objective of the research presented in this paper, is to compare the different design processes behind the making of passive houses in a Danish context. We evaluated the process with regard to the integrated and traditional design process....... Data analysis showed that the majority of the consortiums worked in an integrated manner; though there was room for improvment. Additionally, the paper discusses the challanges of implementing the integrated design process in practice and suggests ways of overcomming some of the barriers . In doing so...

Isotope effects in gas-phase chemical reactions and photodissociation processes: Overview

International Nuclear Information System (INIS)

Kaye, J.A.

1992-01-01

The origins of isotope effects in equilibrium and non-equilibrium chemical processes are reviewed. In non-equilibrium processes, attention is given to isotope effects in simple bimolecular reactions, symmetry-related reactions, and photodissociation processes. Recent examples of isotope effects in these areas are reviewed. Some indication of other scientific areas for which measurements and/or calculations of isotope effects are used is also given. Examples presented focus on neutral molecule chemistry and in many cases complement examples considered in greater detail in the other chapters of this volume

A kinetic reaction model for biomass pyrolysis processes in Aspen Plus

International Nuclear Information System (INIS)

Peters, Jens F.; Banks, Scott W.; Bridgwater, Anthony V.; Dufour, Javier

2017-01-01

Highlights: • Predictive kinetic reaction model applicable to any lignocellulosic feedstock. • Calculates pyrolysis yields and product composition as function of reactor conditions. • Detailed modelling of product composition (33 model compounds for the bio-oil). • Good agreement with literature regarding yield curves and product composition. • Successful validation with pyrolysis experiments in bench scale fast pyrolysis rig. - Abstract: This paper presents a novel kinetic reaction model for biomass pyrolysis processes. The model is based on the three main building blocks of lignocellulosic biomass, cellulose, hemicellulose and lignin and can be readily implemented in Aspen Plus and easily adapted to other process simulation software packages. It uses a set of 149 individual reactions that represent the volatilization, decomposition and recomposition processes of biomass pyrolysis. A linear regression algorithm accounts for the secondary pyrolysis reactions, thus allowing the calculation of slow and intermediate pyrolysis reactions. The bio-oil is modelled with a high level of detail, using up to 33 model compounds, which allows for a comprehensive estimation of the properties of the bio-oil and the prediction of further upgrading reactions. After showing good agreement with existing literature data, our own pyrolysis experiments are reported for validating the reaction model. A beech wood feedstock is subjected to pyrolysis under well-defined conditions at different temperatures and the product yields and compositions are determined. Reproducing the experimental pyrolysis runs with the simulation model, a high coincidence is found for the obtained fraction yields (bio-oil, char and gas), for the water content and for the elemental composition of the pyrolysis products. The kinetic reaction model is found to be suited for predicting pyrolysis yields and product composition for any lignocellulosic biomass feedstock under typical pyrolysis conditions

Fragmentation processes in nuclear reactions

International Nuclear Information System (INIS)

Baur, G.; Roesel, F.; Trautmann, D.; Shyam, R.

1983-10-01

Fragmentation processes in nuclear collisions are reviewed. The main emphasis is put on light ion breakup at nonrelativistic energies. The post- and prior-form DWBA theories are discussed. The post-form DWBA, appropriate for the ''spectator breakup'' describes elastic as well as inelastic breakup modes. This theory can also account for the stripping to unbound states. The theoretical models are compared to typical experimental results to illustrate the various possible mechanisms. It is discussed, how breakup reactions can be used to study high-lying single particle strength in the continuum; how it can yield information about momentum distributions of fragments in the nucleus. (orig.)

Reactions the private life of atoms

CERN Document Server

Atkins, Peter

2011-01-01

Through an innovative, closely integrated design of images and text, and his characteristically clear, precise, and economical exposition, Peter Atkins explains the processes involved in chemical reactions. He begins by introducing a 'tool kit' of basic reactions, such as precipitation, corrosion, and catalysis, and concludes by showing how these building blocks are brought together in more complex processes such as photosynthesis.

Safe design and operation of tank reactors for multiple-reaction networks: uniqueness and multiplicity

NARCIS (Netherlands)

Westerterp, K.R.; Westerink, E.J.

1990-01-01

A method is developed to design a tank reactor in which a network of reactions is carried out. The network is a combination of parallel and consecutive reactions. The method ensures unique operation. Dimensionless groups are used which are either representative of properties of the reaction system

Fundamental mechanisms and reactions in non-catalytic subcritical hydrothermal processes: A review.

Science.gov (United States)

Yousefifar, Azadeh; Baroutian, Saeid; Farid, Mohammed M; Gapes, Daniel J; Young, Brent R

2017-10-15

The management and disposal of solid waste is of increasing concern across the globe. Hydrothermal processing of sludge has been suggested as a promising solution to deal with the considerable amounts of sludge produced worldwide. Such a process not only degrades organic compounds and reduces waste volume, but also provides an opportunity to recover valuable substances. Hydrothermal processing comprises two main sub-processes: wet oxidation (WO) and thermal hydrolysis (TH), in which the formation of various free radicals results in the production of different intermediates. Volatile fatty acids (VFAs), especially acetic acid, are usually the main intermediates which remain as a by-product of the process. This paper aims to review the fundamental mechanism for hydrothermal processing of sludge, and the formation of different free radicals and intermediates therein. In addition, the proposed kinetic models for the two processes (WO and TH) from the literature are reviewed and the advantages and disadvantages of each model are outlined. The effect of mass transfer as a critical component of the design and development of the processes, which has been neglected in most of these proposed models, is also reviewed, and the effect of influencing parameters on the processes' controlling step (reaction or mass transfer) is discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Behavioural design: A process for integrating behaviour change and design

DEFF Research Database (Denmark)

Cash, Philip; Hartlev, Charlotte Gram; Durazo, Christine Boysen

2017-01-01

Nudge, persuasion, and the influencing of human behaviour through design are increasingly important topics in design research and in the wider public consciousness. However, current theoretical approaches to behaviour change have yet to be operationalized this in design process support....... Specifically, there are few empirically grounded processes supporting designers in realising behaviour change projects. In response to this, 20 design projects from a case company are analysed in order to distil a core process for behavioural design. Results show a number of process stages and activities...... associated with project success, pointing to a new perspective on the traditional design process, and allowing designers to integrate key insights from behaviour change theory. Using this foundation we propose the Behavioural Design process....

Design methodology for bio-based processing: Biodiesel and fatty alcohol production

DEFF Research Database (Denmark)

Simasatikul, Lida; Arpornwichanopa, Amornchai; Gani, Rafiqul

2013-01-01

A systematic design methodology is developed for producing multiple main products plus side products starting with one or more bio-based renewable source. A superstructure that includes all possible reaction and separation operations is generated through thermodynamic insights and available data........ Economic analysis and net present value are determined to find the best economically and operationally feasible process. The application of the methodology is presented through a case study involving biodiesel and fatty alcohol productions....

Photonuclear reactions in astrophysical p-process: Theoretical calculations and experiment simulation based on ELI-NP

Science.gov (United States)

Xu, Yi; Luo, Wen; Balabanski, Dimiter; Goriely, Stephane; Matei, Catalin; Tesileanu, Ovidiu

2017-09-01

The astrophysical p-process is an important way of nucleosynthesis to produce the stable and proton-rich nuclei beyond Fe which can not be reached by the s- and r-processes. In the present study, the astrophysical reaction rates of (γ,n), (γ,p), and (γ,α) reactions are computed within the modern reaction code TALYS for about 3000 stable and proton-rich nuclei with 12 Infrastructure-Nuclear Physics (ELI-NP) facility is being developed, which will provide the great opportunity to experimentally study the photonuclear reactions in p-process. Simulations of the experimental setup for the measurements of the photonuclear reactions 96Ru(γ,p) and 96Ru(γ,α) are performed. It is shown that the experiments of photonuclear reactions in p-process based on ELI-NP are quite promising.

Design Process-System and Methodology of Design Research

Science.gov (United States)

Bashier, Fathi

2017-10-01

Studies have recognized the failure of the traditional design approach both in practice and in the studio. They showed that design problems today are too complex for the traditional approach to cope with and reflected a new interest in a better quality design services in order to meet the challenges of our time. In the mid-1970s and early 1980s, there has been a significant shift in focus within the field of design research towards the aim of creating a ‘design discipline’. The problem, as will be discussed, is the lack of an integrated theory of design knowledge that can explicitly describe the design process in a coherent way. As a consequence, the traditional approach fails to operate systematically, in a disciplinary manner. Addressing this problem is the primary goal of the research study in the design process currently being conducted in the research-based master studio at Wollega University, Ethiopia. The research study seeks to make a contribution towards a disciplinary approach, through proper understanding the mechanism of knowledge development within design process systems. This is the task of the ‘theory of design knowledge’. In this article the research project is introduced, and a model of the design process-system is developed in the studio as a research plan and a tool of design research at the same time. Based on data drawn from students’ research projects, the theory of design knowledge is developed and empirically verified through the research project.

Process of chemical recycling of post-consumer PET using a factorial design

International Nuclear Information System (INIS)

Lacerda, Carlos Eduardo de O.; Almeida, Yeda Medeiros B. de; Vinhas, Gloria M.

2015-01-01

The present study investigated important variables in the depolymerization reaction of post-consumer poly (ethylene terephthalate) - PET via alkaline hydrolysis. Through this reaction is obtained terephthalic acid (PTA), a monomer, which when purified, is used for the production of PET resin. The study was based on a 2"2 factorial design in which the independent variables were the concentration of NaOH solution and the reaction time, and the dependent variable was the yield of PTA obtained. The experiments that generated the best results, 100 % of yield, were obtained with the higher values of the independent variables. Statistical analysis showed that the concentration of NaOH solution is the variable that most influences in the process. The PTA obtained was analyzed by NMR ¹H technique, confirming the strong resemblance to commercial PTA obtained by petrochemical way. (author)

Safer operating conditions and optimal scaling-up process for cyclohexanone peroxide reaction

International Nuclear Information System (INIS)

Zang, Na; Qian, Xin-Ming; Liu, Zhen-Yi; Shu, Chi-Min

2015-01-01

Highlights: • Thermal hazard of cyclohexanone peroxide reaction was measured by experimental techniques. • Levenberg–Marquardt algorithm was adopted to evaluate kinetic parameters. • Safer operating conditions at laboratory scale were acquired by BDs and TDs. • The verified safer operating conditions were used to obtain the optimal scale-up parameters applied in industrial plants. - Abstract: The cyclohexanone peroxide reaction process, one of the eighteen hazardous chemical processes identified in China, is performed in indirectly cooled semibatch reactors. The peroxide reaction is added to a mixture of hydrogen peroxide and nitric acid, which form heterogeneous liquid–liquid systems. A simple and general procedure for building boundary and temperature diagrams of peroxide process is given here to account for the overall kinetic expressions. Such a procedure has been validated by comparison with experimental data. Thermally safer operating parameters were obtained at laboratory scale, and the scaled-up procedure was performed to give the minimum dosing time in an industrial plant, which is in favor of maximizing industrial reactor productivity. The results are of great significance for governing the peroxide reaction process apart from the thermal runaway region. It also greatly aids in determining optimization on operating parameters in industrial plants.

An Evaluation of the Acoustic Signal processing Techniques for Sodium-Water Reaction Detection in KALIMER-600

International Nuclear Information System (INIS)

Hur, Seop; Seong, S. H.; Kim, T. J.; Kim, S. O.; Lee, M. K.

2005-02-01

KALIMER-600 is a pool type fast breeder reactor using liquid sodium as a coolant. Although it has the several advantages such as long-term fuel cycle and enhanced safety concepts, it is possible to leak the secondary side water/steam into sodium boundary. This event could make the plant abnormal condition. One of the major design issues in KALIMER-600 is, therefore, to develop the system which can early detect the sodium-water reaction to protect the sodium-water reaction event. After evaluating the various signal processing techniques for passive acoustic leak detection, we have proposed the early leak detection logics. the signal processing techniques for evaluation were the spectral estimation using the linear modeling, the estimation error of linear modeling, the system adaptation rate using an adaptive signal processing, and the background noise cancellation using adaptive and fixed filtering. As the analysis results regarding the stationary and the cross-correlation of leak signals and background noises, the two signal systems met a wide-dense stationary process and there was only the week cross correlation relationship between two signals. It is ,therefore, possible to use the linear/harmonic modeling of signal systems, and the leak signal in sensor outputs can be discriminated. As the results of the evaluation of the various spectral estimation methods, the spectral estimation method based on autoregressive modeling was more practical comparing with other methods in the sodium-water reaction detection. The passive acoustic leak detection logics were suggested based on above evaluations. the logics consist of 3 levels; transient identification, leak determination and leak symptom identification. The simulation results using sodium-water reaction signals showed that it was possible to determine the leak at above -3dB of SNR, while between -3 dB and -10 dB of SNR the logics determined the leak symptom identification. The detection sensitivity can be enhanced

Maillard reaction versus other nonenzymatic modifications in neurodegenerative processes.

Science.gov (United States)

Pamplona, Reinald; Ilieva, Ekaterina; Ayala, Victoria; Bellmunt, Maria Josep; Cacabelos, Daniel; Dalfo, Esther; Ferrer, Isidre; Portero-Otin, Manuel

2008-04-01

Nonenzymatic protein modifications are generated from direct oxidation of amino acid side chains and from reaction of the nucleophilic side chains of specific amino acids with reactive carbonyl species. These reactions give rise to specific markers that have been analyzed in different neurodegenerative diseases sharing protein aggregation, such as Alzheimer's disease, Pick's disease, Parkinson's disease, dementia with Lewy bodies, Creutzfeldt-Jakob disease, and amyotrophic lateral sclerosis. Collectively, available data demonstrate that oxidative stress homeostasis, mitochondrial function, and energy metabolism are key factors in determining the disease-specific pattern of protein molecular damage. In addition, these findings suggest the lack of a "gold marker of oxidative stress," and, consequently, they strengthen the need for a molecular dissection of the nonenzymatic reactions underlying neurodegenerative processes.

Design methodology for bio-based processing: Biodiesel and fatty alcohol production

DEFF Research Database (Denmark)

Simasatikul, Lida; Arpornwichanop, Amornchai; Gani, Rafiqul

2012-01-01

A systematic design methodology is developed for producing two main products plus side products starting with one or more bio-based renewable source. A superstructure that includes all possible reaction and separation operations is generated through thermodynamic insights and available data. The ....... Economic analysis and net present value are determined to find the best economically and operationally feasible process. The application of the methodology is presented through a case study involving biodiesel and fatty alcohol productions....

METHANE STEAM REACTION OVER NICKEL CATALYSTS IN THE HYNOL PROCESS

Science.gov (United States)

The report discusses the reaction of methane-steam over nickel catalysts in the Hynol process, a process that uses biomass and natural gas as feedstocks to maximize methanol yields and minimize greenhouse gas emissions. EPA's APPCD has established a laboratory in which to conduct...

Design of Nanomaterial Synthesis by Aerosol Processes

Science.gov (United States)

Buesser, Beat; Pratsinis, Sotiris E.

2013-01-01

Aerosol synthesis of materials is a vibrant field of particle technology and chemical reaction engineering. Examples include the manufacture of carbon blacks, fumed SiO2, pigmentary TiO2, ZnO vulcanizing catalysts, filamentary Ni, and optical fibers, materials that impact transportation, construction, pharmaceuticals, energy, and communications. Parallel to this, development of novel, scalable aerosol processes has enabled synthesis of new functional nanomaterials (e.g., catalysts, biomaterials, electroceramics) and devices (e.g., gas sensors). This review provides an access point for engineers to the multiscale design of aerosol reactors for the synthesis of nanomaterials using continuum, mesoscale, molecular dynamics, and quantum mechanics models spanning 10 and 15 orders of magnitude in length and time, respectively. Key design features are the rapid chemistry; the high particle concentrations but low volume fractions; the attainment of a self-preserving particle size distribution by coagulation; the ratio of the characteristic times of coagulation and sintering, which controls the extent of particle aggregation; and the narrowing of the aggregate primary particle size distribution by sintering. PMID:22468598

URDME: a modular framework for stochastic simulation of reaction-transport processes in complex geometries.

Science.gov (United States)

Drawert, Brian; Engblom, Stefan; Hellander, Andreas

2012-06-22

Experiments in silico using stochastic reaction-diffusion models have emerged as an important tool in molecular systems biology. Designing computational software for such applications poses several challenges. Firstly, realistic lattice-based modeling for biological applications requires a consistent way of handling complex geometries, including curved inner- and outer boundaries. Secondly, spatiotemporal stochastic simulations are computationally expensive due to the fast time scales of individual reaction- and diffusion events when compared to the biological phenomena of actual interest. We therefore argue that simulation software needs to be both computationally efficient, employing sophisticated algorithms, yet in the same time flexible in order to meet present and future needs of increasingly complex biological modeling. We have developed URDME, a flexible software framework for general stochastic reaction-transport modeling and simulation. URDME uses Unstructured triangular and tetrahedral meshes to resolve general geometries, and relies on the Reaction-Diffusion Master Equation formalism to model the processes under study. An interface to a mature geometry and mesh handling external software (Comsol Multiphysics) provides for a stable and interactive environment for model construction. The core simulation routines are logically separated from the model building interface and written in a low-level language for computational efficiency. The connection to the geometry handling software is realized via a Matlab interface which facilitates script computing, data management, and post-processing. For practitioners, the software therefore behaves much as an interactive Matlab toolbox. At the same time, it is possible to modify and extend URDME with newly developed simulation routines. Since the overall design effectively hides the complexity of managing the geometry and meshes, this means that newly developed methods may be tested in a realistic setting already at

Reaction time, processing speed and sustained attention in schizophrenia: impact on social functioning.

Science.gov (United States)

Lahera, Guillermo; Ruiz, Alicia; Brañas, Antía; Vicens, María; Orozco, Arantxa

Previous studies have linked processing speed with social cognition and functioning of patients with schizophrenia. A discriminant analysis is needed to determine the different components of this neuropsychological construct. This paper analyzes the impact of processing speed, reaction time and sustained attention on social functioning. 98 outpatients between 18 and 65 with DSM-5 diagnosis of schizophrenia, with a period of 3 months of clinical stability, were recruited. Sociodemographic and clinical data were collected, and the following variables were measured: processing speed (Trail Making Test [TMT], symbol coding [BACS], verbal fluency), simple and elective reaction time, sustained attention, recognition of facial emotions and global functioning. Processing speed (measured only through the BACS), sustained attention (CPT) and elective reaction time (but not simple) were associated with functioning. Recognizing facial emotions (FEIT) correlated significantly with scores on measures of processing speed (BACS, Animals, TMT), sustained attention (CPT) and reaction time. The linear regression model showed a significant relationship between functioning, emotion recognition (P=.015) and processing speed (P=.029). A deficit in processing speed and facial emotion recognition are associated with worse global functioning in patients with schizophrenia. Copyright © 2017 SEP y SEPB. Publicado por Elsevier España, S.L.U. All rights reserved.

Designing future learning. A posthumanist approach to researching design processes

DEFF Research Database (Denmark)

Juelskjær, Malou

I investigate how a design process – leading up to the design of a new education building - enact, transform and highlight tacit everyday practices and experiences in an education setting, whereby becoming an art of managing. I apply a post-humanist performative perspective, highlighting entangled...... agencies rather than focusing on human agency. I focus on the design process rather than the designer. The design process accelerated and performed past and future experiences of schooling, learning, teaching. This called for analytical attention to agential forces of not only the material but also...... and temporalities matter in design processes. Furthermore, the analysis emphasise how design translate affective economies and that attention to those affective economies are vital for the result of the design process....

Exploring dissipative processes at high angular momentum in 58Ni+60Ni reactions

Directory of Open Access Journals (Sweden)

Williams E.

2016-01-01

Full Text Available Current coupled channels (CC models treat fusion as a coherent quantum-mechanical process, in which coupling between the collective states of the colliding nuclei influences the probability of fusion in near-barrier reactions. While CC models have been used to successfully describe many experimental fusion barrier distribution (BD measurements, the CC approach has failed in the notable case of 16O+208Pb. The reason for this is poorly understood; however, it has been postulated that dissipative processes may play a role. Traditional BD experiments can only probe the physics of fusion for collisions at the top of the Coulomb barrier (L = 0ħ. In this work, we will present results using a novel method of probing dissipative processes inside the Coulomb barrier. The method exploits the predicted sharp onset of fission at L ~ 60ħ for reactions forming compound nuclei with A < 160. Using the ANU’s 14UD tandem accelerator and CUBE spectrometer, reaction outcomes have been measured for the 58Ni+60Ni reaction at a range of energies, in order to explore dissipative processes at high angular momentum. In this reaction, deep inelastic processes have been found to set in before the onset fission at high angular momentum following fusion. The results will be discussed in relation to the need for a dynamical model of fusion.

Effect of reaction solvent on hydroxyapatite synthesis in sol-gel process

Science.gov (United States)

Nazeer, Muhammad Anwaar; Yilgor, Emel; Yagci, Mustafa Baris; Unal, Ugur; Yilgor, Iskender

2017-12-01

Synthesis of hydroxyapatite (HA) through sol-gel process in different solvent systems is reported. Calcium nitrate tetrahydrate (CNTH) and diammonium hydrogen phosphate (DAHP) were used as calcium and phosphorus precursors, respectively. Three different synthesis reactions were carried out by changing the solvent media, while keeping all other process parameters constant. A measure of 0.5 M aqueous DAHP solution was used in all reactions while CNTH was dissolved in distilled water, tetrahydrofuran (THF) and N,N-dimethylformamide (DMF) at a concentration of 0.5 M. Ammonia solution (28-30%) was used to maintain the pH of the reaction mixtures in the 10-12 range. All reactions were carried out at 40 ± 2°C for 4 h. Upon completion of the reactions, products were filtered, washed and calcined at 500°C for 2 h. It was clearly demonstrated through various techniques that the dielectric constant and polarity of the solvent mixture strongly influence the chemical structure and morphological properties of calcium phosphate synthesized. Water-based reaction medium, with highest dielectric constant, mainly produced β-calcium pyrophosphate (β-CPF) with a minor amount of HA. DMF/water system yielded HA as the major phase with a very minor amount of β-CPF. THF/water solvent system with the lowest dielectric constant resulted in the formation of pure HA.

DE based economic control chart design and application for a typical petrochemical process

Institute of Scientific and Technical Information of China (English)

Zhi LI; Feng QIAN; Wenli DU; Weimin ZHONG

2017-01-01

Petrochemical industry plays an important role in the development of the national economy.Purified terephthalic acid (PTA) is one of the most important intermediate raw materials in the petrochemical and chemical fiber industries.PTA production has two parts:p-xylene (PX) oxidation process and crude terephthalic acid (CTA) hydropurification process.The CTA hydropurification process is used to reduce impurities,such as 4-carboxybenzaldehyde,which is produced by a side reaction in the PX oxidation process and is harmful to the polyester industry.From the safety and economic viewpoints,monitoring this process is necessary.Four main faults of this process are analyzed in this study.The common process monitoring methods always use T2 and SPE statistic as control limits.However,the traditional methods do not fully consider the economic viewpoint.In this study,a new economic control chart design method based on the differential evolution (DE) algorithm is developed.The DE algorithm transforms the economic control chart design problem to an optimization problem and is an excellent solution to such problem.Case studies of the main faults of the hydropurification process indicate that the proposed method can achieve minimum profit loss.This method is useful in economic control chart design and can provide guidance for the petrochemical industry.

Solvent engineering and other reaction design methods for favouring enzyme-catalysed synthesis

DEFF Research Database (Denmark)

Zeuner, Birgitte

. However, both FAEs catalysed the feruloylation and/or sinapoylation of solvent cation C2OHMIm+, thus underlining the broad acceptor specificity of FAEs and their potential for future solvent reactions. An engineered sialidase from Trypanosoma rangeli, Tr6, catalyses trans-sialylation but the yield......This thesis investigates different methods for improving reaction yields of enzyme-catalysed synthesis reactions. These methods include the use of non-conventional media such as ionic liquids (ILs) and organic solvents as main solvents or as co-solvents as well as the use of more classical reaction...... design methods, i.e. enzyme immobilization and the use of an enzymatic membrane reactor. Two different enzyme classes, namely feruloyl esterases (FAEs) and sialidases are employed. Using sinapoylation of glycerol as a model reaction it was shown that both the IL anion nature and the FAE structure were...

Reengineering the Project Design Process

Science.gov (United States)

Casani, E.; Metzger, R.

1994-01-01

In response to NASA's goal of working faster, better and cheaper, JPL has developed extensive plans to minimize cost, maximize customer and employee satisfaction, and implement small- and moderate-size missions. These plans include improved management structures and processes, enhanced technical design processes, the incorporation of new technology, and the development of more economical space- and ground-system designs. The Laboratory's new Flight Projects Implementation Office has been chartered to oversee these innovations and the reengineering of JPL's project design process, including establishment of the Project Design Center and the Flight System Testbed. Reengineering at JPL implies a cultural change whereby the character of its design process will change from sequential to concurrent and from hierarchical to parallel. The Project Design Center will support missions offering high science return, design to cost, demonstrations of new technology, and rapid development. Its computer-supported environment will foster high-fidelity project life-cycle development and cost estimating.

Alpha-induced reaction cross section measurements on 151Eu for the astrophysical γ-process

International Nuclear Information System (INIS)

Gyuerky, Gy.; Elekes, Z.; Farkas, J.; Fueloep, Zs.; Halasz, Z.; Kiss, G.G.; Somorjai, E.; Szuecs, T.; Gueraya, R.T.; Oezkana, N.

2010-01-01

Compete text of publication follows. The astrophysical γ-process is the main production mechanism of the p-isotopes, the heavy, proton-rich nuclei not produced by neutron capture reactions in the astrophysical sand r-processes. The γ-process is a poorly known process of nucleosynthesis, the models are not able to reproduce well the p-isotope abundances observed in nature. Experimental data on nuclear reactions involved in γ-process reaction networks are clearly needed to provide input for a more reliable γ-process network calculation. As a continuation of our systematic study of reactions relevant for the γ-process, the cross sections of the 151 Eu(α, γ) 155 Tb and 151 Eu(α,n) 154 Tb reactions have been measured. These reactions have been chosen because α-induced cross section data in the region of heavy p-isotopes are almost completely missing although the calculations show a strong influence of these cross section on the resulting abundances. Since the reaction products of both reactions are radioactive, the cross sections have been measured using the activation technique. The targets have been prepared by evaporating Eu 2 O 3 enriched to 99.2% in 151 Eu onto thin Al foils. The target thicknesses have been measured by weighing and Rutherford Backscattering Spectroscopy. The targets have been irradiated by typically 1-2 μA intensity α-beams from the cyclotron of ATOMKI. The investigated energy range between 12 and 17 MeV was covered with 0.5 MeV steps. This energy range is somewhat higher than the astrophysically relevant one, but the cross section at astrophysical energies is so low that the measurements are not possible there. The γ- activity of the reaction products has been measured by a shielded HPGe detector. The absolute efficiency of the detector was measured with several calibration sources. Since 154 Tb has two long lived isomeric states, partial cross sections of the 151 Eu(α,n) 154 Tb reaction leading to the ground and isomeric states

Sodium-Water Reaction approach and mastering for ASTRID Steam Generator design

International Nuclear Information System (INIS)

Saez, Manuel; Allou, Alexandre; Beauchamp, François; Bertrand, Carole; Rodriguez, Gilles; Menou, Sylvain; Prele, Gérard

2013-01-01

Conclusions: • Modular Steam Generator concept selected for ASTRID: → Brings flexibility for the expertise of failed modules after their removal; → Intrinsically limit the mechanical consequences of a postulated large Sodium-Water Reaction. • Sodium-Water-Air Reaction studies include both prevention and mitigation aspects, with dedicated tools to be developed through R&D. • Regarding Safety analysis, the possibility to move from the scenario of instantaneous failure of the whole Steam Generator tube bundle toward a scenario with sequenced failure needs to be investigated. • The Steam Generator is one of the key components in the Sodium-cooled Fast Reactor system for it provides an interface between sodium and water. The design objective for the Steam Generator is related to the improvement of mastering of Sodium-Water Reaction. • Potential Sodium-Water Reactions can be eliminated by adopting a Gas based Power Conversion System

Engineered Alloy Structures by Friction Stir Reaction Processing, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — This SBIR Phase I effort examines the feasibility of an innovative surface modification technology incorporating friction stir reaction processing for producing...

Design Thinking in Elementary Students' Collaborative Lamp Designing Process

Science.gov (United States)

Kangas, Kaiju; Seitamaa-Hakkarainen, Pirita; Hakkarainen, Kai

2013-01-01

Design and Technology education is potentially a rich environment for successful learning, if the management of the whole design process is emphasised, and students' design thinking is promoted. The aim of the present study was to unfold the collaborative design process of one team of elementary students, in order to understand their multimodal…

Valid knowledge for the professional design of large and complex design processes

NARCIS (Netherlands)

Aken, van J.E.

2004-01-01

The organization and planning of design processes, which we may regard as design process design, is an important issue. Especially for large and complex design-processes traditional approaches to process design may no longer suffice. The design literature gives quite some design process models. As

Very high intensity reaction chamber design

International Nuclear Information System (INIS)

Devaney, J.J.

1975-09-01

The problem of achieving very high intensity irradiation by light in minimal regions was studied. Three types of irradiation chamber are suggested: the common laser-reaction chamber, the folded concentric or near-concentric resonator, and the asymmetric confocal resonator. In all designs the ratio of high-intensity illuminated volume to other volume is highly dependent (to the 3 / 2 power) on the power and fluence tolerances of optical elements, primarily mirrors. Optimization of energy coupling is discussed for the common cavity. For the concentric cavities, optimization for both coherent and incoherent beams is treated. Formulae and numerical examples give the size of chambers, aspect ratios, maximum pass number, image sizes, fluences, and the like. Similarly for the asymmetric confocal chamber, formulae and numerical examples for fluences, dimensions, losses, and totally contained pass numbers are given

Removal of azo dye using Fenton and Fenton-like processes: Evaluation of process factors by Box-Behnken design and ecotoxicity tests.

Science.gov (United States)

Fernandes, Neemias Cintra; Brito, Lara Barroso; Costa, Gessyca Gonçalves; Taveira, Stephânia Fleury; Cunha-Filho, Marcílio Sérgio Soares; Oliveira, Gisele Augusto Rodrigues; Marreto, Ricardo Neves

2018-06-06

The conventional treatment of textile effluents is usually inefficient in removing azo dyes and can even generate more toxic products than the original dyes. The aim of the present study was to optimize the process factors in the degradation of Disperse Red 343 by Fenton and Fenton-like processes, as well as to investigate the ecotoxicity of the samples treated under optimized conditions. A Box-Behnken design integrated with the desirability function was used to optimize dye degradation, the amount of residual H 2 O 2 [H 2 O 2residual ], and the ecotoxicity of the treated samples (lettuce seed, Artemia salina, and zebrafish in their early-life stages). Dye degradation was affected only by catalyst concentration [Fe] in both the Fenton and Fenton-like processes. In the Fenton reaction, [H 2 O 2residual ] was significantly affected by initial [H 2 O 2 ] and its interaction with [Fe]; however, in the Fenton-like reaction, it was affected by initial [H 2 O 2 ] only. A. salina mortality was affected by different process factors in both processes, which suggests the formation of different toxic products in each process. The desirability function was applied to determine the best process parameters and predict the responses, which were confirmed experimentally. Optimal conditions facilitated the complete degradation of the dye without [H 2 O 2residual ] or toxicity for samples treated with the Fenton-like process, whereas the Fenton process induced significant mortality for A. salina. Results indicate that the Fenton-like process is superior to the Fenton reaction to degrade Disperse Red 343. Copyright © 2018 Elsevier B.V. All rights reserved.

[Optimization of process of icraiin be hydrolyzed to Baohuoside I by cellulase based on Plackett-Burman design combined with CCD response surface methodology].

Science.gov (United States)

Song, Chuan-xia; Chen, Hong-mei; Dai, Yu; Kang, Min; Hu, Jia; Deng, Yun

2014-11-01

To optimize the process of Icraiin be hydrolyzed to Baohuoside I by cellulase by Plackett-Burman design combined with Central Composite Design (CCD) response surface methodology. To select the main influencing factors by Plackett-Burman design, using CCD response surface methodology to optimize the process of Icraiin be hydrolyzed to Baohuoside I by cellulase. Taking substrate concentration, the pH of buffer and reaction time as independent variables, with conversion rate of icariin as dependent variable,using regression fitting of completely quadratic response surface between independent variable and dependent variable,the optimum process of Icraiin be hydrolyzed to Baohuoside I by cellulase was intuitively analyzed by 3D surface chart, and taking verification tests and predictive analysis. The best enzymatic hydrolytic process was as following: substrate concentration 8. 23 mg/mL, pH 5. 12 of buffer,reaction time 35. 34 h. The optimum process of Icraiin be hydrolyzed to Baohuoside I by cellulase is determined by Plackett-Burman design combined with CCD response surface methodology. The optimized enzymatic hydrolytic process is simple, convenient, accurate, reproducible and predictable.

Application of Safeguards-by-Design to a Reactor Design Process

International Nuclear Information System (INIS)

Whitlock, J.J.

2010-01-01

The application of 'Safeguards-by-Design' (SBD) to a reactor design process is described. The SBD concept seeks to improve the efficiency and effectiveness of IAEA safeguards by incorporating the needs of safeguards at an early stage of reactor design. Understanding and accommodating safeguards in the design process requires a set of 'design requirements for safeguards'; however, such requirements (a) do not traditionally exist, and (b) must exist alongside other more traditional design requirements based upon compliance and operational goals. In the absence of design requirements, a 'Design Guide' for safeguards was created, consisting of recommendations based on best practices. To acquire an understanding of safeguards requirements at the design level, a systematic accounting of diversion pathways was required. However, because of the crowded field of other design requirements, this process needed a methodology that was also flexible in interpretation. The GenIV Proliferation Resistance and Physical Protection (PR and PP) methodology (Rev.5, 2005) was chosen for this exercise. The PR and PP methodology is a general approach and therefore it was necessary to restrict its application; in effect, turning 'off' various options so as to simplify the process. The results of this exercise were used to stimulate discussions with the design team and initiate changes that accommodate safeguards without negatively impacting other design requirements. The process yielded insights into the effective application of SBD, and highlighted issues that must be resolved for effective incorporation of an 'SBD culture' within the design process. (author)

Critical regimes driven by recurrent mobility patterns of reaction-diffusion processes in networks

Science.gov (United States)

Gómez-Gardeñes, J.; Soriano-Paños, D.; Arenas, A.

2018-04-01

Reaction-diffusion processes1 have been widely used to study dynamical processes in epidemics2-4 and ecology5 in networked metapopulations. In the context of epidemics6, reaction processes are understood as contagions within each subpopulation (patch), while diffusion represents the mobility of individuals between patches. Recently, the characteristics of human mobility7, such as its recurrent nature, have been proven crucial to understand the phase transition to endemic epidemic states8,9. Here, by developing a framework able to cope with the elementary epidemic processes, the spatial distribution of populations and the commuting mobility patterns, we discover three different critical regimes of the epidemic incidence as a function of these parameters. Interestingly, we reveal a regime of the reaction-diffussion process in which, counter-intuitively, mobility is detrimental to the spread of disease. We analytically determine the precise conditions for the emergence of any of the three possible critical regimes in real and synthetic networks.

Assessing Process Mass Intensity and Waste via an "aza"-Baylis-Hillman Reaction

Science.gov (United States)

Go´mez-Biagi, Rodolfo F.; Dicks, Andrew P.

2015-01-01

A synthetic procedure is outlined where upper-level undergraduate organic chemistry students perform a two-week, semimicroscale "aza"-Baylis-Hillman reaction to generate an allylic sulfonamide product. Students evaluate several green chemistry reaction metrics of industrial importance (process mass intensity (PMI), E factor, and reaction…

The reaction mechanism for dehydration process catalyzed by type I dehydroquinate dehydratase from Gram-negative Salmonella enterica

Science.gov (United States)

Yao, Yuan; Li, Ze-Sheng

2012-01-01

The fundamental reaction mechanism for the dehydration process catalyzed by type I dehydroquinate dehydratase from Gram-negative Salmonella enterica has been studied by density functional theory calculations. The results indicate that the dehydration process undergoes a two-step cis-elimination mechanism, which is different from the previously proposed one. The catalytic roles of both the highly conserved residue His143 and the Schiff base formed between the substrate and Lys170 have also been elucidated. The structural and mechanistic insight presented here may direct the design of type I dehydroquinate dehydratase enzyme inhibitors as non-toxic antimicrobials, anti-fungals, and herbicides.

Design of a fusion reaction-history measurement system with high temporal resolution

International Nuclear Information System (INIS)

Peng Xiaoshi; Wang Feng; Liu Shenye; Jiang Xiaohua; Tang Qi

2010-01-01

In order to accurately measure the history of fusion reaction for experimental study of inertial confinement fusion, we advance the design of a fusion reaction-history measurement system with high temporal resolution. The diagnostic system is composed of plastic scintillator and nose cone, an optical imaging system and the system of optic streak camera. Analyzing the capability of the system indicated that the instrument measured fusion reaction history at temporal resolution as low as 55ps and 40ps correspond to 2.45MeV DD neutrons and 14.03MeV DT neutrons. The instrument is able to measure the fusion reaction history at yields 1.5 x 10 9 DD neutrons, about 4 x 10 8 DT neutrons are required for a similar quality signal. (authors)

Requirements for design of accelerator, beam transport, and target in a study of thermonuclear reaction cross section

Energy Technology Data Exchange (ETDEWEB)

Itahashi, T.; Takahisa, K.; Ohsumi, H.; Komori, M.; Fujiwara, M.; Toki, H. [Osaka Univ., Suita (Japan)

1997-02-01

The process of pp-de{sup +}{nu} is the basic fusion reaction for hydrogen burning in the sun and the prime reaction in chain producing photons and neutrinos. There are many works of the theoretical estimation of the reaction rate in the reaction chain in the sun. The precise measurement of the nutrinos from the sun is one of the most important current physics issues. The rate of the pp-de{sup +}{nu} is too small to be measured in laboratories. The construction of a compact ion accelerator facility with high current, low energy transport and plasma target is planned at the underground laboratory in Otoh Cosmo Observatory of Research Center for Nuclear Physics. The plasma target by using the EBIS type synthesized plasma was proposed as a bare {sup 3}He target. The production of helium ions of each charge state was tested by using the present NEOMAFIOS ECR ion source, and the obtained current is shown. For noncontaminated, high current beam transport, the strong focusing system was introduced. The design of windowless gas target, plasma target, the detection of the energetic reaction particles of protons, digital calorimeter, the couple of ECR ion source and plasma target, and the underground laboratory are reported. (K.I.)

MRI of chemical reactions and processes.

Science.gov (United States)

Britton, Melanie M

2017-08-01

As magnetic resonance imaging (MRI) can spatially resolve a wealth of molecular information available from nuclear magnetic resonance (NMR), it is able to non-invasively visualise the composition, properties and reactions of a broad range of spatially-heterogeneous molecular systems. Hence, MRI is increasingly finding applications in the study of chemical reactions and processes in a diverse range of environments and technologies. This article will explain the basic principles of MRI and how it can be used to visualise chemical composition and molecular properties, providing an overview of the variety of information available. Examples are drawn from the disciplines of chemistry, chemical engineering, environmental science, physics, electrochemistry and materials science. The review introduces a range of techniques used to produce image contrast, along with the chemical and molecular insight accessible through them. Methods for mapping the distribution of chemical species, using chemical shift imaging or spatially-resolved spectroscopy, are reviewed, as well as methods for visualising physical state, temperature, current density, flow velocities and molecular diffusion. Strategies for imaging materials with low signal intensity, such as those containing gases or low sensitivity nuclei, using compressed sensing, para-hydrogen or polarisation transfer, are discussed. Systems are presented which encapsulate the diversity of chemical and physical parameters observable by MRI, including one- and two-phase flow in porous media, chemical pattern formation, phase transformations and hydrodynamic (fingering) instabilities. Lastly, the emerging area of electrochemical MRI is discussed, with studies presented on the visualisation of electrochemical deposition and dissolution processes during corrosion and the operation of batteries, supercapacitors and fuel cells. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

Modelling of chemical reactions in metallurgical processes

OpenAIRE

Kinaci, M. Efe; Lichtenegger, Thomas; Schneiderbauer, Simon

2017-01-01

Iron-ore reduction has attracted much interest in the last three decades since it can be considered as a core process in steel industry. The iron-ore is reduced to iron with the use of blast furnace and fluidized bed technologies. To investigate the harsh conditions inside fluidized bed reactors, computational tools can be utilized. One such tool is the CFD-DEM method, in which the gas phase reactions and governing equations are calculated in the Eulerian (CFD) side, whereas the particle reac...

Neutrino-induced charged-current reaction rates for r-process nuclei

CERN Document Server

Langanke, K

2001-01-01

Neutrino-induced reactions play an important role during and after the r-process if it occurs in an environment with extreme neutrino fluxes, as in the neutrino-driven wind model or neutron star mergers. The neutrino reactions can excite the daughter nucleus above the neutron threshold, which is quite low for r-process nuclei. Thus the daughter nucleus will decay by emission of one or several neutrons. We have calculated the relevant total (nu sub e , e sup -) cross sections as well as the partial neutron spallation cross sections for r-process nuclei with neutron numbers N=41-135 and proton numbers Z=21-82. The supernova neutrino spectrum is described by a Fermi-Dirac distribution with various temperature parameters between T=2.8 MeV and T=10 MeV and with the degeneracy parameters alpha=0 and alpha=3. Our calculations of the nuclear response are based on the random phase approximation and consider allowed as well as forbidden transitions.

QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins.

Science.gov (United States)

Hayashi, Shigehiko; Uchida, Yoshihiro; Hasegawa, Taisuke; Higashi, Masahiro; Kosugi, Takahiro; Kamiya, Motoshi

2017-05-05

Many remarkable molecular functions of proteins use their characteristic global and slow conformational dynamics through coupling of local chemical states in reaction centers with global conformational changes of proteins. To theoretically examine the functional processes of proteins in atomic detail, a methodology of quantum mechanical/molecular mechanical (QM/MM) free-energy geometry optimization is introduced. In the methodology, a geometry optimization of a local reaction center is performed with a quantum mechanical calculation on a free-energy surface constructed with conformational samples of the surrounding protein environment obtained by a molecular dynamics simulation with a molecular mechanics force field. Geometry optimizations on extensive free-energy surfaces by a QM/MM reweighting free-energy self-consistent field method designed to be variationally consistent and computationally efficient have enabled examinations of the multiscale molecular coupling of local chemical states with global protein conformational changes in functional processes and analysis and design of protein mutants with novel functional properties.

Process for carrying out analyses based on concurrent reactions

Energy Technology Data Exchange (ETDEWEB)

Glover, J S; Shepherd, B P

1980-01-03

The invention refers to a process for carrying out analyses based on concurrent reactions. A part of a compound to be analysed is subjected with a standard quantity of this compound in a labelled form to a common reaction with a standard quantity of a reagent, which must be less than the sum of the two parts of the reacting compound. The parts of the marked reaction compound and the labelled final compound resulting from the concurrence are separated in a tube (e.g. by centrifuging) after forced phase change (precipitation, absorption etc.) and the radio-activity of both phases in contact is measured separately. The shielded measuring device developed for this and suitable for centrifuge tubes of known dimensions is also included in the patent claims. The insulin concentration of a defined serum is measured as an example of the applications of the method (Radioimmunoassay).

Reengineering the project design process

Science.gov (United States)

Kane Casani, E.; Metzger, Robert M.

1995-01-01

In response to the National Aeronautics and Space Administration's goal of working faster, better, and cheaper, the Jet Propulsion Laboratory (JPL) has developed extensive plans to minimize cost, maximize customer and employee satisfaction, and implement small- and moderate-size missions. These plans include improved management structures and processes, enhanced technical design processes, the incorporation of new technology, and the development of more economical space- and ground-system designs. The Laboratory's new Flight Projects Implementation Development Office has been chartered to oversee these innovations and the reengineering of JPL's project design process, including establishment of the Project Design Center (PDC) and the Flight System Testbed (FST). Reengineering at JPL implies a cultural change whereby the character of the Laboratory's design process will change from sequential to concurrent and from hierarchical to parallel. The Project Design Center will support missions offering high science return, design to cost, demonstrations of new technology, and rapid development. Its computer-supported environment will foster high-fidelity project life-cycle development and more accurate cost estimating. These improvements signal JPL's commitment to meeting the challenges of space exploration in the next century.

The Digital Design Process - Reflections on a Single Design Case

NARCIS (Netherlands)

Achten, H.H.; Joosen, G.; Dokonal, W.; Hirschberg, U.

2003-01-01

CAD tools are increasing their expressive and geometric power to enable a design process in which the computer model can be used throughout the whole design process for realizing the design. Such a process, in which other media such as physical scale models or drawings are no longer required by

Exact substitute processes for diffusion-reaction systems with local complete exclusion rules

International Nuclear Information System (INIS)

Schulz, Michael; Reineker, Peter

2005-01-01

Lattice systems with one species diffusion-reaction processes under local complete exclusion rules are studied analytically starting from the usual master equations with discrete variables and their corresponding representation in a Fock space. On this basis, a formulation of the transition probability as a Grassmann path integral is derived in a straightforward manner. It will be demonstrated that this Grassmann path integral is equivalent to a set of Ito stochastic differential equations. Averages of arbitrary variables and correlation functions of the underlying diffusion-reaction system can be expressed as weighted averages over all solutions of the system of stochastic differential equations. Furthermore, these differential equations are equivalent to a Fokker-Planck equation describing the probability distribution of the actual Ito solutions. This probability distribution depends on continuous variables in contrast to the original master equation, and their stochastic dynamics may be interpreted as a substitute process which is completely equivalent to the original lattice dynamics. Especially, averages and correlation functions of the continuous variables are connected to the corresponding lattice quantities by simple relations. Although the substitute process for diffusion-reaction systems with exclusion rules has some similarities to the well-known substitute process for the same system without exclusion rules, there exists a set of remarkable differences. The given approach is not only valid for the discussed single-species processes. We give sufficient arguments to show that arbitrary combinations of unimolecular and bimolecular lattice reactions under complete local exclusions may be described in terms of our approach

Numerical construction of the p(fold) (committor) reaction coordinate for a Markov process.

Science.gov (United States)

Krivov, Sergei V

2011-10-06

To simplify the description of a complex multidimensional dynamical process, one often projects it onto a single reaction coordinate. In protein folding studies, the folding probability p(fold) is an optimal reaction coordinate which preserves many important properties of the dynamics. The construction of the coordinate is difficult. Here, an efficient numerical approach to construct the p(fold) reaction coordinate for a Markov process (satisfying the detailed balance) is described. The coordinate is obtained by optimizing parameters of a chosen functional form to make a generalized cut-based free energy profile the highest. The approach is illustrated by constructing the p(fold) reaction coordinate for the equilibrium folding simulation of FIP35 protein reported by Shaw et al. (Science 2010, 330, 341-346). © 2011 American Chemical Society

Investigations on an environment friendly chemical reaction process (eco-chemistry). 2; Kankyo ni yasashii kagaku hanno process (eko chemistry) ni kansuru chosa. 2

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-03-01

In order to structure a chemical reaction process that does not discharge a large amount of waste by-products or harmful chemical substances, or so-called environment friendly process, investigations and discussions were given based on the results derived in the previous fiscal year. A proposal was made to reduce environmental load on development of oxidized and dehydrogenated catalysts that can produce selectively ethylene, propylene and isobutylene in an oxidation process. In liquid phase oxidation, redox-based oxidation and solid catalyzation of automatic oxidation reaction were enumerated. In acid base catalyst reaction, development of ultra strong solid acid was described to structure no pollution discharging process. In the fine chemical and pharmaceutical fields, the optical active substance method and the position-selective aromatics displacement reaction were evaluated to reduce environmental load. A questionnaire survey performed on major chemical corporations inside and outside the country revealed the following processes as the ones that can cause hidden environmental problems: processes discharging large amount of wastes, processes treating dangerous materials, and processes consuming large amount of energy. Development of catalysts is important that can realize high yield, high selectivity and reactions under mild conditions as a future environment harmonizing chemical process. 117 refs., 23 figs., 22 tabs.

Imperfect Information in Software Design Processes

NARCIS (Netherlands)

Noppen, J.A.R.

2007-01-01

The process of designing high-quality software systems is one of the major issues in software engineering research. Over the years, this has resulted in numerous design methods, each with specific qualities and drawbacks. For example, the Rational Unified Process is a comprehensive design process,

PROPOSAL OF SPATIAL OPTIMIZATION OF PRODUCTION PROCESS IN PROCESS DESIGNER

Directory of Open Access Journals (Sweden)

Peter Malega

2015-03-01

Full Text Available This contribution is focused on optimizing the use of space in the production process using software Process Designer. The aim of this contribution is to suggest possible improvements to the existing layout of the selected production process. Production process was analysed in terms of inputs, outputs and course of actions. Nowadays there are many software solutions aimed at optimizing the use of space. One of these software products is the Process Designer, which belongs to the product line Tecnomatix. This software is primarily aimed at production planning. With Process Designer is possible to design the layout of production and subsequently to analyse the production or to change according to the current needs of the company.

The Maillard reaction and its control during food processing. The potential of emerging technologies.

Science.gov (United States)

Jaeger, H; Janositz, A; Knorr, D

2010-06-01

The Maillard reaction between reducing sugars and amino acids is a common reaction in foods which undergo thermal processing. Desired consequences like the formation of flavor and brown color of some cooked foods but also the destruction of essential amino acids and the production of anti-nutritive compounds require the consideration of the Maillard reaction and relevant mechanisms for its control. This paper aims to exemplify the recent advances in food processing with regard to the controllability of heat-induced changes in the food quality. Firstly, improved thermal technologies, such as ohmic heating, which allows direct heating of the product and overcoming the heat transfer limitations of conventional thermal processing are presented in terms of their applicability to reduce the thermal exposure during food preservation. Secondly, non-thermal technologies such as high hydrostatic pressure and pulsed electric fields and their ability to extend the shelf life of food products without the application of heat, thus also preserving the quality attributes of the food, will be discussed. Finally, an innovative method for the removal of Maillard reaction substrates in food raw materials by the application of pulsed electric field cell disintegration and extraction as well as enzymatic conversion is presented in order to demonstrate the potential of the combination of processes to control the occurrence of the Maillard reaction in food processing. (c) 2009 Elsevier Masson SAS. All rights reserved.

Visual Motion Processing Subserves Faster Visuomotor Reaction in Badminton Players.

Science.gov (United States)

Hülsdünker, Thorben; Strüder, Heiko K; Mierau, Andreas

2017-06-01

Athletes participating in ball or racquet sports have to respond to visual stimuli under critical time pressure. Previous studies used visual contrast stimuli to determine visual perception and visuomotor reaction in athletes and nonathletes; however, ball and racquet sports are characterized by motion rather than contrast visual cues. Because visual contrast and motion signals are processed in different cortical regions, this study aimed to determine differences in perception and processing of visual motion between athletes and nonathletes. Twenty-five skilled badminton players and 28 age-matched nonathletic controls participated in this study. Using a 64-channel EEG system, we investigated visual motion perception/processing in the motion-sensitive middle temporal (MT) cortical area in response to radial motion of different velocities. In a simple visuomotor reaction task, visuomotor transformation in Brodmann area 6 (BA6) and BA4 as well as muscular activation (EMG onset) and visuomotor reaction time (VMRT) were investigated. Stimulus- and response-locked potentials were determined to differentiate between perceptual and motor-related processes. As compared with nonathletes, athletes showed earlier EMG onset times (217 vs 178 ms, P < 0.001), accompanied by a faster VMRT (274 vs 243 ms, P < 0.001). Furthermore, athletes showed an earlier stimulus-locked peak activation of MT (200 vs 182 ms, P = 0.002) and BA6 (161 vs 137 ms, P = 0.009). Response-locked peak activation in MT was later in athletes (-7 vs 26 ms, P < 0.001), whereas no group differences were observed in BA6 and BA4. Multiple regression analyses with stimulus- and response-locked cortical potentials predicted EMG onset (r = 0.83) and VMRT (r = 0.77). The athletes' superior visuomotor performance in response to visual motion is primarily related to visual perception and, to a minor degree, to motor-related processes.

Design of the US-CRBRP sodium/water reaction pressure relief system

International Nuclear Information System (INIS)

Kruger, G.B.; Murdock, T.B.; Rodwell, E.; Sane, J.O.

1976-01-01

Protection against intermediate sodium system overpressure from the sodium/water reaction associated with large leaks within the CRBRP Steam Generators is provided by the sodium/water reaction pressure relief system (SWRPRS). This system consists of rupture disks connected to the intermediate sodium piping adjacent to the inlet to the superheater and outlet from the evaporator modules. The rupture discs relieve into piping that leads to reaction produce separator tanks, which in turn are vented to a centrifugal separator and flare stack arranged to burn hydrogen gas exhausting into the atmosphere. Analyses have been conducted using the TRANSWRAP Computer Code to predict the system pressures and flow rates during the large leak event. Experimental tests to be conducted in the large leak test rig (LLTR) will be used to confirm the analysis techniques used in the design

Engineering design: A cognitive process approach

Science.gov (United States)

Strimel, Greg Joseph

The intent of this dissertation was to identify the cognitive processes used by advanced pre-engineering students to solve complex engineering design problems. Students in technology and engineering education classrooms are often taught to use an ideal engineering design process that has been generated mostly by educators and curriculum developers. However, the review of literature showed that it is unclear as to how advanced pre-engineering students cognitively navigate solving a complex and multifaceted problem from beginning to end. Additionally, it was unclear how a student thinks and acts throughout their design process and how this affects the viability of their solution. Therefore, Research Objective 1 was to identify the fundamental cognitive processes students use to design, construct, and evaluate operational solutions to engineering design problems. Research Objective 2 was to determine identifiers within student cognitive processes for monitoring aptitude to successfully design, construct, and evaluate technological solutions. Lastly, Research Objective 3 was to create a conceptual technological and engineering problem-solving model integrating student cognitive processes for the improved development of problem-solving abilities. The methodology of this study included multiple forms of data collection. The participants were first given a survey to determine their prior experience with engineering and to provide a description of the subjects being studied. The participants were then presented an engineering design challenge to solve individually. While they completed the challenge, the participants verbalized their thoughts using an established "think aloud" method. These verbalizations were captured along with participant observational recordings using point-of-view camera technology. Additionally, the participant design journals, design artifacts, solution effectiveness data, and teacher evaluations were collected for analysis to help achieve the

Design and Control of Glycerol-tert-Butyl Alcohol Etherification Process

Directory of Open Access Journals (Sweden)

Elena Vlad

2012-01-01

Full Text Available Design, economics, and plantwide control of a glycerol-tert-butyl alcohol (TBA etherification plant are presented. The reaction takes place in liquid phase, in a plug flow reactor, using Amberlyst 15 as a catalyst. The products' separation is achieved by two distillation columns where high-purity ethers are obtained and a section involving extractive distillation with 1,4-butanediol as solvent, which separates TBA from the TBA/water azeotrope. Details of design performed in AspenPlus and an economic evaluation of the process are given. Three plantwide control structures are examined using a mass balance model of the plant. The preferred control structure fixes the fresh glycerol flow rate and the ratio glycerol + monoether : TBA at reactor-inlet. The stability and robustness in the operation are checked by rigorous dynamic simulation in AspenDynamics.

Modeling of multiphase flow with solidification and chemical reaction in materials processing

Science.gov (United States)

Wei, Jiuan

Understanding of multiphase flow and related heat transfer and chemical reactions are the keys to increase the productivity and efficiency in industrial processes. The objective of this thesis is to utilize the computational approaches to investigate the multiphase flow and its application in the materials processes, especially in the following two areas: directional solidification, and pyrolysis and synthesis. In this thesis, numerical simulations will be performed for crystal growth of several III-V and II-VI compounds. The effects of Prandtl and Grashof numbers on the axial temperature profile, the solidification interface shape, and melt flow are investigated. For the material with high Prandtl and Grashof numbers, temperature field and growth interface will be significantly influenced by melt flow, resulting in the complicated temperature distribution and curved interface shape, so it will encounter tremendous difficulty using a traditional Bridgman growth system. A new design is proposed to reduce the melt convection. The geometric configuration of top cold and bottom hot in the melt will dramatically reduce the melt convection. The new design has been employed to simulate the melt flow and heat transfer in crystal growth with large Prandtl and Grashof numbers and the design parameters have been adjusted. Over 90% of commercial solar cells are made from silicon and directional solidification system is the one of the most important method to produce multi-crystalline silicon ingots due to its tolerance to feedstock impurities and lower manufacturing cost. A numerical model is developed to simulate the silicon ingot directional solidification process. Temperature distribution and solidification interface location are presented. Heat transfer and solidification analysis are performed to determine the energy efficiency of the silicon production furnace. Possible improvements are identified. The silicon growth process is controlled by adjusting heating power and

SNR-steam generator design with respect to large sodium water reactions

International Nuclear Information System (INIS)

Jong, J.J. de; Kellner, A.; Florie, C.J.L.

1984-01-01

This paper deals with the experiences gained during the licensing procedure for the steam generators for the SNR 300 LMFBR regarding large sodium-water reactions. A description is given of the different calculations executed to investigate the effects of large leaks on the 85 MW helical coiled and straight tube steam generators. The investigations on the helical coiled steam generators are divided in the formulations of fluid behaviour, dynamic force calculations, dynamic response calculation and finally stress analyses. Several results are shown. The investigations on the straight tube steam generators are performed using models describing fluid-structure interaction, coupled with stress analyses. Several results are presented. A description is given of the problems and necessary construction changes during the licensing process. Advises are given for future analyses and design concepts for second generation commercial size LMFBR steam generators with respect to large leaks; based on the experience, gained with SNR 300, and using some new calculations for SNR 2. (author)

System and process for pulsed multiple reaction monitoring

Science.gov (United States)

Belov, Mikhail E

2013-05-17

A new pulsed multiple reaction monitoring process and system are disclosed that uses a pulsed ion injection mode for use in conjunction with triple-quadrupole instruments. The pulsed injection mode approach reduces background ion noise at the detector, increases amplitude of the ion signal, and includes a unity duty cycle that provides a significant sensitivity increase for reliable quantitation of proteins/peptides present at attomole levels in highly complex biological mixtures.

Design of a Gamma Reaction History Diagnostic for the National Ignition Facility

International Nuclear Information System (INIS)

Malone, R.M.; Cox, B.C.; Frogget, B.C.; Kaufman, M.I.; Tunnell, T.W.; Herrmann, H.W.; Evans, S.C.; Mack, J.M; Young, C.S.; Stoeffl, W.

2009-01-01

Gas Cherenkov detectors have been used to convert fusion gammas into photons to achieve gamma reaction history (GRH) measurements. These gas detectors include a converter, pressurized gas volume, relay optics, and a photon detector. A novel design for the National Ignition Facility (NIF) using 90 o Off-Axis Parabolic mirrors efficiently collects signal from fusion gammas with 8-ps time dispersion.1 Fusion gammas are converted to Compton electrons, which generate broadband Cherenkov light (our response is from 250 to 700 nm) in a pressurized gas cell. This light is relayed into a high-speed detector using three parabolic mirrors. The detector optics collect light from a 125-mm-diameter by 600-mm-long interchangeable gas (CO2 or SF6) volume. Because light is collected from source locations throughout the gas volume, the detector is positioned at the stop position rather than at an image position. The stop diameter and its position are independent of the light-generation locations along the gas cell. This design incorporates a fixed time delay that allows the detector to recover from prompt radiation. Optical ray tracings demonstrate how light can be collected from different angled trajectories of the Compton electrons as they traverse the gas volume. A Monte Carlo model of the conversion process from gammas to Cherenkov photons is used to generate photon trajectories. The collection efficiencies for different gamma energies are evaluated. At NIF, a cluster of four channels will allow for increased dynamic range, as well as different gamma energy thresholds. This GRH design is compared to a gas Cherenkov detector that utilizes a Cassegrain reflector now used at the OMEGA laser facility. 1. R. M. Malone, H. W. Herrmann, W. Stoeffl, J. M. Mack, C. S. Young, 'Gamma bang time/reaction history diagnostics for the National Ignition Facility using 90 o off-axis parabolic mirrors', Rev. Sci. Instrum. 79, 10E532 (2008)

Designing Polymerase Chain Reaction (PCR) Primer Multiplexes in the Forensic Laboratory

Science.gov (United States)

Elkins, Kelly M.

2011-01-01

The polymerase chain reaction (PCR) is a common experiment in upper-level undergraduate biochemistry, molecular biology, and forensic laboratory courses as reagents and thermocyclers have become more affordable for institutions. Typically, instructors design PCR primers to amplify the region of interest and the students prepare their samples for…

Materials in Participatory Design Processes

DEFF Research Database (Denmark)

Hansen, Nicolai Brodersen

This dissertation presents three years of academic inquiry into the question of what role materials play in interaction design and participatory design processes. The dissertation aims at developing conceptual tools, based on Deweys pragmatism, for understanding how materials aid design reflection....... It has been developed using a research-through-design approach in which the author has conducted practical design work in order to investigate and experiment with using materials to scaffold design inquiry. The results of the PhD work is submitted as seven separate papers, submitted to esteemed journals...... and conferences within the field of interaction design and HCI. The work is motivated both by the growing interest in materials in interaction design and HCI and the interest in design processes and collaboration within those fields. At the core of the dissertation lies an interest in the many different materials...

External designers in product design processes of small manufacturing firms

NARCIS (Netherlands)

Berends, Hans; Reymen, Isabelle; Stultiëns, Rutger G L; Peutz, Murk

Small manufacturing firms often fail to reap the benefits of good design practices. This study investigates how the involvement of external designers influences the evolution of product design processes in small manufacturing firms. Qualitative and quantitative process research methods were used to

Rational design of competitive electrocatalysts for the oxygen reduction reaction in hydrogen fuel cells

Science.gov (United States)

Stolbov, Sergey; Alcántara Ortigoza, Marisol

2012-02-01

The large-scale application of one of the most promising clean and renewable sources of energy, hydrogen fuel cells, still awaits efficient and cost-effective electrocatalysts for the oxygen reduction reaction (ORR) occurring on the cathode. We demonstrate that truly rational design renders electrocatalysts possessing both qualities. By unifying the knowledge on surface morphology, composition, electronic structure and reactivity, we solve that sandwich-like structures are an excellent choice for optimization. Their constituting species couple synergistically yielding reaction-environment stability, cost-effectiveness and tunable reactivity. This cooperative-action concept enabled us to predict two advantageous ORR electrocatalysts. Density functional theory calculations of the reaction free-energy diagrams confirm that these materials are more active toward ORR than the so far best Pt-based catalysts. Our designing concept advances also a general approach for engineering materials in heterogeneous catalysis.

Biomimetic design processes in architecture: morphogenetic and evolutionary computational design

International Nuclear Information System (INIS)

Menges, Achim

2012-01-01

Design computation has profound impact on architectural design methods. This paper explains how computational design enables the development of biomimetic design processes specific to architecture, and how they need to be significantly different from established biomimetic processes in engineering disciplines. The paper first explains the fundamental difference between computer-aided and computational design in architecture, as the understanding of this distinction is of critical importance for the research presented. Thereafter, the conceptual relation and possible transfer of principles from natural morphogenesis to design computation are introduced and the related developments of generative, feature-based, constraint-based, process-based and feedback-based computational design methods are presented. This morphogenetic design research is then related to exploratory evolutionary computation, followed by the presentation of two case studies focusing on the exemplary development of spatial envelope morphologies and urban block morphologies. (paper)

Formal analysis of design process dynamics

NARCIS (Netherlands)

Bosse, T.; Jonker, C.M.; Treur, J.

2010-01-01

This paper presents a formal analysis of design process dynamics. Such a formal analysis is a prerequisite to come to a formal theory of design and for the development of automated support for the dynamics of design processes. The analysis was geared toward the identification of dynamic design

Formal Analysis of Design Process Dynamics

NARCIS (Netherlands)

Bosse, T.; Jonker, C.M.; Treur, J.

2010-01-01

This paper presents a formal analysis of design process dynamics. Such a formal analysis is a prerequisite to come to a formal theory of design and for the development of automated support for the dynamics of design processes. The analysis was geared toward the identification of dynamic design

Energy dissipation in the process of ternary fission in heavy nuclear reaction

International Nuclear Information System (INIS)

Li Xian; Wang Chengqian; Yan Shiwei

2015-01-01

We studied the evolution of the collective motion, interaction potential, the total kinetic and excitation energies in ternary fissions of 197 Au + 197 Au system at 15 MeV/u, and discussed energy dissipation of this reaction. Through the comparison with energy-angle correlation data in binary fissions, we preliminarily concluded that the rst fission of ternary fission was an extreme deep-inelastic process. We further analyzed the correlation of the total kinetic energy with impact parameters in both binary and ternary reactions, and found that the total energy of binary reactions systems was lost about 150 MeV more than ternary fission with small impact parameters, and with larger impact parameters the total energy of ternary reactions were lost 300 MeV more than binary reactions. (authors)

Cintichem modified process - {sup 99}Mo precipitation step: application of statistical analysis tools over the reaction parameters

Energy Technology Data Exchange (ETDEWEB)

Teodoro, Rodrigo; Dias, Carla R.B.R.; Osso Junior, Joao A., E-mail: jaosso@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Fernandez Nunez, Eutimio Gustavo [Universidade de Sao Paulo (EP/USP), SP (Brazil). Escola Politecnica. Dept. de Engenharia Quimica

2011-07-01

Precipitation of {sup 99}Mo by {alpha}-benzoin oxime ({alpha}-Bz) is a standard precipitation method for molybdenum due the high selectivity of this agent. Nowadays, statistical analysis tools have been employed in analytical systems to prove its efficiency and feasibility. IPEN has a project aiming the production of {sup 99}Mo by the fission of {sup 235}U route. The processing uses as the first step the precipitation of {sup 99}Mo with {alpha}-Bz. This precipitation step involves many key reaction parameters. The aim of this work is based on the development of the already known acidic route to produce {sup 99}Mo as well as the optimization of the reactional parameters applying statistical tools. In order to simulate {sup 99}Mo precipitation, the study was conducted in acidic media using HNO{sub 3}, {alpha}Bz as precipitant agent and NaOH /1%H{sub 2}O{sub 2} as dissolver solution. Then, a Mo carrier, KMnO{sub 4} solutions and {sup 99}Mo tracer were added to the reaction flask. The reactional parameters ({alpha}-Bz/Mo ratio, Mo carrier, reaction time and temperature, and cooling reaction time before filtration) were evaluated under a fractional factorial design of resolution V. The best values of each reactional parameter were determined by a response surface statistical planning. The precipitation and recovery yields of {sup 99}Mo were measured using HPGe detector. Statistical analysis from experimental data suggested that the reactional parameters {alpha}-Bz/Mo ratio, reaction time and temperature have a significant impact on {sup 99}Mo precipitation. Optimization statistical planning showed that higher {alpha}Bz/Mo ratios, room temperature, and lower reaction time lead to higher {sup 99}Mo yields. (author)

Implementing The Safeguards-By-Design Process

International Nuclear Information System (INIS)

Whitaker, J. Michael; McGinnis, Brent; Laughter, Mark D.; Morgan, Jim; Bjornard, Trond; Bean, Robert; Durst, Phillip; Hockert, John; DeMuth, Scott; Lockwood, Dunbar

2010-01-01

The Safeguards-by-Design (SBD) approach incorporates safeguards into the design and construction of nuclear facilities at the very beginning of the design process. It is a systematic and structured approach for fully integrating international and national safeguards for material control and accountability (MC and A), physical protection, and other proliferation barriers into the design and construction process for nuclear facilities. Implementing SBD is primarily a project management or project coordination challenge. This paper focuses specifically on the design process; the planning, definition, organization, coordination, scheduling and interaction of the safeguards experts and stakeholders as they participate in the design and construction of a nuclear facility. It delineates the steps in a nuclear facility design and construction project in order to provide the project context within which the safeguards design activities take place, describes the involvement of the safeguards experts in the design process, the nature of their analyses, interactions and decisions, and describes the documents created and how they are used. This report highlights the project context of safeguards activities, and identifies the safeguards community (nuclear facility operator, designer/builder, state regulator, SSAC and IAEA) must accomplish in order to implement SBD within the project.

Initial design process of the repository

International Nuclear Information System (INIS)

Osmanlioglu, A.E.

2001-01-01

The concept of the final disposal of high level wastes is to isolate the waste from the biosphere for extremely long periods of time by emplacement of wastes into deep stable geological formations. Several geological formations have been considered as candidate host environments for high level waste disposal and several techniques have been developed for repository design. In this study, interrelationships of main parameters of a general repository design have been defined and effective parameters are shown at each step. Initial design process is based on the long term stability of underground openings as disposal galleries. For this reason, this design process includes two main analyses: mechanical analysis and thermal analysis. Each of the analysis systems is directly related to each other by technical precautions. As a result of this design process, general information about the acceptable depth of the repository, layout and emplacement pattern can be taken. Final design study can be established on the result of initial design process. (author)

Conceptual Chemical Process Design for Sustainability.

Science.gov (United States)

This chapter examines the sustainable design of chemical processes, with a focus on conceptual design, hierarchical and short-cut methods, and analyses of process sustainability for alternatives. The chapter describes a methodology for incorporating process sustainability analyse...

Nuclear fission and reactions

International Nuclear Information System (INIS)

Anon.

1975-01-01

The nuclear fission research programs are designed to elucidate basic features of the fission process. Specifically, (1) factors determining how nucleons of a fissioning nucleus are distributed between two fission fragments, (2) factors determining kinetic energy and excitation energies of fragments, and (3) factors controlling fission lifetimes. To these ends, fission studies are reported for several heavy elements and include investigations of spontaneous and neutron-induced fission, heavy ion reactions, and high energy proton reactions. The status of theoretical research is also discussed. (U.S.)

Practicing universal design to actual hand tool design process.

Science.gov (United States)

Lin, Kai-Chieh; Wu, Chih-Fu

2015-09-01

UD evaluation principles are difficult to implement in product design. This study proposes a methodology for implementing UD in the design process through user participation. The original UD principles and user experience are used to develop the evaluation items. Difference of product types was considered. Factor analysis and Quantification theory type I were used to eliminate considered inappropriate evaluation items and to examine the relationship between evaluation items and product design factors. Product design specifications were established for verification. The results showed that converting user evaluation into crucial design verification factors by the generalized evaluation scale based on product attributes as well as the design factors applications in product design can improve users' UD evaluation. The design process of this study is expected to contribute to user-centered UD application. Copyright © 2015 Elsevier Ltd and The Ergonomics Society. All rights reserved.

Process Variations and Probabilistic Integrated Circuit Design

CERN Document Server

Haase, Joachim

2012-01-01

Uncertainty in key parameters within a chip and between different chips in the deep sub micron era plays a more and more important role. As a result, manufacturing process spreads need to be considered during the design process.  Quantitative methodology is needed to ensure faultless functionality, despite existing process variations within given bounds, during product development.   This book presents the technological, physical, and mathematical fundamentals for a design paradigm shift, from a deterministic process to a probability-orientated design process for microelectronic circuits.  Readers will learn to evaluate the different sources of variations in the design flow in order to establish different design variants, while applying appropriate methods and tools to evaluate and optimize their design.  Trains IC designers to recognize problems caused by parameter variations during manufacturing and to choose the best methods available to mitigate these issues during the design process; Offers both qual...

An adaptive algorithm for simulation of stochastic reaction-diffusion processes

International Nuclear Information System (INIS)

Ferm, Lars; Hellander, Andreas; Loetstedt, Per

2010-01-01

We propose an adaptive hybrid method suitable for stochastic simulation of diffusion dominated reaction-diffusion processes. For such systems, simulation of the diffusion requires the predominant part of the computing time. In order to reduce the computational work, the diffusion in parts of the domain is treated macroscopically, in other parts with the tau-leap method and in the remaining parts with Gillespie's stochastic simulation algorithm (SSA) as implemented in the next subvolume method (NSM). The chemical reactions are handled by SSA everywhere in the computational domain. A trajectory of the process is advanced in time by an operator splitting technique and the timesteps are chosen adaptively. The spatial adaptation is based on estimates of the errors in the tau-leap method and the macroscopic diffusion. The accuracy and efficiency of the method are demonstrated in examples from molecular biology where the domain is discretized by unstructured meshes.

Process Technology for Immobilized Lipasecatalyzed Reactions

DEFF Research Database (Denmark)

Xu, Yuan

Biocatalysis has attracted significant attention recently, mainly due to its high selectivity and potential benefits for sustainability. Applications can be found in biorefineries, turning biomass into energy and chemicals, and also for products in the food and pharmaceutical industries. However......, most applications remain in the production of high-value fine chemicals, primarily because of the expense of introducing new technology. In particular lipasecatalyzed synthesis has already achieved efficient operations for high-value products and more interesting now is to establish opportunities...... for low-value products. In order to guide the industrial implementation of immobilized-lipase catalyzed reactions, especially for highvolume low-value products, a methodological framework for dealing with the technical and scientific challenges and establishing an efficient process via targeted scale...

Ergonomics approaches to sociotechnical design processes

DEFF Research Database (Denmark)

Broberg, Ole

2003-01-01

A five-year design process of a continuous process wok has been studied with the aim of elucidating the conditions for integrating work environment aspects. The design process was seen as a network building activity and as a social shaping process of the artefact. A work environment log is sugges...

External boundary effects on simultaneous diffusion and reaction processes

International Nuclear Information System (INIS)

Le Roux, M.N.; Wilhelmsson, H.

1989-01-01

External boundaries influence the spatial and temporal structure of evolution of dynamic systems governed by reaction-diffusion equations. Critical limits, i.e. thresholds for explosive growth or onset of diffusion dominated decay, are found to be caused by the presence of the boundary and to depend on: the position of the boundary, where the density is assumed to be zero at any instant of time: the mutual weights (coefficients) and powers of the nonlinear reaction and diffusion processes; and the initial spatial distribution. However, for particular relations between the nonlinear powers of the reaction and diffusion terms the critical limits do not depend on the initial conditions. The results are obtained by simulation experiment for one, two and three dimensions. Trends in the dynamic evolution of the system with an external boundary imposed are compared with the corresponding analytic results obtained for free boundary. Interesting applications are found in various areas, e.g. in the field of high temperature fusion plasma where the evolution of the temperature profile for the so-called H-mode (constant plasma density) is described

A design method for process design kit based on an SMIC 65 nm process

International Nuclear Information System (INIS)

Luo Haiyan; Chen Lan; Yin Minghui

2010-01-01

The frame structure of a process design kit (PDK) is described in detail, and a practical design method for PDK is presented. Based on this method, a useful SMIC 65 nm PDK has been successfully designed and realized, which is applicable to native EDA software of Zeni. The design process and difficulties of PDK are introduced by developing and analyzing these parameterized cell (Pcell) devices (MOS, resistor, etc.). A structured design method was proposed to implement Pcell, which makes thousands upon thousands of source codes of Pcell concise, readable, easy-to-upkeep and transplantable. Moreover, a Pcase library for each Pcell is designed to verify the Pcell in batches. By this approach, the Pcell can be verified efficiently and the PDK will be more reliable and steady. In addition, the component description format parameters and layouts of the Pcell are optimized by adding flexibility and improving performance, which benefits analog and custom IC designers to satisfy the demand of design. Finally, the SMIC 65 nm PDK was applied to IC design. The results indicate that the SMIC 65 nm PDK is competent to support IC design. (semiconductor integrated circuits)

A test of a design process scale

NARCIS (Netherlands)

Marinakis, Yorgos; Harms, Rainer; Walsh, Steven Thomas

2015-01-01

Design is a type of innovation that focuses on creating new product and service meanings. Models of the design process are important because they can help firms manage their product and service design processes to obtain competitive advantage. Empirically-based models of the design process are

Fundamental studies on the reaction process of partial hydropyrolysis of coal

Energy Technology Data Exchange (ETDEWEB)

O. Yamada; H. Yasuda; M. Kaiho [National Institute of Advanced Industrial Science and Technology, Ibaraki (Japan). Energy Technology Research Institute

2005-07-01

In order to make up a simulator to support the development of coal partial hydropyrolysis process, material balance of the reaction was investigated precisely. Amount of H{sub 2} evolved by pyrolysis under inert gas atmosphere was found almost equal to that of (CO+2CO{sub 2}), therefore, most of H{sub 2} seemed to be generated through water gas reaction and shift reaction. CH{sub 4} seemed to be stable even at 1073K and 7.1MPa of H{sub 2}, its generation was simply accelerated in proportion to H{sub 2} pressure. Hydrocarbons, other than CH{sub 4}, were fundamentally unstable at 1073K and 0.93 -7.1MPa of H{sub 2}, however the rate of decomposition of them were so slow that amounts of them evolved were apparently proportion to reaction time and H{sub 2} pressure. BTX and naphthalene were increased apparently with H{sub 2} pressure when the reaction time was less than 5s. 4 refs., 20 figs.

Experimental and numerical reaction analysis on sodium-water chemical reaction field

International Nuclear Information System (INIS)

Deguchi, Yoshihiro; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2015-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using an elementary reaction analysis. A quasi one-dimensional flame model is applied to a sodium-water counter-flow reaction field. The analysis contains 25 elementary reactions, which consist of 17 H_2-O_2 and 8 Na-H_2O reactions. Temperature and species concentrations in the counter-flow reaction field were measured using laser diagnostics such as LIF and CARS. The main reaction in the experimental conditions is Na+H_2O → NaOH+H and OH is produced by H_2O+H → H_2+OH. It is demonstrated that the reaction model in this study well explains the structure of the sodium-water counter-flow diffusion flame. (author)

13C(α,n)16O reaction as the knock-out exchange process

International Nuclear Information System (INIS)

Kim, G.; Khajdarov, R.R.; Zaparov, Eh.A.

2000-01-01

S-factor for the 13 C(α,n) 16 O reaction is studied. In the framework of the simple phenomenological model this reaction is analysed as neutron knocked-out by α-particle exchange process. The analysis demonstrates the importance of taking into account 2p-state in 13 C. The 13 C(α,n) 16 O cross section is considered both as the knock-out exchange process and as it's combination with process through a compound nucleus. It was shown that for E α s value extrapolated to low energies is found to be noticeably larger that of R-matrix analysis. Different ways of improving the proposed model are discussed. (author)

Teaching Process Design through Integrated Process Synthesis

Science.gov (United States)

Metzger, Matthew J.; Glasser, Benjamin J.; Patel, Bilal; Hildebrandt, Diane; Glasser, David

2012-01-01

The design course is an integral part of chemical engineering education. A novel approach to the design course was recently introduced at the University of the Witwatersrand, Johannesburg, South Africa. The course aimed to introduce students to systematic tools and techniques for setting and evaluating performance targets for processes, as well as…

Process for carrying out a chemical reaction with ionic liquid and carbon dioxide under pressure

NARCIS (Netherlands)

Kroon, M.C.; Shariati, A.; Florusse, L.J.; Peters, C.J.; Van Spronsen, J.; Witkamp, G.J.; Sheldon, R.A.; Gutkowski, K.I.

2006-01-01

The invention is directed to a process for carrying out a chemical reaction in an ionic liquid as solvent and CO2 as cosolvent, in which process reactants are reacted in a homogeneous phase at selected pressure and temperature to generate a reaction product at least containing an end-product of the

Information-Processing Models and Curriculum Design

Science.gov (United States)

Calfee, Robert C.

1970-01-01

"This paper consists of three sections--(a) the relation of theoretical analyses of learning to curriculum design, (b) the role of information-processing models in analyses of learning processes, and (c) selected examples of the application of information-processing models to curriculum design problems." (Author)

Applying some methods to process the data coming from the nuclear reactions

International Nuclear Information System (INIS)

Suleymanov, M.K.; Abdinov, O.B.; Belashev, B.Z.

2010-01-01

Full text : The methods of a posterior increasing the resolution of the spectral lines are offered to process the data coming from the nuclear reactions. The methods have applied to process the data coming from the nuclear reactions at high energies. They give possibilities to get more detail information on a structure of the spectra of particles emitted in the nuclear reactions. The nuclear reactions are main source of the information on the structure and physics of the atomic nuclei. Usually the spectrums of the fragments of the reactions are complex ones. Apparently it is not simple to extract the necessary for investigation information. In the talk we discuss the methods of a posterior increasing the resolution of the spectral lines. The methods could be useful to process the complex data coming from the nuclear reactions. We consider the Fourier transformation method and maximum entropy one. The complex structures were identified by the method. One can see that at lest two selected points are indicated by the method. Recent we presented a talk where we shown that the results of the analyzing the structure of the pseudorapidity spectra of charged relativistic particles with ≥ 0.7 measured in Au+Em and Pb+Em at AGS and SPS energies using the Fourier transformation method and maximum entropy one. The dependences of these spectra on the number of fast target protons were studied. These distribution shown visually some plateau and shoulder that was at least three selected points on the distributions. The plateaus become wider in PbEm reactions. The existing of plateau is necessary for the parton models. The maximum entropy method could confirm the existing of the plateau and the shoulder on the distributions. The figure shows the results of applying the maximum entropy method. One can see that the method indicates several clean selected points. Some of them same with observed visually ones. We would like to note that the Fourier transformation method could not

Thermal theory of autowave processes in low-temperature solid-phase radiochemical reactions

International Nuclear Information System (INIS)

Barelko, V.V.; Barkalov, I.M.; Vaganov, D.A.; Zanin, A.M.; Kiryukhin, D.P.

1982-01-01

A new phenomenon in radiation cryochemistry concerning the class of autowave processes was previously discovered. It was observed in halogenation and hydrohalogenation of hydrocarbons and consisted of spontaneous, laminar propagation of a chemical transformation wave based on a frozen mixture of reagents previously irradiated with 60 Co γ-rays. The effect of the positive inverse correlation between the chemical conversion and brittle fracture of a solid sample of reagents is the phenomenological basis of the phenomenon; formation of fractures triggers a reactive process which takes place on their active surface (or in the layer adjacent to it), and the chemical reaction, in turn, stimulates the subsequent development of the process of decomposition. As a result, a single brittle fracture and chemical conversion wave which moves along the solid sample arises. Different mechanisms of generation of fracture surfaces under the effect of the reaction are possible. A difference in the densities of the initial reagents and the products of the reaction could be one of the causes of brittle fracture, and the thermal stresses induced by the exothermicity of the chemical processes could be another cause. The present work concerns the analysis of the features of the wave process which occurs based on the second, thermal mechanism. The analysis was conducted within the framework of a phenomenological approach which does not require specific definition of the nature of the chemical activation of the system during its brittle fracture

Heat Integration of the Water-Gas Shift Reaction System for Carbon Sequestration Ready IGCC Process with Chemical Looping

Energy Technology Data Exchange (ETDEWEB)

Juan M. Salazara; Stephen E. Zitney; Urmila M. Diwekara

2010-01-01

Integrated gasification combined cycle (IGCC) technology has been considered as an important alternative for efficient power systems that can reduce fuel consumption and CO2 emissions. One of the technological schemes combines water-gas shift reaction and chemical-looping combustion as post gasification techniques in order to produce sequestration-ready CO2 and potentially reduce the size of the gas turbine. However, these schemes have not been energetically integrated and process synthesis techniques can be applied to obtain an optimal flowsheet. This work studies the heat exchange network synthesis (HENS) for the water-gas shift reaction train employing a set of alternative designs provided by Aspen energy analyzer (AEA) and combined in a process superstructure that was simulated in Aspen Plus (AP). This approach allows a rigorous evaluation of the alternative designs and their combinations avoiding all the AEA simplifications (linearized models of heat exchangers). A CAPE-OPEN compliant capability which makes use of a MINLP algorithm for sequential modular simulators was employed to obtain a heat exchange network that provided a cost of energy that was 27% lower than the base case. Highly influential parameters for the pos gasification technologies (i.e. CO/steam ratio, gasifier temperature and pressure) were calculated to obtain the minimum cost of energy while chemical looping parameters (oxidation and reduction temperature) were ensured to be satisfied.

Deep-inelastic multinucleon transfer processes in the 16O+27Al reaction

Science.gov (United States)

Roy, B. J.; Sawant, Y.; Patwari, P.; Santra, S.; Pal, A.; Kundu, A.; Chattopadhyay, D.; Jha, V.; Pandit, S. K.; Parkar, V. V.; Ramachandran, K.; Mahata, K.; Nayak, B. K.; Saxena, A.; Kailas, S.; Nag, T. N.; Sahoo, R. N.; Singh, P. P.; Sekizawa, K.

2018-03-01

The reaction mechanism of deep-inelastic multinucleon transfer processes in the 16O+27Al reaction at an incident 16O energy (Elab=134 MeV) substantially above the Coulomb barrier has been studied both experimentally and theoretically. Elastic-scattering angular distribution, total kinetic energy loss spectra, and angular distributions for various transfer channels have been measured. The Q -value- and angle-integrated isotope production cross sections have been deduced. To obtain deeper insight into the underlying reaction mechanism, we have carried out a detailed analysis based on the time-dependent Hartree-Fock (TDHF) theory. A recently developed method, TDHF+GEMINI, has been applied to evaluate production cross sections for secondary products. From a comparison between the experimental and theoretical cross sections, we find that the theory qualitatively reproduces the experimental data. Significant effects of secondary light-particle emissions are demonstrated. Possible interplay among fusion-fission, deep-inelastic, multinucleon transfer, and particle evaporation processes is discussed.

Facilitating Teamwork in the Design Process

DEFF Research Database (Denmark)

Bang, Anne Louise; Nissen, Kirsten

2009-01-01

By approaching the Repertory Grid as an exploratory design game and drawing on insight in diagrammatic reasoning we argue that this approach is useful in supporting team work in the design process. In this paper we draw on two courses inviting textile design students to contribute to the developm......By approaching the Repertory Grid as an exploratory design game and drawing on insight in diagrammatic reasoning we argue that this approach is useful in supporting team work in the design process. In this paper we draw on two courses inviting textile design students to contribute...

NMTC/JAM, Simulates High Energy Nuclear Reactions and Nuclear-Meson Transport Processes

International Nuclear Information System (INIS)

Furihata, Shiori

2002-01-01

1 - Description of program or function: NMTC/JAM is an upgraded version of the code system NMTC/JAERI97. NMTC/JAERI97 simulates high energy nuclear reactions and nucleon-meson transport processes. It implements an intra-nuclear cascade model taking account of the in-medium nuclear effects and the pre-equilibrium calculation model based on the exciton one. For treating the nucleon transport process, the nucleon-nucleus cross sections are revised to those derived by the systematics of Pearlstein. Moreover, the level density parameter derived by Ignatyuk is included as a new option for particle evaporation calculation. A geometry package based on the Combinatorial Geometry with multi-array system and the importance sampling technique is implemented in the code. Tally function is also employed for obtaining such physical quantities as neutron energy spectra, heat deposition and nuclide yield without editing a history file. The code can simulate both the primary spallation reaction and the secondary particle transport in the intermediate energy region from 20 MeV to 3.5 GeV by the use of the Monte Carlo technique. The code has been employed in combination with the neutron-photon transport codes available to the energy region below 20 MeV for neutronics calculation of accelerator-based subcritical reactors, analyses of thick target spallation experimented and so on. 2 - Methods: High energy nuclear reactions induced by incident high energy protons, neutrons and pions are simulated with the Monte Carlo Method by the intra-nuclear nucleon-nucleon reaction probabilities based on an intra-nuclear nucleon cascade model followed by the particle evaporation including high energy fission process. Jet-Aa Microscopic transport model (JAM) is employed to simulate high energy nuclear reactions in the energy range of GeV. All reaction channels are taken into account in the JAM calculation. An intra-nuclear cascade model (ISOBAR code) taking account of the in-medium nuclear effects

Numerical Analysis of Microwave Heating on Saponification Reaction

Science.gov (United States)

Huang, Kama; Jia, Kun

2005-01-01

Currently, microwave is widely used in chemical industry to accelerate chemical reactions. Saponification reaction has important applications in industry; some research results have shown that microwave heating can significantly accelerate the reaction [1]. But so far, no efficient method has been reported for the analysis of the heating process and design of an efficient reactor powered by microwave. In this paper, we present a method to study the microwave heating process on saponification reaction, where the reactant in a test tube is considered as a mixture of dilute solution. According to the preliminary measurement results, the effective permittivity of the mixture is approximately the permittivity of water, but the conductivity, which could change with the reaction, is derived from the reaction equation (RE). The electromagnetic field equation and reaction equation are coupled by the conductivity. Following that, the whole heating processes, which is described by Maxwell's equations, the reaction equation and heat transport equation (HTE), is analyzed by finite difference time domain (FDTD) method. The temperature rising in the test tube are measured and compared with the computational results. Good agreement can be seen between the measured and calculated results.

Integrating ergonomic knowledge into engineering design processes

DEFF Research Database (Denmark)

Hall-Andersen, Lene Bjerg

Integrating ergonomic knowledge into engineering design processes has been shown to contribute to healthy and effective designs of workplaces. However, it is also well-recognized that, in practice, ergonomists often have difficulties gaining access to and impacting engineering design processes...... employed in the same company, constituted a supporting factor for the possibilities to integrate ergonomic knowledge into the engineering design processes. However, the integration activities remained discrete and only happened in some of the design projects. A major barrier was related to the business...... to the ergonomic ambitions of the clients. The ergonomists’ ability to navigate, act strategically, and compromise on ergonomic inputs is also important in relation to having an impact in the engineering design processes. Familiarity with the engineering design terminology and the setup of design projects seems...

The coupling of ω-transaminase and Oppenauer oxidation reactions via intra-membrane multicomponent diffusion – A process model for the synthesis of chiral amines

DEFF Research Database (Denmark)

Esparza-Isunza, T.; González-Brambila, M.; Gani, Rafiqul

2015-01-01

amine product. Using 2-propylamine as the amine donor of the ω-transaminase reaction, gives acetone as a by-product, which in turn allows the coupling of the ω-transaminase reaction with the Oppenauer oxidation. The Oppenauer reaction converts secondary alcohols into ketones, and these can subsequently......In this study we consider the theoretical coupling of an otherwise thermodynamically limited ω-transaminase reaction to an Oppenauer oxidation, in order to shift the equilibria of both reactions, with the aim of achieving a significant (and important) increase in the yield of the desired chiral...... of this paper is to report the development of a mathematical model as a tool for the simulation and potential design of such a process for the production of a range of chiral amines. The mathematical model developed considers that each reaction is performed in a single ideally mixed isothermal reactor operating...

An Integrated Design Process

DEFF Research Database (Denmark)

Petersen, Mads Dines; Knudstrup, Mary-Ann

2010-01-01

Present paper is placed in the discussion about how sustainable measures are integrated in the design process by architectural offices. It presents results from interviews with four leading Danish architectural offices working with sustainable architecture and their experiences with it, as well...... as the requirements they meet in terms of how to approach the design process – especially focused on the early stages like a competition. The interviews focus on their experiences with working in multidisciplinary teams and using digital tools to support their work with sustainable issues. The interviews show...... the environmental measures cannot be discarded due to extra costs....

Conceptual Design of Industrial Process Displays

DEFF Research Database (Denmark)

Pedersen, C.R.; Lind, Morten

1999-01-01

discusses aspects of process display design taking into account both the designer's and the operator's points of view. Three aspects are emphasized: the operator tasks, the display content and the display form. The distinction between these three aspects is the basis for proposing an outline for a display......Today, process displays used in industry are often designed on the basis of piping and instrumentation diagrams without any method of ensuring that the needs of the operators are fulfilled. Therefore, a method for a systematic approach to the design of process displays is needed. This paper...... by a simple example from a plant with batch processes. Later the method is applied to develop a supervisory display for a condenser system in a nuclear power plant. The differences between the continuous plant domain of power production and the batch processes from the example are analysed and broad...

Integrating Thermal Tools Into the Mechanical Design Process

Science.gov (United States)

Tsuyuki, Glenn T.; Siebes, Georg; Novak, Keith S.; Kinsella, Gary M.

1999-01-01

The intent of mechanical design is to deliver a hardware product that meets or exceeds customer expectations, while reducing cycle time and cost. To this end, an integrated mechanical design process enables the idea of parallel development (concurrent engineering). This represents a shift from the traditional mechanical design process. With such a concurrent process, there are significant issues that have to be identified and addressed before re-engineering the mechanical design process to facilitate concurrent engineering. These issues also assist in the integration and re-engineering of the thermal design sub-process since it resides within the entire mechanical design process. With these issues in mind, a thermal design sub-process can be re-defined in a manner that has a higher probability of acceptance, thus enabling an integrated mechanical design process. However, the actual implementation is not always problem-free. Experience in applying the thermal design sub-process to actual situations provides the evidence for improvement, but more importantly, for judging the viability and feasibility of the sub-process.

Dual processing and organizational justice: the role of rational versus experiential processing in third-party reactions to workplace mistreatment.

Science.gov (United States)

Skarlicki, Daniel P; Rupp, Deborah E

2010-09-01

The moral perspective of justice proposes that when confronted by another person's mistreatment, third parties can experience a deontic response, that is, an evolutionary-based emotional reaction that motivates them to engage in retribution toward the transgressor. In this article, we tested whether the third party's deontic reaction is less strong when a rational (vs. experiential) processing frame is primed. Further, we tested whether third parties high (vs. low) in moral identity are more resistant to the effects of processing frames. Results from a sample of 185 French managers revealed that following an injustice, managers primed to use rational processing reported lower retribution tendencies compared with managers primed to use experiential processing. Third parties high in moral identity, however, were less affected by the framing; they reported a high retribution response regardless of processing frame. Theoretical and practical implications of these findings are discussed. Copyright 2010 APA, all rights reserved

A computer-aided approach for achieving sustainable process design by process intensification

DEFF Research Database (Denmark)

Anantasarn, Nateetorn; Suriyapraphadilok, Uthaiporn; Babi, Deenesh Kavi

2017-01-01

to generate flowsheet alternatives that satisfy the design targets thereby, minimizing and/or eliminating the process hot-spots. The application of the framework is highlighted through the production of para-xylene via toluene methylation where more sustainable flowsheet alternatives that consist of hybrid......Process intensification can be applied to achieve sustainable process design. In this paper, a systematic, 3-stage synthesis-intensification framework is applied to achieve more sustainable design. In stage 1, the synthesis stage, an objective function and design constraints are defined and a base...... case is synthesized. In stage 2, the design and analysis stage, the base case is analyzed using economic and environmental analyses to identify process hot-spots that are translated into design targets. In stage 3, the innovation design stage, phenomena-based process intensification is performed...

p-process nucleosynthesis via proton-capture reactions in thermonuclear supernovae explosions

Directory of Open Access Journals (Sweden)

Endres Anne

2015-01-01

Full Text Available Model calculations within the framework of the so-called γ process show an underproduction of the p nucleus with the highest isotopic abundace 92Mo. This discrepancy can be narrowed by taking into account the alternative production site of a type Ia supernova explosion. Here, the nucleus 92Mo can be produced by a sequence of proton-capture reactions. The amount of 92Mo nuclei produced via this reaction chain is most sensitive to the reactions 90Zr(p,γ and 91Nb(p,γ. Both rates have to be investigated experimentally to study the impact of this nucleosynthesis aspect on the long-standing 92Mo-problem. We have already measured the proton-capture reaction on 90Zr using high-resolution in-beam γ-ray spectroscopy. In this contribution, we will present our preliminary results of the total cross sections as well as the partial cross sections. Furthermore, we plan to measure the 91Nb(p,γ reaction soon. Due to the radioactive target material, the 91Nb nuclei have to be produced prior to the experiment. The current status of this production will be presented in this contribution.

Visual but not motor processes predict simple visuomotor reaction time of badminton players.

Science.gov (United States)

Hülsdünker, Thorben; Strüder, Heiko K; Mierau, Andreas

2018-03-01

The athlete's brain exhibits significant functional adaptations that facilitate visuomotor reaction performance. However, it is currently unclear if the same neurophysiological processes that differentiate athletes from non-athletes also determine performance within a homogeneous group of athletes. This information can provide valuable help for athletes and coaches aiming to optimize existing training regimes. Therefore, this study aimed to identify the neurophysiological correlates of visuomotor reaction performance in a group of skilled athletes. In 36 skilled badminton athletes, electroencephalography (EEG) was used to investigate pattern reversal and motion onset visual-evoked potentials (VEPs) as well as visuomotor reaction time (VMRT) during a simple reaction task. Stimulus-locked and response-locked event-related potentials (ERPs) in visual and motor regions as well as the onset of muscle activation (EMG onset) were determined. Correlation and multiple regression analyses identified the neurophysiological parameters predicting EMG onset and VMRT. For pattern reversal stimuli, the P100 latency and age best predicted EMG onset (r = 0.43; p = .003) and VMRT (r = 0.62; p = .001). In the motion onset experiment, EMG onset (r = 0.80; p badminton players while motor-related processes, although differentiating athletes from non-athletes, are not associated simple with visuomotor reaction performance.

High-Pressure-High-Temperature Processing Reduces Maillard Reaction and Viscosity in Whey Protein-Sugar Solutions.

Science.gov (United States)

Avila Ruiz, Geraldine; Xi, Bingyan; Minor, Marcel; Sala, Guido; van Boekel, Martinus; Fogliano, Vincenzo; Stieger, Markus

2016-09-28

The aim of the study was to determine the influence of pressure in high-pressure-high-temperature (HPHT) processing on Maillard reactions and protein aggregation of whey protein-sugar solutions. Solutions of whey protein isolate containing either glucose or trehalose at pH 6, 7, and 9 were treated by HPHT processing or conventional high-temperature (HT) treatments. Browning was reduced, and early and advanced Maillard reactions were retarded under HPHT processing at all pH values compared to HT treatment. HPHT induced a larger pH drop than HT treatments, especially at pH 9, which was not associated with Maillard reactions. After HPHT processing at pH 7, protein aggregation and viscosity of whey protein isolate-glucose/trehalose solutions remained unchanged. It was concluded that HPHT processing can potentially improve the quality of protein-sugar-containing foods, for which browning and high viscosities are undesired, such as high-protein beverages.

MRE: a web tool to suggest foreign enzymes for the biosynthesis pathway design with competing endogenous reactions in mind

KAUST Repository

Kuwahara, Hiroyuki; Alazmi, Meshari; Cui, Xuefeng; Gao, Xin

2016-01-01

To rationally design a productive heterologous biosynthesis system, it is essential to consider the suitability of foreign reactions for the specific endogenous metabolic infrastructure of a host. We developed a novel web server, called MRE, which, for a given pair of starting and desired compounds in a given chassis organism, ranks biosynthesis routes from the perspective of the integration of new reactions into the endogenous metabolic system. For each promising heterologous biosynthesis pathway, MRE suggests actual enzymes for foreign metabolic reactions and generates information on competing endogenous reactions for the consumption of metabolites. These unique, chassis-centered features distinguish MRE from existing pathway design tools and allow synthetic biologists to evaluate the design of their biosynthesis systems from a different angle. By using biosynthesis of a range of high-value natural products as a case study, we show that MRE is an effective tool to guide the design and optimization of heterologous biosynthesis pathways. The URL of MRE is http://www.cbrc.kaust.edu.sa/mre/.

MRE: a web tool to suggest foreign enzymes for the biosynthesis pathway design with competing endogenous reactions in mind

KAUST Repository

Kuwahara, Hiroyuki

2016-04-29

To rationally design a productive heterologous biosynthesis system, it is essential to consider the suitability of foreign reactions for the specific endogenous metabolic infrastructure of a host. We developed a novel web server, called MRE, which, for a given pair of starting and desired compounds in a given chassis organism, ranks biosynthesis routes from the perspective of the integration of new reactions into the endogenous metabolic system. For each promising heterologous biosynthesis pathway, MRE suggests actual enzymes for foreign metabolic reactions and generates information on competing endogenous reactions for the consumption of metabolites. These unique, chassis-centered features distinguish MRE from existing pathway design tools and allow synthetic biologists to evaluate the design of their biosynthesis systems from a different angle. By using biosynthesis of a range of high-value natural products as a case study, we show that MRE is an effective tool to guide the design and optimization of heterologous biosynthesis pathways. The URL of MRE is http://www.cbrc.kaust.edu.sa/mre/.

Some conditions affecting the definition of design basis accidents relating to sodium/water reactions

International Nuclear Information System (INIS)

Bolt, P.R.

1984-01-01

The possible damaging effects of large sodium/water reactions on the steam generator, IHX and secondary circuit are considered. The conditions to be considered in defining the design basis accidents for these components are discussed, together with some of the assumptions that may be associated with design assessments of the scale of the accidents. (author)

A sustainable process to utilize ferrous sulfate waste from titanium oxide industry by reductive decomposition reaction with pyrite

International Nuclear Information System (INIS)

Huang, Penghui; Deng, Shaogang; Zhang, Zhiye; Wang, Xinlong; Chen, Xiaodong; Yang, Xiushan; Yang, Lin

2015-01-01

Highlights: • A newly developed treating process of ferrous sulfate was proposed. • The reaction process was discussed by thermodynamic analysis. • Thermodynamic analysis was compared with experiments results. • The kinetic model of the decomposition reaction was determined. • The reaction mechanism of autocatalytic reactions was explored. - Abstract: Ferrous sulfate waste has become a bottleneck in the sustainable development of the titanium dioxide industry in China. In this study, we propose a new method for the reductive decomposition of ferrous sulfate waste using pyrite. Thermodynamics analysis, tubular reactor experiments, and kinetics analysis were performed to analyze the reaction process. The results of the thermodynamic simulation showed that the reaction process and products were different when molar ratio of FeSO_4/FeS_2 was changed. The suitable molar ratio of FeSO_4/FeS_2 was 8–12. The reaction temperature of ferrous sulfate with pyrite was 580–770 K and the main products were Fe_3O_4 and SO_2. The simulation results agreed well with the experimental results. The desulphurization rate reached 98.55% and main solid products were Fe_3O_4 at 823.15 K when mole ratio of FeSO_4/FeS_2 was 8. Nano-sized magnetite was obtained at this condition. The kinetic model was investigated by isoconversional methods. The average E value was 244.34 kJ mol"−"1. The ferrous sulfate decomposition process can be treated as autocatalytic reaction mechanism, which corresponded to the expanded Prout–Tompson (Bna) model. The reaction mechanism of autocatalytic reactions during the process of ferrous sulfate decomposition were explored, the products of Fe oxide substances are the catalyst components.

Design, fabrication, and application of a directional thermal processing system for controlled devitrification of metallic glasses

Science.gov (United States)

Meyer, Megan Anne Lamb

The potential of using metallic glass as a pathway to obtaining novel morphologies and metastable phases has been garnering attention since their discovery. Several rapid solidification techniques; such as gas atomization, melt spinning, laser melting, and splat quenching produce amorphous alloys. A directional thermal processing system (DTPS) was designed, fabricated and characterized for the use of zone processing or gradient-zone processing of materials. Melt-spun CuZr metallic glass alloy was subjected to the DTPS and the relaxation and crystallization responses of the metallic glass were characterized. A range of processing parameters were developed and analyzed that would allow for devitrification to occur. The relaxation and crystallization responses were compared with traditional heat treatment methods of metallic glasses. The new processing method accessed equilibrium and non-equilibrium phases of the alloy and the structures were found to be controllable and sensitive to processing conditions. Crystallized fraction, crystallization onset temperature, and structural relaxation were controlled through adjusting the processing conditions, such as the hot zone temperature and sample velocity. Reaction rates computed from isothermal (TTT) transformation data were not found to be reliable, suggesting that the reaction kinetics are not additive. This new processing method allows for future studying of the thermal history effects of metallic glasses.

Human Integration Design Processes (HIDP)

Science.gov (United States)

Boyer, Jennifer

2014-01-01

The purpose of the Human Integration Design Processes (HIDP) document is to provide human-systems integration design processes, including methodologies and best practices that NASA has used to meet human systems and human rating requirements for developing crewed spacecraft. HIDP content is framed around human-centered design methodologies and processes in support of human-system integration requirements and human rating. NASA-STD-3001, Space Flight Human-System Standard, is a two-volume set of National Aeronautics and Space Administration (NASA) Agency-level standards established by the Office of the Chief Health and Medical Officer, directed at minimizing health and performance risks for flight crews in human space flight programs. Volume 1 of NASA-STD-3001, Crew Health, sets standards for fitness for duty, space flight permissible exposure limits, permissible outcome limits, levels of medical care, medical diagnosis, intervention, treatment and care, and countermeasures. Volume 2 of NASASTD- 3001, Human Factors, Habitability, and Environmental Health, focuses on human physical and cognitive capabilities and limitations and defines standards for spacecraft (including orbiters, habitats, and suits), internal environments, facilities, payloads, and related equipment, hardware, and software with which the crew interfaces during space operations. The NASA Procedural Requirements (NPR) 8705.2B, Human-Rating Requirements for Space Systems, specifies the Agency's human-rating processes, procedures, and requirements. The HIDP was written to share NASA's knowledge of processes directed toward achieving human certification of a spacecraft through implementation of human-systems integration requirements. Although the HIDP speaks directly to implementation of NASA-STD-3001 and NPR 8705.2B requirements, the human-centered design, evaluation, and design processes described in this document can be applied to any set of human-systems requirements and are independent of reference

New Vistas in Chemical Product and Process Design

DEFF Research Database (Denmark)

Zhang, Lei; Babi, Deenesh Kavi; Gani, Rafiqul

2016-01-01

Design of chemicals-based products is broadly classified into those that are process centered and those that are product centered. In this article, the designs of both classes of products are reviewed from a process systems point of view; developments related to the design of the chemical product......, its corresponding process, and its integration are highlighted. Although significant advances have been made in the development of systematic model-based techniques for process design (also for optimization, operation, and control), much work is needed to reach the same level for product design....... Timeline diagrams illustrating key contributions in product design, process design, and integrated product-process design are presented. The search for novel, innovative, and sustainable solutions must be matched by consideration of issues related to the multidisciplinary nature of problems, the lack...

Solar hydrogen project - Thermochemical process design

Energy Technology Data Exchange (ETDEWEB)

Allen, D.J.; Ng, L.F.; Rao, M.S.M.; Wu, S.F.; Zoschak, R.J.

1984-08-01

The thermochemical decomposition of water using solar energy offers an elegant way of combining solar and chemical technologies to produce a high quality fuel. The DOE has sponsored Foster Wheeler to develop a process design for a solar water-splitting process based on the sulfuric acid/iodine cycle. The study has centered around the design of a sulfuric acid decomposition reactor and the central receiver. Materials' properties impose severe constraints upon the design of decomposition reactor. In this paper, the constraints imposed on the design are specified and a reactor and receiver design is presented together with a preliminary design of the balance of plant.

Transport processes in exothermic gas-solid reactions

International Nuclear Information System (INIS)

Vijay, P.L.; Sathiyamoorthy, D.

1997-01-01

The variation of the concentration of gaseous reactant, temperature distribution for an exothermic reaction, the diffusivity factor and the reaction ratio profiles with various radial positions of a solid reactant have been computed and illustrated for a specific case of reduction reaction of UO 3 by hydrogen

The design process seen through the eyes of a type designer

DEFF Research Database (Denmark)

Beier, Sofie

2015-01-01

To understand how the design process works, the paper takes the outset in the work of one of the first innovating type designers: the English printer and typefounder John Baskerville (1706-1775). By comparing his way of working with a model for a contemporary design process, the paper reflects upon...

The Maillard reaction and pet food processing: effects on nutritive value and pet health

NARCIS (Netherlands)

Rooijen, van C.; Bosch, G.; Poel, van der A.F.B.; Wierenga, P.A.; Alexander, L.; Hendriks, W.H.

2013-01-01

The Maillard reaction, which can occur during heat processing of pet foods or ingredients, is known to reduce the bioavailability of essential amino acids such as lysine due to the formation of early and advanced Maillard reaction products (MRP) that are unavailable for utilisation by the body.

Modeling of Reaction Processes Controlled by Diffusion

International Nuclear Information System (INIS)

Revelli, Jorge

2003-01-01

Stochastic modeling is quite powerful in science and technology.The technics derived from this process have been used with great success in laser theory, biological systems and chemical reactions.Besides, they provide a theoretical framework for the analysis of experimental results on the field of particle's diffusion in ordered and disordered materials.In this work we analyze transport processes in one-dimensional fluctuating media, which are media that change their state in time.This fact induces changes in the movements of the particles giving rise to different phenomena and dynamics that will be described and analyzed in this work.We present some random walk models to describe these fluctuating media.These models include state transitions governed by different dynamical processes.We also analyze the trapping problem in a lattice by means of a simple model which predicts a resonance-like phenomenon.Also we study effective diffusion processes over surfaces due to random walks in the bulk.We consider different boundary conditions and transitions movements.We derive expressions that describe diffusion behaviors constrained to bulk restrictions and the dynamic of the particles.Finally it is important to mention that the theoretical results obtained from the models proposed in this work are compared with Monte Carlo simulations.We find, in general, excellent agreements between the theory and the simulations

Dynamic loadings of sodium-water reactions in LMFBR and fusion power designs

Energy Technology Data Exchange (ETDEWEB)

Chan, C. K.

1977-07-01

In liquid metal fast breeder reactor and lithium cooled fusion reactor, a sodium loop is being proposed to transfer heat from the primary coolant loop to the steam turbine cycle. Although by careful design and quality assurance programs, the probability for steam generator tube failure can be minimized, failure will still occur. The direct contact of sodium and water would cause a chemical reaction where hydrogen and sodium compounds are produced. This paper presents an evaluation of the potential hazards as a result of such a reaction. An analytical method is developed to investigate the extent of the reaction zone and the propagation of the pressure wave in the sodium system. In the calculation, the chemical reaction is assumed to be instantaneous, governed by the equation 2Na(l)+H/sub 2/O(l)..-->..Na/sub 2/O(l)+H/sub 2/(g)+31.4 K cal/gm. mole. Both the temperature and pressure rise in the reaction zone can be established from the energy balance and the equation of state for the gaseous product. As a consequence of the energy released, the chemical products suddenly expand with a high velocity. The expansion also generates a shock wave in both the water and the sodium systems. Results indicate that the reaction zone can expand in a rate of 1500 ft/sec and a shock wave with initial strength of 2300 atmospheres propagates with a speed of 8000 ft/sec into the sodium system. The propagating characteristics of the shock wave are obtained by solving the basic fluid equations. The shock wave decays rapidly, in the neighborhood of milliseconds, as soon as the reaction zone stops to expand. The decrease in the reaction zone pressure allows more water to react with the sodium and a second pulse is generated.

Dynamic loadings of sodium-water reactions in LMFBR and fusion power designs

International Nuclear Information System (INIS)

Chan, C.K.

1977-01-01

In liquid metal fast breeder reactor and lithium cooled fusion reactor, a sodium loop is being proposed to transfer heat from the primary coolant loop to the steam turbine cycle. Although by careful design and quality assurance programs, the probability for steam generator tube failure can be minimized, failure will still occur. The direct contact of sodium and water would cause a chemical reaction where hydrogen and sodium compounds are produced. This paper presents an evaluation of the potential hazards as a result of such a reaction. An analytical method is developed to investigate the extent of the reaction zone and the propagation of the pressure wave in the sodium system. In the calculation, the chemical reaction is assumed to be instantaneous, governed by the equation 2Na(l)+H 2 O(l)→Na 2 O(l)+H 2 (g)+31.4 K cal/gm. mole. Both the temperature and pressure rise in the reaction zone can be established from the energy balance and the equation of state for the gaseous product. As a consequence of the energy released, the chemical products suddenly expand with a high velocity. The expansion also generates a shock wave in both the water and the sodium systems. Results indicate that the reaction zone can expand in a rate of 1500 ft/sec and a shock wave with initial strength of 2300 atmospheres propagates with a speed of 8000 ft/sec into the sodium system. The propagating characteristics of the shock wave are obtained by solving the basic fluid equations. The shock wave decays rapidly, in the neighborhood of milliseconds, as soon as the reaction zone stops to expand. The decrease in the reaction zone pressure allows more water to react with the sodium and a second pulse is generated

Food Processing: The Influence of the Maillard Reaction on Immunogenicity and Allergenicity of Food Proteins

Science.gov (United States)

Teodorowicz, Malgorzata; van Neerven, Joost

2017-01-01

The majority of foods that are consumed in our developed society have been processed. Processing promotes a non-enzymatic reaction between proteins and sugars, the Maillard reaction (MR). Maillard reaction products (MRPs) contribute to the taste, smell and color of many food products, and thus influence consumers’ choices. However, in recent years, MRPs have been linked to the increasing prevalence of diet- and inflammation-related non-communicable diseases including food allergy. Although during the last years a better understanding of immunogenicity of MRPs has been achieved, still only little is known about the structural/chemical characteristics predisposing MRPs to interact with antigen presenting cells (APCs). This report provides a comprehensive review of recent studies on the influence of the Maillard reaction on the immunogenicity and allergenicity of food proteins. PMID:28777346

Food Processing: The Influence of the Maillard Reaction on Immunogenicity and Allergenicity of Food Proteins.

Science.gov (United States)

Teodorowicz, Malgorzata; van Neerven, Joost; Savelkoul, Huub

2017-08-04

The majority of foods that are consumed in our developed society have been processed. Processing promotes a non-enzymatic reaction between proteins and sugars, the Maillard reaction (MR). Maillard reaction products (MRPs) contribute to the taste, smell and color of many food products, and thus influence consumers' choices. However, in recent years, MRPs have been linked to the increasing prevalence of diet- and inflammation-related non-communicable diseases including food allergy. Although during the last years a better understanding of immunogenicity of MRPs has been achieved, still only little is known about the structural/chemical characteristics predisposing MRPs to interact with antigen presenting cells (APCs). This report provides a comprehensive review of recent studies on the influence of the Maillard reaction on the immunogenicity and allergenicity of food proteins.

Assessment and Development of Engineering Design Processes

DEFF Research Database (Denmark)

Ulrikkeholm, Jeppe Bjerrum

, the engineering companies need to have efficient engineering design processes in place, so they can design customised product variants faster and more efficiently. It is however not an easy task to model and develop such processes. To conduct engineering design is often a highly iterative, illdefined and complex...... the process can be fully understood and eventually improved. Taking its starting point in this proposition, the outcome of the research is an operational 5-phased procedure for assessing and developing engineering design processes through integrated modelling of product and process, designated IPPM......, and eventually the results are discussed, overall conclusions are made and future research is proposed. The results produced throughout the research project are developed in close collaboration with the Marine Low Speed business unit within the company MAN Diesel & Turbo. The business unit is the world market...

Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

Science.gov (United States)

Simpson, Matthew J

2015-01-01

Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE) on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0exact solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i) the rate at which the domain elongates, (ii) the diffusivity associated with the spreading density profile, (iii) the reaction rate, and (iv) the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t).

Designing with video focusing the user-centred design process

CERN Document Server

Ylirisku, Salu Pekka

2007-01-01

Digital video for user-centered co-design is an emerging field of design, gaining increasing interest in both industry and academia. It merges the techniques and approaches of design ethnography, participatory design, interaction analysis, scenario-based design, and usability studies. This book covers the complete user-centered design project. It illustrates in detail how digital video can be utilized throughout the design process, from early user studies to making sense of video content and envisioning the future with video scenarios to provoking change with video artifacts. The text includes

What do information reuse and automated processing require in engineering design? Semantic process

Directory of Open Access Journals (Sweden)

Ossi Nykänen

2011-12-01

Full Text Available Purpose: The purpose of this study is to characterize, analyze, and demonstrate machine-understandable semantic process for validating, integrating, and processing technical design information. This establishes both a vision and tools for information reuse and semi-automatic processing in engineering design projects, including virtual machine laboratory applications with generated components.Design/methodology/approach: The process model has been developed iteratively in terms of action research, constrained by the existing technical design practices and assumptions (design documents, expert feedback, available technologies (pre-studies and experiments with scripting and pipeline tools, benchmarking with other process models and methods (notably the RUP and DITA, and formal requirements (computability and the critical information paths for the generated applications. In practice, the work includes both quantitative and qualitative components.Findings: Technical design processes may be greatly enhanced in terms of semantic process thinking, by enriching design information, and automating information validation and transformation tasks. Contemporary design information, however, is mainly intended for human consumption, and needs to be explicitly enriched with the currently missing data and interfaces. In practice, this may require acknowledging the role of technical information or knowledge engineer, to lead the development of the semantic design information process in a design organization. There is also a trade-off between machine-readability and system complexity that needs to be studied further, both empirically and in theory.Research limitations/implications: The conceptualization of the semantic process is essentially an abstraction based on the idea of progressive design. While this effectively allows implementing semantic processes with, e.g., pipeline technologies, the abstraction is valid only when technical design is organized into

Special design issues. Ion beam driver-reaction chamber interfaces

International Nuclear Information System (INIS)

Moir, R.W.; Peterson, R.R.; Kessler, G.

1995-01-01

Design issues of the interface between ion beam drivers and the reaction chamber for heavy ion beam and light ion beam inertial fusion drivers are discussed. The interface must provide for radiation protection of final focusing magnets, pumping of evaporated material and non-condensable gas that enter the beam ports, thermal insulation, heat removal, a.o.. Beam ports and focal magnets must be protected by neutronically thick shielding between the beam path and the magnet conductor. The required thickness of the shielding determines the minimum spacing between individual beams in a cluster of beams. The cone angle of this cluster can affect target performance. The beamlines are subjected to evaporated material, debris, and rapidly moving droplets. The reaction chambers used here are HYLIFE-II for indirect, HIBALL-II for direct drive. The light ion beam interface is based on the LIBRA and LIBRA-LiTE studies. In the case of HYLIFE-II, liquid jets must be demonstrated with a thickness of 0.5 m and with an edge that comes to within 10 mm of the beam edges to protect the ports. Design of compact focal arrays with enough shielding to give magnets an adequate lifetime must be achieved. As shielding is added the size of the beam array will grow and the target will drop. For HIBALL neutron shielding of the focal magnets provides an adequate lifetime. Replaceable special INPORT units will have to be developed in the region of the beam ports. For light ions transport issues have led to structures being placed close enough to the target that they experience a higher neutron damage rate and must be replaced once or twice a year, which would require remote maintenance. Light ion concepts could greatly benefit from a self-pinched transport scheme, though the details are unclear and the effect on availability is uncertain. Light and heavy ions have similar problems in keeping the gas in the drivers at a low density. Both will require active means to preserve this low density, while

New Vistas in Chemical Product and Process Design.

Science.gov (United States)

Zhang, Lei; Babi, Deenesh K; Gani, Rafiqul

2016-06-07

Design of chemicals-based products is broadly classified into those that are process centered and those that are product centered. In this article, the designs of both classes of products are reviewed from a process systems point of view; developments related to the design of the chemical product, its corresponding process, and its integration are highlighted. Although significant advances have been made in the development of systematic model-based techniques for process design (also for optimization, operation, and control), much work is needed to reach the same level for product design. Timeline diagrams illustrating key contributions in product design, process design, and integrated product-process design are presented. The search for novel, innovative, and sustainable solutions must be matched by consideration of issues related to the multidisciplinary nature of problems, the lack of data needed for model development, solution strategies that incorporate multiscale options, and reliability versus predictive power. The need for an integrated model-experiment-based design approach is discussed together with benefits of employing a systematic computer-aided framework with built-in design templates.

Reaction network modelling for kinetic parameters of pyrolytic reactions of CHON extractants in nuclear fuel processing waste management. Contributed Paper IT-07

International Nuclear Information System (INIS)

Gaikar, Vilas G.; Thaore, Vaishali

2014-01-01

The recovery and purification of plutonium (Pu) from uranium (U) and of U from Thorium (Th) in spent nuclear fuel reprocessing is accomplished by processes that employ organophosphorous compounds as extractants.The main objective of the present work was to develop a suitable kinetic model and to determine the kinetic parameters of the set of reactions involved in the pyrolysis of amides by fitting the experimental data in the reaction network model. The experimental data and analysis are expected to be useful in the steam pyrolysis of amide waste in fuel reprocessing in the nuclear industry. The basic approach was to understand the reaction mechanism of the steam pyrolysis of amides and then to estimate the reaction rate constants for the generation and consumption of different species by solving the model equations, allowing for the determination of important species in the reaction network

Affective reactions and context-dependent processing of negations

Directory of Open Access Journals (Sweden)

Enrico Rubaltelli

2008-12-01

Full Text Available Three experiments demonstrate how the processing of negations is contingent on the evaluation context in which the negative information is presented. In addition, the strategy used to process the negations induced different affective reactions toward the stimuli, leading to inconsistency of preference. Participants were presented with stimuli described by either stating the presence of positive features (explicitly positive alternative or negating the presence of negative features (non-negative alternative. Alternatives were presented for either joint (JE or separate evaluation (SE. Experiment 1 showed that the non-negative stimuli were judged less attractive than the positive ones in JE but not in SE. Experiment 2 revealed that the non-negative stimuli induced a less clear and less positive feeling when they were paired with explicitly positive stimuli rather than evaluated separately. Non-negative options were also found less easy to judge than the positive ones in JE but not in SE. Finally, Experiment 3 showed that people process negations using two different models depending on the evaluation mode. Through a memory task, we found that in JE people process the non-negative attributes as negations of negative features, whereas in SE they directly process the non-negative attributes as positive features.

Development of the Fischer-Tropsch Process: From the Reaction Concept to the Process Book

Directory of Open Access Journals (Sweden)

Boyer C.

2016-05-01

Full Text Available The process development by IFP Energies nouvelles (IFPEN/ENI/Axens of a Fischer-Tropsch process is described. This development is based on upstream process studies to choose the process scheme, reactor technology and operating conditions, and downstream to summarize all development work in a process guide. A large amount of work was devoted to the catalyst performances on one hand and the scale-up of the slurry bubble reactor with dedicated complementary tools on the other hand. Finally, an original approach was implemented to validate both the process and catalyst on an industrial scale by combining a 20 bpd unit in ENI’s Sannazzaro refinery, with cold mock-ups equivalent to 20 and 1 000 bpd at IFPEN and a special “Large Validation Tool” (LVT which reproduces the combined effect of chemical reaction condition stress and mechanical stress equivalent to a 15 000 bpd industrial unit. Dedicated analytical techniques and a dedicated model were developed to simulate the whole process (reactor and separation train, integrating a high level of complexity and phenomena coupling to scale-up the process in a robust reliable base on an industrial scale.

SOLVING GLOBAL PROBLEMS USING COLLABORATIVE DESIGN PROCESSES

DEFF Research Database (Denmark)

Lenau, Torben Anker; Mejborn, Christina Okai

2011-01-01

In this paper we argue that use of collaborative design processes is a powerful means of bringing together different stakeholders and generating ideas in complex design situations. The collaborative design process was used in a workshop with international participants where the goal was to propos...

Graphene oxide for acid catalyzed-reactions: Effect of drying process

Science.gov (United States)

Gong, H. P.; Hua, W. M.; Yue, Y. H.; Gao, Z.

2017-03-01

Graphene oxides (GOs) were prepared by Hummers method through various drying processes, and characterized by XRD, SEM, FTIR, XPS and N2 adsorption. Their acidities were measured using potentiometric titration and acid-base titration. The catalytic properties were investigated in the alkylation of anisole with benzyl alcohol and transesterification of triacetin with methanol. GOs are active catalysts for both reaction, whose activity is greatly affected by their drying processes. Vacuum drying GO exhibits the best performance in transesterification while freezing drying GO is most active for alkylation. The excellent catalytic behavior comes from abundant surface acid sites as well as proper surface functional groups, which can be obtained by selecting appropriate drying process.

Hidden realities inside PBL design processes

DEFF Research Database (Denmark)

Pihl, Ole Verner

2015-01-01

Design Process, but is a group-based architecture and design education better than that which is individually based? How does PBL affect space, form, and creative processes? Hans Kiib, professor and one of the founders of the Department of Architecture and Design in Aalborg, describes his intentions...... are passing from a complex world into one based on super complexity? Could Gaston Bachelard (1958), who writes in his book The Poetic of Space "that poets and artists are born phenomenologists," help architecture and design students in their journey to find his/her own professional expression? This paper...

The Diels-Alder reaction: A powerful tool for the design of drug delivery systems and biomaterials.

Science.gov (United States)

Gregoritza, Manuel; Brandl, Ferdinand P

2015-11-01

Click reactions have the potential to greatly facilitate the development of drug delivery systems and biomaterials. These reactions proceed under mild conditions, give high yields, and form only inoffensive by-products. The Diels-Alder cycloaddition is one of the click reactions that do not require any metal catalyst; it is one of the most useful reactions in synthetic organic chemistry and material design. Herein, we highlight possible applications of the Diels-Alder reaction in pharmaceutics and biomedical engineering. Particular focus is placed on the synthesis of polymers and dendrimers for drug delivery, the preparation of functionalized surfaces, bioconjugation techniques, and applications of the Diels-Alder reaction in nanotechnology. Moreover, applications of the reaction for the preparation of hydrogels for drug delivery and tissue engineering are reviewed. A general introduction to the Diels-Alder reaction is presented, along with a discussion of potential pitfalls and challenges. At the end of the article, we provide a set of tools that may facilitate the application of the Diels-Alder reaction to solve important pharmaceutical or biomedical problems. Copyright © 2015 Elsevier B.V. All rights reserved.

Graphic Design in Libraries: A Conceptual Process

Science.gov (United States)

Ruiz, Miguel

2014-01-01

Providing successful library services requires efficient and effective communication with users; therefore, it is important that content creators who develop visual materials understand key components of design and, specifically, develop a holistic graphic design process. Graphic design, as a form of visual communication, is the process of…

Interfacial reactions in intermetallic matrix composites

International Nuclear Information System (INIS)

Cantrell, L.B.; Clevenger, E.M.; Perepezko, J.H.

1993-01-01

The thermal stability of advanced composites is dominated by the behavior of internal interfaces. Analysis of these internal interfaces often involves consideration of at least ternary order phase equilibria. Limited thermodynamic data exists for ternary and higher order systems. However, a combined approach based upon the use of binary data to estimate ternary phase equilibria and experimentally determined reaction pathways is effective in the analysis of interface reactions in composite systems. In blended powder samples, thermal analysis was used to find possible reaction temperatures, while X-ray analysis, EDS, and EPMA of diffusion couples were used to assess interdiffusion reaction pathways. The approach is illustrated by compatibility studies between TiAl and TiSi 2 at 1,100 C, and in-situ reactions between B 4 C and TiAl at 1300 C where multiple reaction sequences have been analyzed to provide guidance for the design of in-situ reaction processing of composites

EPR design tools. Integrated data processing tools

International Nuclear Information System (INIS)

Kern, R.

1997-01-01

In all technical areas, planning and design have been supported by electronic data processing for many years. New data processing tools had to be developed for the European Pressurized Water Reactor (EPR). The work to be performed was split between KWU and Framatome and laid down in the Basic Design contract. The entire plant was reduced to a logical data structure; the circuit diagrams and flowsheets of the systems were drafted, the central data pool was established, the outlines of building structures were defined, the layout of plant components was planned, and the electrical systems were documented. Also building construction engineering was supported by data processing. The tasks laid down in the Basic Design were completed as so-called milestones. Additional data processing tools also based on the central data pool are required for the phases following after the Basic Design phase, i.e Basic Design Optimization; Detailed Design; Management; Construction, and Commissioning. (orig.) [de

Modelling, Design, Operability and Analysis of Reaction-Separation Systems

DEFF Research Database (Denmark)

Jimenez, Edgar Ramirez

2006-01-01

opførsel er essentiel for bedste valg af operationsstrategi kontrolstruktur. Denne modelbaserede metode har vist sit potentiale for mere komplekse RSE processer til at identificere de vigtigste problemer fra det integrerede design og kontrolproblem. Bemærk at identifikationen af de vigtige design og...

Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

Directory of Open Access Journals (Sweden)

Matthew J Simpson

Full Text Available Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0reaction rate, and (iv the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t.

Conceptual design of distillation-based hybrid separation processes.

Science.gov (United States)

Skiborowski, Mirko; Harwardt, Andreas; Marquardt, Wolfgang

2013-01-01

Hybrid separation processes combine different separation principles and constitute a promising design option for the separation of complex mixtures. Particularly, the integration of distillation with other unit operations can significantly improve the separation of close-boiling or azeotropic mixtures. Although the design of single-unit operations is well understood and supported by computational methods, the optimal design of flowsheets of hybrid separation processes is still a challenging task. The large number of operational and design degrees of freedom requires a systematic and optimization-based design approach. To this end, a structured approach, the so-called process synthesis framework, is proposed. This article reviews available computational methods for the conceptual design of distillation-based hybrid processes for the separation of liquid mixtures. Open problems are identified that must be addressed to finally establish a structured process synthesis framework for such processes.

The Role(s) of Process Models in Design Practice

DEFF Research Database (Denmark)

Iversen, Søren; Jensen, Mads Kunø Nyegaard; Vistisen, Peter

2018-01-01

This paper investigates how design process models are implemented and used in design-driven organisations. The archetypical theoretical framing of process models, describe their primary role as guiding the design process, and assign roles and deliverables throughout the process. We hypothesise...... that the process models also take more communicative roles in practice, both in terms of creating an internal design rationale, as well as demystifying the black box of design thinking to external stakeholders. We investigate this hypothesis through an interview study of four major danish design......-driven organisations, and analyse the different roles their archetypical process models take in their organisations. The main contribution is the identification of three, often overlapping roles, which design process models showed to assume in design-driven organisations: process guidance, adding transparency...

Program BETA for simulation of particle decays and reactions

International Nuclear Information System (INIS)

Takhtamyshev, G.G.; Merkulova, T.A.

1997-01-01

Program BETA is designed for simulation of particle decays and reactions. The program also produces integration over the phase space and decay rate or the reaction cross section are calculated as a result of such integration. At the simulation process the adaptive random number generator SMART may be used, what is found to be useful for some difficult cases

A Robust Process Analytical Technology (PAT) System Design for Crystallization Processes

DEFF Research Database (Denmark)

Abdul Samad, Noor Asma Fazli Bin; Sin, Gürkan; Gernaey, Krist

2013-01-01

A generic computer-aided framework for systematic design of a process monitoring and control system for crystallization processes has been developed to study various aspects of crystallization operations. The design framework contains a generic multidimensional modelling framework, a tool for gen...

Model based process-product design and analysis

DEFF Research Database (Denmark)

Gani, Rafiqul

This paper gives a perspective on modelling and the important role it has within product-process design and analysis. Different modelling issues related to development and application of systematic model-based solution approaches for product-process design is discussed and the need for a hybrid...... model-based framework is highlighted. This framework should be able to manage knowledge-data, models, and associated methods and tools integrated with design work-flows and data-flows for specific product-process design problems. In particular, the framework needs to manage models of different types......, forms and complexity, together with their associated parameters. An example of a model-based system for design of chemicals based formulated products is also given....

Information processing theory in the early design stages

DEFF Research Database (Denmark)

Cash, Philip; Kreye, Melanie

2014-01-01

suggestions for improvements and support. One theory that may be particularly applicable to the early design stages is Information Processing Theory (IPT) as it is linked to the design process with regard to the key concepts considered. IPT states that designers search for information if they perceive......, the new knowledge is shared between the design team to reduce ambiguity with regards to its meaning and to build a shared understanding – reducing perceived uncertainty. Thus, we propose that Information-Processing Theory is suitable to describe designer activity in the early design stages...... uncertainty with regard to the knowledge necessary to solve a design challenge. They then process this information and compare if the new knowledge they have gained covers the previous knowledge gap. In engineering design, uncertainty plays a key role, particularly in the early design stages which has been...

Process and apparatus for producing nuclear fusion reactions

International Nuclear Information System (INIS)

Maglich, B.C.; Nering, J.E.; Mazarakis, M.G.; Miller, R.A.

1976-01-01

A process is submitted for the production of fusion reactions between particles of like polarity. This process consists essentially in delimitating a pumped down space comprising a central axis and a central plane arranged radially, and perpendicular to this central axis, in developing in this space a magnetic field the intensity of which decreases when the radial distance increases from the central axis and of which the intensity increases from the central plane, along this central axis. Particles of the same polarity are produced according to a population distribution in which the density of the particles in the greatest vibrational state exceeds the density of the particles in the greatest vibrational state in a normal distribution. These particles are injected near the centre of the magnetic field, by radial injection towards the inside as from the periphery of the space, in the same plane as the central plane [fr

On Intelligent Design and Planning Method of Process Route Based on Gun Breech Machining Process

Science.gov (United States)

Hongzhi, Zhao; Jian, Zhang

2018-03-01

The paper states an approach of intelligent design and planning of process route based on gun breech machining process, against several problems, such as complex machining process of gun breech, tedious route design and long period of its traditional unmanageable process route. Based on gun breech machining process, intelligent design and planning system of process route are developed by virtue of DEST and VC++. The system includes two functional modules--process route intelligent design and its planning. The process route intelligent design module, through the analysis of gun breech machining process, summarizes breech process knowledge so as to complete the design of knowledge base and inference engine. And then gun breech process route intelligently output. On the basis of intelligent route design module, the final process route is made, edited and managed in the process route planning module.

Design of plutonium processing facilities

International Nuclear Information System (INIS)

Derbyshire, W.; Sills, R.J.

1982-01-01

Five considerations for the design of plutonium processing facilities are identified. These are: Toxicity, Radiation, Criticality, Containment and Remote Operation. They are examined with reference to reprocessing spent nuclear fuel and application is detailed both for liquid and dry processes. (author)

Energy spectrum of 208Pb(n,x) reactions

Science.gov (United States)

Tel, E.; Kavun, Y.; Özdoǧan, H.; Kaplan, A.

2018-02-01

Fission and fusion reactor technologies have been investigated since 1950's on the world. For reactor technology, fission and fusion reaction investigations are play important role for improve new generation technologies. Especially, neutron reaction studies have an important place in the development of nuclear materials. So neutron effects on materials should study as theoretically and experimentally for improve reactor design. For this reason, Nuclear reaction codes are very useful tools when experimental data are unavailable. For such circumstances scientists created many nuclear reaction codes such as ALICE/ASH, CEM95, PCROSS, TALYS, GEANT, FLUKA. In this study we used ALICE/ASH, PCROSS and CEM95 codes for energy spectrum calculation of outgoing particles from Pb bombardment by neutron. While Weisskopf-Ewing model has been used for the equilibrium process in the calculations, full exciton, hybrid and geometry dependent hybrid nuclear reaction models have been used for the pre-equilibrium process. The calculated results have been discussed and compared with the experimental data taken from EXFOR.

Process Materialization Using Templates and Rules to Design Flexible Process Models

Science.gov (United States)

Kumar, Akhil; Yao, Wen

The main idea in this paper is to show how flexible processes can be designed by combining generic process templates and business rules. We instantiate a process by applying rules to specific case data, and running a materialization algorithm. The customized process instance is then executed in an existing workflow engine. We present an architecture and also give an algorithm for process materialization. The rules are written in a logic-based language like Prolog. Our focus is on capturing deeper process knowledge and achieving a holistic approach to robust process design that encompasses control flow, resources and data, as well as makes it easier to accommodate changes to business policy.

Reaction behavior of SO2 in the sintering process with flue gas recirculation.

Science.gov (United States)

Yu, Zhi-Yuan; Fan, Xiao-Hui; Gan, Min; Chen, Xu-Ling; Chen, Qiang; Huang, Yun-Song

2016-07-01

The primary goal of this paper is to reveal the reaction behavior of SO2 in the sinter zone, combustion zone, drying-preheating zone, and over-wet zone during flue gas recirculation (FGR) technique. The results showed that SO2 retention in the sinter zone was associated with free-CaO in the form of CaSO3/CaSO4, and the SO2 adsorption reached a maximum under 900ºC. SO2 in the flue gas came almost from the combustion zone. One reaction behavior was the oxidation of sulfur in the sintering mix when the temperature was between 800 and 1000ºC; the other behavior was the decomposition of sulfite/sulfate when the temperature was over 1000ºC. However, the SO2 adsorption in the sintering bed mainly occurred in the drying-preheating zone, adsorbed by CaCO3, Ca(OH)2, and CaO. When the SO2 adsorption reaction in the drying-preheating zone reached equilibrium, the excess SO2 gas continued to migrate to the over-wet zone and was then absorbed by Ca(OH)2 and H2O. The emission rising point of SO2 moved forward in combustion zone, and the concentration of SO2 emissions significantly increased in the case of flue gas recirculation (FGR) technique. Aiming for the reuse of the sensible heat and a reduction in exhaust gas emission, the FGR technique is proposed in the iron ore sintering process. When using the FGR technique, SO2 emission in exhaust gas gets changed. In practice, the application of the FGR technique in a sinter plant should be cooperative with the flue gas desulfurization (FGD) technique. Thus, it is necessary to study the influence of the FGR technique on SO2 emissions because it will directly influence the demand and design of the FGD system.

Modeling and simulation for process and safeguards system design

International Nuclear Information System (INIS)

Gutmacher, R.G.; Kern, E.A.; Duncan, D.R.; Benecke, M.W.

1983-01-01

A computer modeling and simulation approach that meets the needs of both the process and safeguards system designers is described. The results have been useful to Westinghouse Hanford Company process designers in optimizing the process scenario and operating scheme of the Secure Automated Fabrication line. The combined process/measurements model will serve as the basis for design of the safeguards system. Integration of the process design and the safeguards system design should result in a smoothly operating process that is easier to safeguard

Reaction-Diffusion Automata Phenomenology, Localisations, Computation

CERN Document Server

Adamatzky, Andrew

2013-01-01

Reaction-diffusion and excitable media are amongst most intriguing substrates. Despite apparent simplicity of the physical processes involved the media exhibit a wide range of amazing patterns: from target and spiral waves to travelling localisations and stationary breathing patterns. These media are at the heart of most natural processes, including morphogenesis of living beings, geological formations, nervous and muscular activity, and socio-economic developments.   This book explores a minimalist paradigm of studying reaction-diffusion and excitable media using locally-connected networks of finite-state machines: cellular automata and automata on proximity graphs. Cellular automata are marvellous objects per se because they show us how to generate and manage complexity using very simple rules of dynamical transitions. When combined with the reaction-diffusion paradigm the cellular automata become an essential user-friendly tool for modelling natural systems and designing future and emergent computing arch...

A General Strategy for Nanohybrids Synthesis via Coupled Competitive Reactions Controlled in a Hybrid Process

OpenAIRE

Wang, Rongming; Yang, Wantai; Song, Yuanjun; Shen, Xiaomiao; Wang, Junmei; Zhong, Xiaodi; Li, Shuai; Song, Yujun

2015-01-01

A new methodology based on core alloying and shell gradient-doping are developed for the synthesis of nanohybrids, realized by coupled competitive reactions, or sequenced reducing-nucleation and co-precipitation reaction of mixed metal salts in a microfluidic and batch-cooling process. The latent time of nucleation and the growth of nanohybrids can be well controlled due to the formation of controllable intermediates in the coupled competitive reactions. Thus, spatiotemporal-resolved synthesi...

Design of object processing systems

NARCIS (Netherlands)

Grigoras, D.R.; Hoede, C.

Object processing systems are met rather often in every day life, in industry, tourism, commerce, etc. When designing such a system, many problems can be posed and considered, depending on the scope and purpose of design. We give here a general approach which involves graph theory, and which can

Sociotechnical design processes and working environment: The case of a continuous process wok

DEFF Research Database (Denmark)

Broberg, Ole

2000-01-01

A five-year design process of a continuous process wok has been studied with the aim of elucidating the conditions for integrating working environment aspects. The design process is seen as a network building activity and as a social shaping process of the artefact. A working environment log...... is suggested as a tool designers can use to integrate considerations of future operators' working environment....

Integrated Process Design and Control of Multi-element Reactive Distillation Processes

DEFF Research Database (Denmark)

Mansouri, Seyed Soheil; Sales-Cruz, Mauricio; Huusom, Jakob Kjøbsted

2016-01-01

In this work, integrated process design and control of reactive distillation processes involving multi-elements is presented. The reactive distillation column is designed using methods and tools which are similar in concept to non-reactive distillation design methods, such as driving force approach....... The methods employed in this work are based on equivalent element concept. This concept facilitates the representation of a multi-element reactive system as equivalent binary light and heavy key elements. First, the reactive distillation column is designed at the maximum driving force where through steady...

Potential Applications of Zeolite Membranes in Reaction Coupling Separation Processes

Directory of Open Access Journals (Sweden)

Tunde V. Ojumu

2012-10-01

Full Text Available Future production of chemicals (e.g., fine and specialty chemicals in industry is faced with the challenge of limited material and energy resources. However, process intensification might play a significant role in alleviating this problem. A vision of process intensification through multifunctional reactors has stimulated research on membrane-based reactive separation processes, in which membrane separation and catalytic reaction occur simultaneously in one unit. These processes are rather attractive applications because they are potentially compact, less capital intensive, and have lower processing costs than traditional processes. Therefore this review discusses the progress and potential applications that have occurred in the field of zeolite membrane reactors during the last few years. The aim of this article is to update researchers in the field of process intensification and also provoke their thoughts on further research efforts to explore and exploit the potential applications of zeolite membrane reactors in industry. Further evaluation of this technology for industrial acceptability is essential in this regard. Therefore, studies such as techno-economical feasibility, optimization and scale-up are of the utmost importance.

Modelling of chalcopyrite oxidation reactions in the Outokumpu flash smelting process

Energy Technology Data Exchange (ETDEWEB)

Ahokainen, T.; Jokilaakso, A. [Helsinki Univ. of Technology, Otaniemi (Finland)

1996-12-31

A mathematical model for simulating oxidation reactions of chalcopyrite particles together with momentum, heat and mass transfer between particle and gas phase in a flash smelting furnace reaction shaft is presented. In simulation, the equations governing the gas flow are solved numerically with a commercial fluid flow package, Phoenics. The particle phase is introduced into the gas flow by a Particle Source In Cell (PSIC) - technique, where a number of discrete particles is tracked in a gas flow and the relevant source terms for momentum, mass, and heat transfer are added to the gas phase equations. The gas phase equations used are elliptic in nature and the fluid turbulence is described by the (k-{epsilon}) -model. Thermal gas phase radiation is simulated with a six-flux radiation model. The chemical reactions of concentrate particles are assumed to happen at two sharp interfaces, and a shrinking core model is applied to describe the mass transfer of chemical species through the reaction product layer. In a molten state, the oxygen consumption is controlled by a film penetration concept. The reacting concentrate particles are a mixture of chalcopyrite and silica. Also a certain amount of pure inert silica is fed to the process as flux. In the simulations the calculation domain includes the concentrate burner and a cylindrical reaction shaft of an industrial scale flash smelting furnace. Some examples about the simulations carried out by the combustion model are presented. (author)

Modelling of chalcopyrite oxidation reactions in the Outokumpu flash smelting process

Energy Technology Data Exchange (ETDEWEB)

Ahokainen, T; Jokilaakso, A [Helsinki Univ. of Technology, Otaniemi (Finland)

1997-12-31

A mathematical model for simulating oxidation reactions of chalcopyrite particles together with momentum, heat and mass transfer between particle and gas phase in a flash smelting furnace reaction shaft is presented. In simulation, the equations governing the gas flow are solved numerically with a commercial fluid flow package, Phoenics. The particle phase is introduced into the gas flow by a Particle Source In Cell (PSIC) - technique, where a number of discrete particles is tracked in a gas flow and the relevant source terms for momentum, mass, and heat transfer are added to the gas phase equations. The gas phase equations used are elliptic in nature and the fluid turbulence is described by the (k-{epsilon}) -model. Thermal gas phase radiation is simulated with a six-flux radiation model. The chemical reactions of concentrate particles are assumed to happen at two sharp interfaces, and a shrinking core model is applied to describe the mass transfer of chemical species through the reaction product layer. In a molten state, the oxygen consumption is controlled by a film penetration concept. The reacting concentrate particles are a mixture of chalcopyrite and silica. Also a certain amount of pure inert silica is fed to the process as flux. In the simulations the calculation domain includes the concentrate burner and a cylindrical reaction shaft of an industrial scale flash smelting furnace. Some examples about the simulations carried out by the combustion model are presented. (author)

Documenting the Engineering Design Process

Science.gov (United States)

Hollers, Brent

2017-01-01

Documentation of ideas and the engineering design process is a critical, daily component of a professional engineer's job. While patent protection is often cited as the primary rationale for documentation, it can also benefit the engineer, the team, company, and stakeholders through creating a more rigorously designed and purposeful solution.…

Nuclear reactions

International Nuclear Information System (INIS)

Lane, A.M.

1980-01-01

In reviewing work at Harwell over the past 25 years on nuclear reactions it is stated that a balance has to be struck in both experiment and theory between work on cross-sections of direct practical relevance to reactors and on those relevant to an overall understanding of reaction processes. The compound nucleus and direct process reactions are described. Having listed the contributions from AERE, Harwell to developments in nuclear reaction research in the period, work on the optical model, neutron capture theory, reactions at doorway states with fine structure, and sum-rules for spectroscopic factors are considered in more detail. (UK)

Effects of Maillard reaction on allergenicity of buckwheat allergen Fag t 3 during thermal processing.

Science.gov (United States)

Yang, Zhen-Huang; Li, Chen; Li, Yu-Ying; Wang, Zhuan-Hua

2013-04-01

Fag t 3 is a major allergenic protein in tartary buckwheat. The Maillard reaction commonly occurs in food processing, but few studies have been conducted on the influence of thermal processing on the allergenic potential of buckwheat allergen. The aim of the present study was to investigate the effects of autologous plant polysaccharides on the immunoreactivity of buckwheat Fag t 3 (11S globulin) following the Maillard reaction. Fag t 3 and crude polysaccharides were prepared from tartary buckwheat (Fagopyrum tataricum) flour. After heating, the polysaccharides were covalently linked to Fag t 3 via a Maillard reaction, and the IgE/IgG-binding properties of Fag t 3 decreased dramatically, with significant changes also being observed in the electrophoretic mobility, secondary structure and solubility of the glycated Fag t 3. The great influence of glycation on IgE/IgG binding to Fag t 3 was correlated with a significant change in the structure and epitopes of the allergenic protein. These data indicated that conjugation of polysaccharides to Fag t 3 markedly reduced the allergen's immunoreactivity. Glycation that occurs via the Maillard reaction during the processing of buckwheat food may be an efficient method to reduce Fag t 3 allergenicity. © 2012 Society of Chemical Industry.

Simulation-based optimization for product and process design

NARCIS (Netherlands)

Driessen, L.

2006-01-01

The design of products and processes has gradually shifted from a purely physical process towards a process that heavily relies on computer simulations (virtual prototyping). To optimize this virtual design process in terms of speed and final product quality, statistical methods and mathematical

Systematic Integrated Process Design and Control of Binary Element Reactive Distillation Processes

DEFF Research Database (Denmark)

Mansouri, Seyed Soheil; Sales-Cruz, Mauricio; Huusom, Jakob Kjøbsted

2016-01-01

In this work, integrated process design and control of reactive distillation processes is considered through a computer-aided framework. First, a set of simple design methods for reactive distillation column that are similar in concept to non-reactive distillation design methods are extended...... to design-control of reactive distillation columns. These methods are based on the element concept where the reacting system of compounds is represented as elements. When only two elements are needed to represent the reacting system of more than two compounds, a binary element system is identified....... It is shown that the same design-control principles that apply to a non-reacting binary system of compounds are also valid for a reactive binary system of elements for distillation columns. Application of this framework shows that designing the reactive distillation process at the maximum driving force...

Reaction probability derived from an interpolation formula for diffusion processes with an absorptive boundary condition

International Nuclear Information System (INIS)

Misawa, T.; Itakura, H.

1995-01-01

The present article focuses on a dynamical simulation of molecular motion in liquids. In the simulation involving diffusion-controlled reaction with discrete time steps, lack of information regarding the trajectory within the time step may result in a failure to count the number of reactions of the particles within the step. In order to rectify this, an interpolated diffusion process is used. The process is derived from a stochastic interpolation formula recently developed by the first author [J. Math. Phys. 34, 775 (1993)]. In this method, the probability that reaction has occurred during the time step given the initial and final positions of the particles is calculated. Some numerical examples confirm that the theoretical result corresponds to an improvement over the Clifford-Green work [Mol. Phys. 57, 123 (1986)] on the same matter

A novel design of reactive distillation configuration for 2-methoxy-2-methylheptane process

Directory of Open Access Journals (Sweden)

Hussain Arif

2017-01-01

Full Text Available The study aims to reveal the possibility of reactive distillation (RD in the 2-methoxy-2-methylheptane (MMH production process. MMH is getting more industrial and academic interests as a gasoline additive to replace methyl tert-butyl ether. Traditionally, MMH is obtained by carrying out the reaction in the reactor followed by three distillation columns. The high yield of MMH could be achieved by keeping the large reactor size or by using the large excess of 2-methyl-1-heptene (MH. Both former and latter strategies are associated with the high capital and operating costs. To solve these problems, this study proposed an innovative RD configuration to take synergistic benefits of reaction and separation involved. This innovative RD configuration allows the production of MMH with significantly lower capital, operating and total annual costs. For desired MMH yield, the result demonstrates that the proposed RD configuration can reduce energy, capital, and total annual costs up to 7.7, 31.3, and 17.1%, respectively, compared to a conventional process. Furthermore, the influence of some important design parameters on the RD column performance was also explored to overcome the temperature limitation of acid resin catalyst inside the reactive zone of the RD column.

Strategies for Innovation in Multicomponent Reaction Design

OpenAIRE

Ganem, Bruce

2009-01-01

By generating structural complexity in a single step from three or more reactants, multicomponent reactions (MCRs) make it possible to synthesize target compounds with greater efficiency and atom economy. The history of such reactions can be traced to the mid-nineteenth century when Strecker first produced α-aminonitriles from the condensation of aldehydes with ammonia and hydrogen cyanide.

Process design (exterior – interior design)

OpenAIRE

Sandeva, Vaska; Despot, Katerina

2013-01-01

The design is a complex process of spatial organization and creative problem object. It switched to the study of complex natural conditions (analysis and evaluation) and the development of compositional solution structure of the object. Construction and shaping of all buildings whether it is exterior or interior, be it street, Square apartment building, park or greater forest massif, public facility (administrative buildings, hospitals, schools, galleries etc.), residential object (garsion...

Design of remote handled process assemblies for the process facility modifications project

International Nuclear Information System (INIS)

Smets, J.L.; Ajifu, D.A.

1987-01-01

The modular design philosophy for the process facility modification project utilizes an integrated design of components to facilitate operations and maintenance of nuclear fuel reprocessing equipment in a hot cell environment. The utilization of a matrix of remoteable base frames combines with process equipment designed as remote assemblies and sub-assemblies has simplified the overall design. Modularity will allow future flexibility while providing advantages for construction and maintenance in the initial installation

Direct injection of superheated steam for continuous hydrolysis reaction

KAUST Repository

Wang, Weicheng

2012-09-01

The primary intent for previous continuous hydrolysis studies was to minimize the reaction temperature and reaction time. In this work, hydrolysis is the first step of a proprietary chemical process to convert lipids to sustainable, drop-in replacements for petroleum based fuels. To improve the economics of the process, attention is now focused on optimizing the energy efficiency of the process, maximizing the reaction rate, and improving the recovery of the glycerol by-product. A laboratory-scale reactor system has been designed and built with this goal in mind.Sweet water (water with glycerol from the hydrolysis reaction) is routed to a distillation column and heated above the boiling point of water at the reaction pressure. The steam pressure allows the steam to return to the reactor without pumping. Direct injection of steam into the hydrolysis reactor is shown to provide favorable equilibrium conditions resulting in a high quality of FFA product and rapid reaction rate, even without preheating the inlet water and oil and with lower reactor temperatures and lower fresh water demand. The high enthalpy of the steam provides energy for the hydrolysis reaction. Steam injection offers enhanced conditions for continuous hydrolysis of triglycerides to high-purity streams of FFA and glycerol. © 2012 Elsevier B.V.

Facilitating Teamwork in the Design Process

DEFF Research Database (Denmark)

Bang, Anne Louise; Nissen, Kirsten

2009-01-01

By approaching the Repertory Grid as an exploratory design game and drawing on insight in diagrammatic reasoning we argue that this approach is useful in supporting team work in the design process. In this paper we draw on two courses inviting textile design students to contribute to the developm...

A Systematic Approach for the Design and Analysis of Reaction-Separation Systems with Recycle

DEFF Research Database (Denmark)

Gani, Rafiqul; Jimenez, Edgar Ramirez

2004-01-01

This paper presents a methodology for a systematic model-based analysis and the results obtained from it for an integrated design and analysis of reaction-separation systems with recycle. The methodology (systematic approach) consists of three stages where stage 1 identifies the limiting values...

REVERSING THE CO-DESIGN PROCESS

DEFF Research Database (Denmark)

Lundsgaard, Christina

2011-01-01

a traditional codesign process the POE looks back on the process in order to adjust or redesign the building. The paper argues that co-design tools can be an instrument to make architects and other stakeholders reflect on the project once again in order to see it from a different perspective....

Design variables and constraints in fashion store design processes

DEFF Research Database (Denmark)

Haug, Anders; Borch Münster, Mia

2015-01-01

is to identify the most important store design variables, organise these variables into categories, understand the design constraints between categories, and determine the most influential stakeholders. Design/methodology/approach: – Based on a discussion of existing literature, the paper defines a framework...... into categories, provides an understanding of constraints between categories of variables, and identifies the most influential stakeholders. The paper demonstrates that the fashion store design task can be understood through a system perspective, implying that the store design task becomes a matter of defining......Purpose: – Several frameworks of retail store environment variables exist, but as shown by this paper, they are not particularly well-suited for supporting fashion store design processes. Thus, in order to provide an improved understanding of fashion store design, the purpose of this paper...

Bayesian estimation for quantification by real-time polymerase chain reaction under a branching process model of the DNA molecules amplification process

NARCIS (Netherlands)

Lalam, N.; Jacob, C.

2007-01-01

The aim of Quantitative Polymerase Chain Reaction is to determine the initial amount X0 of specific nucleic acids from an observed trajectory of the amplification process, the amplification being achieved through successive replication cycles. This process depends on the efficiency fpngn of

Integrating rock mechanics issues with repository design through design process principles and methodology

International Nuclear Information System (INIS)

Bieniawski, Z.T.

1996-01-01

A good designer needs not only knowledge for designing (technical know-how that is used to generate alternative design solutions) but also must have knowledge about designing (appropriate principles and systematic methodology to follow). Concepts such as open-quotes design for manufactureclose quotes or open-quotes concurrent engineeringclose quotes are widely used in the industry. In the field of rock engineering, only limited attention has been paid to the design process because design of structures in rock masses presents unique challenges to the designers as a result of the uncertainties inherent in characterization of geologic media. However, a stage has now been reached where we are be able to sufficiently characterize rock masses for engineering purposes and identify the rock mechanics issues involved but are still lacking engineering design principles and methodology to maximize our design performance. This paper discusses the principles and methodology of the engineering design process directed to integrating site characterization activities with design, construction and performance of an underground repository. Using the latest information from the Yucca Mountain Project on geology, rock mechanics and starter tunnel design, the current lack of integration is pointed out and it is shown how rock mechanics issues can be effectively interwoven with repository design through a systematic design process methodology leading to improved repository performance. In essence, the design process is seen as the use of design principles within an integrating design methodology, leading to innovative problem solving. In particular, a new concept of open-quotes Design for Constructibility and Performanceclose quotes is introduced. This is discussed with respect to ten rock mechanics issues identified for repository design and performance

Nonperfect synchronization of bond-forming and bond-rupturing processes in the reaction H + H2 → H2 + H

International Nuclear Information System (INIS)

Chandra, A.K.; Rao, V.S.

1996-01-01

The simplest prototypical hydrogen transfer reaction, i.e., H + H 2 → H 2 + H, is studied by the quantum-mechanical ab initio methods. Results reveal that during this reaction free valence which almost equals the square of the spin density develops on the migrating hydrogen atom. Bond orders are calculated using Mayer's formalism. Both the variations of bond orders and bond lengths along the reaction path are examined. This analysis reveals that the bond formation and bond cleavage processes in this reaction are not perfectly synchronous. The bond clevage process is slightly more advanced on the reaction path. 38 refs., 6 figs., 2 tabs

Design and Stability of an On-Orbit Attitude Control System Using Reaction Control Thrusters

Science.gov (United States)

Hall, Robert A.; Hough, Steven; Orphee, Carolina; Clements, Keith

2016-01-01

Basic principles for the design and stability of a spacecraft on-orbit attitude control system employing on-off Reaction Control System (RCS) thrusters are presented. Both vehicle dynamics and the control system actuators are inherently nonlinear, hence traditional linear control system design approaches are not directly applicable. This paper has two main aspects: It summarizes key RCS design principles from earlier NASA vehicles, notably the Space Shuttle and Space Station programs, and introduces advances in the linear modelling and analyses of a phase plane control system derived in the initial development of the NASA's next upper stage vehicle, the Exploration Upper Stage (EUS). Topics include thruster hardware specifications, phase plane design and stability, jet selection approaches, filter design metrics, and RCS rotational maneuver logic.

Creativity Processes of Students in the Design Studio

Science.gov (United States)

Huber, Amy Mattingly; Leigh, Katharine E.; Tremblay, Kenneth R., Jr.

2012-01-01

The creative process is a multifaceted and dynamic path of thinking required to execute a project in design-based disciplines. The goal of this research was to test a model outlining the creative design process by investigating student experiences in a design project assignment. The study used an exploratory design to collect data from student…

Catalytic process for tritium exchange reaction

International Nuclear Information System (INIS)

Hansoo Lee; Kang, H.S.; Paek, S.W.; Hongsuk Chung; Yang Geun Chung; Sook Kyung Lee

2001-01-01

The catalytic activities for a hydrogen isotope exchange were measured through the reaction of a vapor and gas mixture. The catalytic activity showed to be comparable with the published data. Since the gas velocity is relatively low, the deactivation was not found clearly during the 5-hour experiment. Hydrogen isotope transfer experiments were also conducted through the liquid phase catalytic exchange reaction column that consisted of a catalytic bed and a hydrophilic bed. The efficiencies of both the catalytic and hydrophilic beds were higher than 0.9, implying that the column performance was excellent. (author)

The (n, $\\gamma$) reaction in the s-process branching point $^{59}$Ni

CERN Multimedia

We propose to measure the $^{59}$Ni(n,$\\gamma$)$^{56}$Fe cross section at the neutron time of flight (n TOF) facility with a dedicated chemical vapor deposition (CVD) diamond detector. The (n, ) reaction in the radioactive $^{59}$Ni is of relevance in nuclear astrophysics as it can be seen as a rst branching point in the astrophysical s-process. Its relevance in nuclear technology is especially related to material embrittlement in stainless steel. There is a strong discrepancy between available experimental data and the evaluated nuclear data les for this isotope. The aim of the measurement is to clarify this disagreement. The clear energy separation of the reaction products of neutron induced reactions in $^{59}$Ni makes it a very suitable candidate for a rst cross section measurement with the CVD diamond detector, which should serve in the future for similar measurements at n_TOF.

Using Multiscale Modeling to Study Coupled Flow, Transport, Reaction and Biofilm Growth Processes in Porous Media

Science.gov (United States)

Valocchi, A. J.; Laleian, A.; Werth, C. J.

2017-12-01

Perturbation of natural subsurface systems by fluid inputs may induce geochemical or microbiological reactions that change porosity and permeability, leading to complex coupled feedbacks between reaction and transport processes. Some examples are precipitation/dissolution processes associated with carbon capture and storage and biofilm growth associated with contaminant transport and remediation. We study biofilm growth due to mixing controlled reaction of multiple substrates. As biofilms grow, pore clogging occurs which alters pore-scale flow paths thus changing the mixing and reaction. These interactions are challenging to quantify using conventional continuum-scale porosity-permeability relations. Pore-scale models can accurately resolve coupled reaction, biofilm growth and transport processes, but modeling at this scale is not feasible for practical applications. There are two approaches to address this challenge. Results from pore-scale models in generic pore structures can be used to develop empirical relations between porosity and continuum-scale parameters, such as permeability and dispersion coefficients. The other approach is to develop a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled by a suitable method that ensures continuity of flux across the interface. Thus, regions of high reactivity where flow alteration occurs are resolved at the pore scale for accuracy while regions of low reactivity are resolved at the continuum scale for efficiency. This approach thus avoids the need for empirical upscaling relations in regions with strong feedbacks between reaction and porosity change. We explore and compare these approaches for several two-dimensional cases.

The design process and the use of computerized tools in control room design

International Nuclear Information System (INIS)

Wahlstroem, B.; Heinonen, R.; Ranta, J.; Haarla, J.

1985-09-01

Control room design has proven an important component when the safety and availability of a complex industrial process plant are considered. Many control room deficiencies can be traced back to oversights and other errors during the design process. The introduction of powerful computers and software for computer-aided design (CAD) offers one possibility when tools for improving the quality of design are being selected. The report gives a broad assessment of problems of design and the benefits of using computer-aided design. One proposal for a structure of a computer-aided design system is considered in more detail. In this system special emphasis has been laid on dealing with requirements during design process. A demonstration system has been built and sample system user dialogues are described. The report is the final report of the LIT3.1 project of the Nordic cooperation on human reliability in the energy production field. (author)

Nuclear reaction data and nuclear reactors

Energy Technology Data Exchange (ETDEWEB)

Paver, N [University of Trieste (Italy); Herman, M [International Atomic Energy Agency, Vienna (Austria); Gandini, A [ENEA, Rome (Italy)

2001-12-15

These two volumes contain the lecture notes of the workshop 'Nuclear Reaction Data and Nuclear Reactors: Physics, Design and Safety', which was held at the Abdus Salam ICTP in the Spring of 2000. The workshop consisted of five weeks of lecture courses followed by practical computer exercises on nuclear data treatment and design of nuclear power systems. The spectrum of topics is wide enough to timely cover the state-of-the-art and the perspectives of this broad field. The first two weeks were devoted to nuclear reaction models and nuclear data evaluation. Nuclear data processing for applications to reactor calculations was the subject of the third week. On the last two weeks reactor physics and on-going projects in nuclear power generation, waste disposal and safety were presented.

Integrated Design Process in Problem-Based Learning

DEFF Research Database (Denmark)

Knudstrup, Mary-Ann

2004-01-01

This article reports and reflects on the learning achievements and the educational experiences in connection with the first years of the curriculum in Architecture at Aalborg University ?s Civil Engineer Education in Architecture & Design. In the article I will focus on the learning activity and ...... the students need in order to concentrate, mobilize creativity and find the personal design language which is a precondition for making good architecture....... and the method that are developed during the semester when working with an Integrated Design Process combining architecture, design, functional aspects, energy consumption, indoor environment, technology, and construction. I will emphasize the importance of working with different tools in the design process, e...

The behaviour of radionuclides in gas adsorption chromatographic processes with superimposed chemical reactions (chlorides)

International Nuclear Information System (INIS)

Eichler, B.

1996-01-01

Thermochemical relationships are derived describing the gas adsorption chromatographic transport of carrier-free radionuclides. Especially, complex adsorption processes such as dissociative, associative and substitutive adsorption are dealt with. The comparison of experimental with calculated data allows the determination of the type of adsorption reaction, which is the basis of the respective gas chromatographic process. The behaviour of carrier-free radionuclides of elements Pu, Ce, Ru, Co and Cr in thermochromatographic experiments with chlorinating carrier gases can be described as dissociative adsorption of chlorides in higher oxidation states. The gas adsorption chromatographic transport of Zr with oxygen and chlorine containing carrier gas is shown to be a substitutive adsorption process. The consequences of superimposed chemical reactions on the interpretation of results and the conception of gas adsorption chromatographic experiments with carrier-free radionuclides in isothermal columns and in temperature gradient tubes is discussed. (orig.)

DECAB: process development of a phase change absorption process

NARCIS (Netherlands)

Sanchez Fernandez, E.; Goetheer, E.L.V.

2011-01-01

This work describes the conceptual design of a novel separation process for CO2 removal from flue gas based on precipitating solvents. The process here described (DECAB) is an enhanced CO2 absorption based on the Le Chatelier's principle, which states that reaction equilibrium can be shifted by

Failure is an option: Reactions to failure in elementary engineering design projects

Science.gov (United States)

Johnson, Matthew M.

Recent reform documents in science education have called for teachers to use epistemic practices of science and engineering researchers to teach disciplinary content (NRC, 2007; NRC, 2012; NGSS Lead States, 2013). Although this creates challenges for classroom teachers unfamiliar with engineering, it has created a need for high quality research about how students and teachers engage in engineering activities to improve curriculum development and teaching pedagogy. While framers of the Next Generation Science Standards (NRC, 2012; NGSS Lead States 2013) focused on the similarities of the practices of science researchers and engineering designers, some have proposed that engineering has a unique set of epistemic practices, including improving from failure (Cunningham & Carlsen, 2014; Cunningham & Kelly, in review). While no one will deny failures occur in science, failure in engineering is thought of in fundamentally different ways. In the study presented here, video data from eight classes of elementary students engaged in one of two civil engineering units were analyzed using methods borrowed from psychology, anthropology, and sociolinguistics to investigate: 1) the nature of failure in elementary engineering design; 2) the ways in which teachers react to failure; and 3) how the collective actions of students and teachers support or constrain improvement in engineering design. I propose new ways of considering the types and causes of failure, and note three teacher reactions to failure: the manager, the cheerleader, and the strategic partner. Because the goal of iteration in engineering is improvement, I also studied improvement. Students only systematically improve when they have the opportunity, productive strategies, and fair comparisons between prototypes. I then investigate the use of student engineering journals to assess learning from the process of improvement after failure. After discussion, I consider implications from this work as well as future research

THEORETICAL FRAMES FOR DESIGNING REVERSE LOGISTICS PROCESSES

OpenAIRE

Janusz K. Grabara; Sebastian Kot

2009-01-01

Logistics processes of return flow became more and more important in present business practice. Because of better customer satisfaction, environmental and financial aspects many enterprises deal with reverse logistics performance. The paper is a literature review focused on the design principles of reverse logistics processes Keywords: reverse logistics, designing.

ICR studies of some anionic gas phase reactions and FTICR software design

International Nuclear Information System (INIS)

Noest, A.J.

1983-01-01

This thesis consists of two parts. Part one (Chs. 1-5) reports experimental results from mostly drift-cell ICR studies of negative ion-molecule reactions; part two (Chs. 6-11) concerns the design of software for an FTICR instrument. The author discusses successively: 1. ion cyclotron resonance spectrometry; 2. the gas phase allyl anion; 3. the (M-H) and (M-H2) anions from acetone; 4. negative ion-molecule reactions of aliphatic nitrites studied by cyclotron resonance; 5. homoconjugation versus charge-dipole interaction effects in the stabilization of carbanions in the gas phase; 6. the Fourier Transform ICR method; 7. the FTICR-software; 8. an efficient adaptive matcher filter for fast transient signals; 9. reduction of spectral peak height errors by time-domain weighing; 10. Chirp excitation; 11. Compact data storage. The book concludes with a Dutch and English summary (G.J.P.)

Rational Design in Catalysis: A Mechanistic Study of β-Hydride Eliminations in Gold(I) and Gold(III) Complexes Based on Features of the Reaction Valley.

Science.gov (United States)

Castiñeira Reis, Marta; López, Carlos Silva; Kraka, Elfi; Cremer, Dieter; Faza, Olalla Nieto

2016-09-06

β-Hydride eliminations for ethylgold(III) dichloride complexes are identified as reactions with an unusually long prechemical stage corresponding to the conformational preparation of the reaction complex and spanning six phases. The prechemical process is characterized by a geared rotation of the L-Au-L group (L = Cl) driving methyl group rotation and causing a repositioning of the ligands. This requires more than 28 kcal/mol of the total barrier of 34.0 kcal/mol, according to the unified reaction valley approach, which also determines that the energy requirements of the actual chemical process leading to the β-elimination product are only about 5.5 kcal/mol. A detailed mechanistic analysis was used as a basis for a rational design of substrates (via substituents on the ethyl group) and/or ligands, which can significantly reduce the reaction barrier. This strategy takes advantage of either a higher trans activity of the ligands or a tuned electronic demand of the ethyl group. The β-hydride elimination of gold(I) was found to suffer from strong Coulomb and exchange repulsion when a positively charged hydrogen atom enforces a coordination position in a d(10)-configured gold atom, thus triggering an unassisted σ-π Au(I)-C conversion.

Knowledge and Processes in Design. DPS Final Report.

Science.gov (United States)

Pirolli, Peter

Four papers from a project concerning information-processing characterizations of the knowledge and processes involved in design are presented. The project collected and analyzed verbal protocols from instructional designers, architects, and mechanical engineers. A framework was developed for characterizing the problem spaces of design that…

Reaction Mechanism for m- Xylene Oxidation in the Claus Process by Sulfur Dioxide

KAUST Repository

Sinha, Sourab

2015-09-24

In the Claus process, the presence of aromatic contaminants such benzene, toluene, and xylenes (BTX), in the H2S feed stream has a detrimental effect on catalytic reactors, where BTX form soot particles and clog and deactivate the catalysts. Among BTX, xylenes are proven to be most damaging contaminant for catalysts. BTX oxidation in the Claus furnace, before they enter catalyst beds, provides a solution to this problem. A reaction kinetics study on m-xylene oxidation by SO2, an oxidant present in Claus furnace, is presented. The density functional theory is used to study the formation of m-xylene radicals (3-methylbenzyl, 2,6-dimethylphenyl, 2,4-dimethylphenyl, and 3,5-dimethylphenyl) through H-abstraction and their oxidation by SO2. The mechanism begins with SO2 addition on the radicals through an O-atom rather than the S-atom with the release of 180.0-183.1 kJ/mol of reaction energies. This exothermic reaction involves energy barriers in the range 3.9-5.2 kJ/mol for several m-xylene radicals. Thereafter, O-S bond scission takes place to release SO, and the O-atom remaining on aromatics leads to CO formation. Among four m-xylene radicals, the resonantly stabilized 3-methylbenzyl exhibited the lowest SO2 addition and SO elimination rates. The reaction rate constants are provided to facilitate Claus process simulations to find conditions suitable for BTX oxidation. © 2015 American Chemical Society.

Reaction Mechanism for m- Xylene Oxidation in the Claus Process by Sulfur Dioxide

KAUST Repository

Sinha, Sourab; Raj, Abhijeet; Al Shoaibi, Ahmed S.; Chung, Suk-Ho

2015-01-01

In the Claus process, the presence of aromatic contaminants such benzene, toluene, and xylenes (BTX), in the H2S feed stream has a detrimental effect on catalytic reactors, where BTX form soot particles and clog and deactivate the catalysts. Among BTX, xylenes are proven to be most damaging contaminant for catalysts. BTX oxidation in the Claus furnace, before they enter catalyst beds, provides a solution to this problem. A reaction kinetics study on m-xylene oxidation by SO2, an oxidant present in Claus furnace, is presented. The density functional theory is used to study the formation of m-xylene radicals (3-methylbenzyl, 2,6-dimethylphenyl, 2,4-dimethylphenyl, and 3,5-dimethylphenyl) through H-abstraction and their oxidation by SO2. The mechanism begins with SO2 addition on the radicals through an O-atom rather than the S-atom with the release of 180.0-183.1 kJ/mol of reaction energies. This exothermic reaction involves energy barriers in the range 3.9-5.2 kJ/mol for several m-xylene radicals. Thereafter, O-S bond scission takes place to release SO, and the O-atom remaining on aromatics leads to CO formation. Among four m-xylene radicals, the resonantly stabilized 3-methylbenzyl exhibited the lowest SO2 addition and SO elimination rates. The reaction rate constants are provided to facilitate Claus process simulations to find conditions suitable for BTX oxidation. © 2015 American Chemical Society.

describing a collaborative clothing design process between

African Journals Online (AJOL)

user

ISSN 0378-5254 Journal of Family Ecology and Consumer Sciences, Vol 43, 2015. Designing success: describing a ... PROCESS BETWEEN APPRENTICE DESIGNERS AND EXPERT DESIGN .... 5 Evaluation and decisions. (a) Outcomes.

A Self-Propagating Foaming Process of Porous Al-Ni Intermetallics Assisted by Combustion Reactions

Directory of Open Access Journals (Sweden)

Makoto Kobashi

2009-12-01

Full Text Available The self-propagating foaming process of porous Al-Ni intermetallics was investigated. Aluminum and nickel powders were blended, and titanium and boron carbide powders were added as reactive exothermic agents. The blended powder was extruded to make a rod-shape precursor. Only one end of the rod precursor was heated to ignite the reaction. The reaction propagated spontaneously throughout the precursor. Pore formation took place at the same time as the reaction occurred. Adding the exothermic agent was effective to increase the porosity. Preheating the precursor before the ignition was also very effective to produce porous Al-Ni intermetallics with high porosity.

Solid propellant processing factor in rocket motor design

Science.gov (United States)

1971-01-01

The ways are described by which propellant processing is affected by choices made in designing rocket engines. Tradeoff studies, design proof or scaleup studies, and special design features are presented that are required to obtain high product quality, and optimum processing costs. Processing is considered to include the operational steps involved with the lining and preparation of the motor case for the grain; the procurement of propellant raw materials; and propellant mixing, casting or extrusion, curing, machining, and finishing. The design criteria, recommended practices, and propellant formulations are included.

SHIPBUILDING PRODUCTION PROCESS DESIGN METHODOLOGY USING COMPUTER SIMULATION

OpenAIRE

Marko Hadjina; Nikša Fafandjel; Tin Matulja

2015-01-01

In this research a shipbuilding production process design methodology, using computer simulation, is suggested. It is expected from suggested methodology to give better and more efficient tool for complex shipbuilding production processes design procedure. Within the first part of this research existing practice for production process design in shipbuilding was discussed, its shortcomings and problem were emphasized. In continuing, discrete event simulation modelling method, as basis of sugge...

Design for embedded image processing on FPGAs

CERN Document Server

Bailey, Donald G

2011-01-01

"Introductory material will consider the problem of embedded image processing, and how some of the issues may be solved using parallel hardware solutions. Field programmable gate arrays (FPGAs) are introduced as a technology that provides flexible, fine-grained hardware that can readily exploit parallelism within many image processing algorithms. A brief review of FPGA programming languages provides the link between a software mindset normally associated with image processing algorithms, and the hardware mindset required for efficient utilization of a parallel hardware design. The bulk of the book will focus on the design process, and in particular how designing an FPGA implementation differs from a conventional software implementation. Particular attention is given to the techniques for mapping an algorithm onto an FPGA implementation, considering timing, memory bandwidth and resource constraints, and efficient hardware computational techniques. Extensive coverage will be given of a range of image processing...

Characterizing Information Processing With a Mobile Device: Measurement of Simple and Choice Reaction Time.

Science.gov (United States)

Burke, Daniel; Linder, Susan; Hirsch, Joshua; Dey, Tanujit; Kana, Daniel; Ringenbach, Shannon; Schindler, David; Alberts, Jay

2017-10-01

Information processing is typically evaluated using simple reaction time (SRT) and choice reaction time (CRT) paradigms in which a specific response is initiated following a given stimulus. The measurement of reaction time (RT) has evolved from monitoring the timing of mechanical switches to computerized paradigms. The proliferation of mobile devices with touch screens makes them a natural next technological approach to assess information processing. The aims of this study were to determine the validity and reliability of using of a mobile device (Apple iPad or iTouch) to accurately measure RT. Sixty healthy young adults completed SRT and CRT tasks using a traditional test platform and mobile platforms on two occasions. The SRT was similar across test modality: 300, 287, and 280 milliseconds (ms) for the traditional, iPad, and iTouch, respectively. The CRT was similar within mobile devices, though slightly faster on the traditional: 359, 408, and 384 ms for traditional, iPad, and iTouch, respectively. Intraclass correlation coefficients ranged from 0.79 to 0.85 for SRT and from 0.75 to 0.83 for CRT. The similarity and reliability of SRT across platforms and consistency of SRT and CRT across test conditions indicate that mobile devices provide the next generation of assessment platforms for information processing.

Study on the plasma reaction process of hydroxyl generation by strong electric field ionization discharge

International Nuclear Information System (INIS)

Bai Mindi; Deng Shufang; Bai Xiyao; Zhang Zhitao

2004-01-01

Considering the change in the structure of reaction room, dielectric materials and process technology, authors have specifically studied the plasma reaction process of creating hydroxyl radical OH * and e aq - from ionization of O 2 and H 2 O through a strong electric field discharge. The production volume of hydroxyl radical OH * is up to the project application level, and process technology meets the 12 laws of green chemistry, free from environmental pollution from the source. The authors have emphatically researched on the green method of flue gas desulfurization, which will ionize SO 2 , H 2 O and O 2 in the flue gas to synthesis H 2 SO 4 in molecular level within 0.8 s without absorbent and catalyst. (author)

Musical Instrument Design Process for Mobile Technology

OpenAIRE

Barraclough, Timothy J.; Carnegie, Dale A.; Kapur, Ajay

2015-01-01

This paper presents the iterative design process based upon multiple rounds of user studies that guided the the design of a novel social music application, Pyxis Minor. The application was designed based on the concept of democratising electronic music creation and performance. This required the development to be based upon user studies to inform and drive the development process in order to create a novel musical interface that can be enjoyed by users of any prior musicianship training.

Multidisciplinary systems engineering architecting the design process

CERN Document Server

Crowder, James A; Demijohn, Russell

2016-01-01

This book presents Systems Engineering from a modern, multidisciplinary engineering approach, providing the understanding that all aspects of systems design, systems, software, test, security, maintenance and the full life-cycle must be factored in to any large-scale system design; up front, not factored in later. It lays out a step-by-step approach to systems-of-systems architectural design, describing in detail the documentation flow throughout the systems engineering design process. It provides a straightforward look and the entire systems engineering process, providing realistic case studies, examples, and design problems that will enable students to gain a firm grasp on the fundamentals of modern systems engineering.  Included is a comprehensive design problem that weaves throughout the entire text book, concluding with a complete top-level systems architecture for a real-world design problem.

'What-if' design: a synthesis method in the design process

NARCIS (Netherlands)

Lutters, Diederick; Vaneker, Thomas H.J.; van Houten, Frederikus J.A.M.

2004-01-01

In integrating functions, information and control in the design and engineering cycle, the information content acts as a facilitator, whereas the processes involved actually effectuate the results of the development cycle. As combining processes in an effective and efficient manner becomes

Nuclear Astrophysics and Neutron Induced Reactions: Quasi-Free Reactions and RIBs

International Nuclear Information System (INIS)

Cherubini, S.; Spitaleri, C.; Crucilla, V.; Gulino, M.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Puglia, S.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Coc, A.; Kubono, S.; Binh, D. N.; Hayakawa, S.; Wakabayashi, Y.; Yamaguchi, H.; Burjan, V.; Kroha, V.; De Sereville, N.

2010-01-01

The use of quasi-free reactions in studying nuclear reactions between charged particles of astrophysical interest has received much attention over the last two decades. The Trojan Horse Method is based on this approach and it has been used to study a number of reactions relevant for Nuclear Astrophysics. Recently we applied this method to the study of nuclear reactions that involve radioactive species, namely to the study of the 18 F+p→ 15 O+α process at temperatures corresponding to the energies available in the classical novae scenario. Quasi-free reactions can also be exploited to study processes induced by neutrons. This technique is particularly interesting when applied to reaction induced by neutrons on unstable short-lived nuclei. Such processes are very important in the nucleosynthesis of elements in the sand r-processes scenarios and this technique can give hints for solving key questions in nuclear astrophysics where direct measurements are practically impossible.

Designing Participation Processes for Water Management and Beyond

Directory of Open Access Journals (Sweden)

Yorck von Korff

2010-09-01

Full Text Available This article addresses the question of how to design participation processes in water management and other fields. Despite a lot of work on participation, and especially its evaluation, this question has received little attention in the research literature. However, it is important, because previous research has made it clear that participation may yield important benefits for humans and the environment but that these benefits do not occur automatically. One precondition is sound design. The design of participation processes has been addressed in detail in the so-called "craft" literature but more rarely in the scientific literature. This article helps close this gap by systematically analyzing and comparing five design guides to determine whether it is possible to combine them into a more robust guide. The article confirms that possibility and presents a preliminary outline for such a guide. Principles for participatory process orientation are presented, as well as numerous partially iterative steps. The adaptive process is laid out in a way intended to help designers determine the objectives of the participation process and the initial design context, and make preplanning choices that eventually lead to the selection of suitable participation mechanisms. There are also design tools that facilitate this work. We discuss how our findings are largely compatible with previous research on participation, notably the work on criteria for "good" or "effective" participation processes. We also argue that our article advances research on an important remaining question in the scientific literature on participation: What process should be chosen in which context?

Temperature dependence on sodium-water chemical reaction

International Nuclear Information System (INIS)

Tamura, Kenta; Deguchi, Yoshihiro; Suzuki, Koichi; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2012-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using laser diagnostics. A quasi one-dimensional flame model is also applied to a sodium-water counter-flow reaction field. Temperature, H 2 , H 2 O, OH, Na and Particulate matter were measured using laser induced fluorescence and CARS in the counter-flow reaction field. The temperature of the reaction field was also modified to reduce the condensation of Na in the reaction zone. (author)

Study on in-situ electrochemical impedance spectroscopy measurement of anodic reaction in SO_2 depolarized electrolysis process

International Nuclear Information System (INIS)

Xue Lulu; Zhang Ping; Chen Songzhe; Wang Laijun

2014-01-01

SO_2 depolarized electrolysis (SDE) is the pivotal reaction in hybrid sulfur process, one of the most promising approaches for mass hydrogen production without CO_2 emission. The net result of hybrid sulfur process is to split water into hydrogen and oxygen at a relatively low voltage, which will dramatically decrease the energy consumption for the production of hydrogen. The potential loss of SDE process could be separated into four components, i.e. reversible cell potential, anode overpotential, cathode overpotential and ohmic loss. So far, it has been identified that the total cell potential for the SO_2 depolarized electrolyzer is dominantly controlled by sulfuric acid concentration of the anolyte and electrolysis temperature of the electrolysis process. In this work, an in-situ Electrochemical Impedance Spectroscopy (EIS) measurement of the anodic SDE reaction was conducted. Results show that anodic overpotential is mainly resulted from the SO_2 oxidation reaction other than ohmic resistance or mass transfer limitation. This study extends the understanding to SDE process and gives suggestions for the further improvement of the SDE performance. (author)

Nucleic acids for the rational design of reaction circuits.

Science.gov (United States)

Padirac, Adrien; Fujii, Teruo; Rondelez, Yannick

2013-08-01

Nucleic acid-based circuits are rationally designed in vitro assemblies that can perform complex preencoded programs. They can be used to mimic in silico computations. Recent works emphasized the modularity and robustness of these circuits, which allow their scaling-up. Another new development has led to dynamic, time-responsive systems that can display emergent behaviors like oscillations. These are closely related to biological architectures and provide an in vitro model of in vivo information processing. Nucleic acid circuits have already been used to handle various processes for technological or biotechnological purposes. Future applications of these chemical smart systems will benefit from the rapidly growing ability to design, construct, and model nucleic acid circuits of increasing size. Copyright © 2012 Elsevier Ltd. All rights reserved.

Multi-Criteria Approach in Multifunctional Building Design Process

Science.gov (United States)

Gerigk, Mateusz

2017-10-01

The paper presents new approach in multifunctional building design process. Publication defines problems related to the design of complex multifunctional buildings. Currently, contemporary urban areas are characterized by very intensive use of space. Today, buildings are being built bigger and contain more diverse functions to meet the needs of a large number of users in one capacity. The trends show the need for recognition of design objects in an organized structure, which must meet current design criteria. The design process in terms of the complex system is a theoretical model, which is the basis for optimization solutions for the entire life cycle of the building. From the concept phase through exploitation phase to disposal phase multipurpose spaces should guarantee aesthetics, functionality, system efficiency, system safety and environmental protection in the best possible way. The result of the analysis of the design process is presented as a theoretical model of the multifunctional structure. Recognition of multi-criteria model in the form of Cartesian product allows to create a holistic representation of the designed building in the form of a graph model. The proposed network is the theoretical base that can be used in the design process of complex engineering systems. The systematic multi-criteria approach makes possible to maintain control over the entire design process and to provide the best possible performance. With respect to current design requirements, there are no established design rules for multifunctional buildings in relation to their operating phase. Enrichment of the basic criteria with functional flexibility criterion makes it possible to extend the exploitation phase which brings advantages on many levels.

What are the Characteristics of Engineering Design Processes?

DEFF Research Database (Denmark)

Maier, Anja; Störrle, Harald

2011-01-01

This paper studies the characteristic properties of Engineering Design (ED) processes from a process modelling perspective. In a first step, we extracted nine characteristics of engineering design processes from the literature and in a second step validated the findings using results from our...... survey among academic and industrial ED process modelling experts. In a third step, we added a further nine characteristics from personal experiences in the Language Engineering Domain to capture the pragmatic perspective. We arrive at a comprehensive set of 18 characteristics grouped into 6 challenges...... for process modelling in the engineering design domain. The challenges process modelers need to address when using and developing process modelling approaches and tools are: Development, Collaboration, Products & Services, Formality, Pragmatics, and Flexibility. We then compare the importance of elicited...

Automated simulation and study of spatial-structural design processes

NARCIS (Netherlands)

Davila Delgado, J.M.; Hofmeyer, H.; Stouffs, R.; Sariyildiz, S.

2013-01-01

A so-called "Design Process Investigation toolbox" (DPI toolbox), has been developed. It is a set of computational tools that simulate spatial-structural design processes. Its objectives are to study spatial-structural design processes and to support the involved actors. Two case-studies are

Design of an Adaptive-Neural Network Attitude Controller of a Satellite using Reaction Wheels

Directory of Open Access Journals (Sweden)

Abbas Ajorkar

2015-04-01

Full Text Available In this paper, an adaptive attitude control algorithm is developed based on neural network for a satellite using four reaction wheels in a tetrahedron configuration. Then, an attitude control based on feedback linearization control has been designed and uncertainties in the moment of inertia matrix and disturbances torque have been considered. In order to eliminate the effect of these uncertainties, a multilayer neural network with back-propagation law is designed. In this structure, the parameters of the moment of inertia matrix and external disturbances are estimated and used in feedback linearization control law. Finally, the performance of the designed attitude controller is investigated by several simulations.

GA BASED GLOBAL OPTIMAL DESIGN PARAMETERS FOR ...

African Journals Online (AJOL)

Journal of Modeling, Design and Management of Engineering Systems ... DESIGN PARAMETERS FOR CONSECUTIVE REACTIONS IN SERIALLY CONNECTED ... for the process equipments such as chemical reactors used in industries.

Design Process Improvement for Electric CAR Harness

Science.gov (United States)

Sawatdee, Thiwarat; Chutima, Parames

2017-06-01

In an automobile parts design company, the customer satisfaction is one of the most important factors for product design. Therefore, the company employs all means to focus its product design process based on the various requirements of customers resulting in high number of design changes. The objective of this research is to improve the design process of the electric car harness that effects the production scheduling by using Fault Tree Analysis (FTA) and Failure Mode and Effect Analysis (FMEA) as the main tools. FTA is employed for root cause analysis and FMEA is used to ranking a High Risk Priority Number (RPN) which is shows the priority of factors in the electric car harness that have high impact to the design of the electric car harness. After the implementation, the improvements are realized significantly since the number of design change is reduced from 0.26% to 0.08%.

Reducing Design Cycle Time and Cost Through Process Resequencing

Science.gov (United States)

Rogers, James L.

2004-01-01

In today's competitive environment, companies are under enormous pressure to reduce the time and cost of their design cycle. One method for reducing both time and cost is to develop an understanding of the flow of the design processes and the effects of the iterative subcycles that are found in complex design projects. Once these aspects are understood, the design manager can make decisions that take advantage of decomposition, concurrent engineering, and parallel processing techniques to reduce the total time and the total cost of the design cycle. One software tool that can aid in this decision-making process is the Design Manager's Aid for Intelligent Decomposition (DeMAID). The DeMAID software minimizes the feedback couplings that create iterative subcycles, groups processes into iterative subcycles, and decomposes the subcycles into a hierarchical structure. The real benefits of producing the best design in the least time and at a minimum cost are obtained from sequencing the processes in the subcycles.

Method for innovative synthesis-design of chemical process flowsheets

DEFF Research Database (Denmark)

Kumar Tula, Anjan; Gani, Rafiqul

Chemical process synthesis-design involve the identification of the processing route to reach a desired product from a specified set of raw materials, design of the operations involved in the processing route, the calculations of utility requirements, the calculations of waste and emission...... to the surrounding and many more. Different methods (knowledge-based [1], mathematical programming [2], hybrid, etc.) have been proposed and are also currently employed to solve these synthesis-design problems. D’ Anterroches [3] proposed a group contribution based approach to solve the synthesis-design problem...... of chemical processes, where, chemical process flowsheets could be synthesized in the same way as atoms or groups of atoms are synthesized to form molecules in computer aided molecular design (CAMD) techniques [4]. That, from a library of building blocks (functional process-groups) and a set of rules to join...

EXPLORING THE DESIGN AND USE OF MOLECULAR ANIMATIONS THAT CONFLICT FOR UNDERSTANDING CHEMICAL REACTIONS

Directory of Open Access Journals (Sweden)

Resa M. Kelly

Full Text Available Understanding chemical reactions conceptually involves recognizing characteristics of observable phenomena and envisioning how atoms, ions and molecules move and interact to cause the macroscopic changes. Our research focuses on the development of effective strategies for designing and presenting visualizations (videos and animations to assist students with making connections between macroscopic and molecular level behaviors of chemical reactions. Specifically, we study how students, who view videos of a redox reaction that exhibits obvious signs of macroscopic chemical change, can determine which molecular animation of a set of contrasting animations is best supported by its fit with experimental evidence. Herein we describe how we develop our videos and animations, and how students are learning from this animation task. Students who select inaccurate animation models are often enticed by a model that is easier to explain and fits with their understanding of reaction equations. We note that even though students indicate a preference for one animation over another, they often revise their drawn representations to fit with features from multiple animations. With the assistance of eye tracking research, we are gaining a better understanding of what students view and how they make sense of it.

Extent of reaction in open systems with multiple heterogeneous reactions

Science.gov (United States)

Friedly, John C.

1991-01-01

The familiar batch concept of extent of reaction is reexamined for systems of reactions occurring in open systems. Because species concentrations change as a result of transport processes as well as reactions in open systems, the extent of reaction has been less useful in practice in these applications. It is shown that by defining the extent of the equivalent batch reaction and a second contribution to the extent of reaction due to the transport processes, it is possible to treat the description of the dynamics of flow through porous media accompanied by many chemical reactions in a uniform, concise manner. This approach tends to isolate the reaction terms among themselves and away from the model partial differential equations, thereby enabling treatment of large problems involving both equilibrium and kinetically controlled reactions. Implications on the number of coupled partial differential equations necessary to be solved and on numerical algorithms for solving such problems are discussed. Examples provided illustrate the theory applied to solute transport in groundwater flow.

Structural design considerations for a radwaste processing facility

International Nuclear Information System (INIS)

Foelber, S.C.; Sabbe, M.A.

1985-01-01

The structural engineer needs to consider several criteria when designing a radioactive-waste processing facility in order to properly balance the requirements of safety and economy. This paper addresses the design criteria and structural design of a vitrification building and the special equipment and supports associated with remote process operations. In addition, approaches to construction, and the role of scale models to aid in engineering design and construction are discussed. 5 figures

Using Drawing Technology to Assess Students' Visualizations of Chemical Reaction Processes

Science.gov (United States)

Chang, Hsin-Yi; Quintana, Chris; Krajcik, Joseph

2014-01-01

In this study, we investigated how students used a drawing tool to visualize their ideas of chemical reaction processes. We interviewed 30 students using thinking-aloud and retrospective methods and provided them with a drawing tool. We identified four types of connections the students made as they used the tool: drawing on existing knowledge,…

Using a Design Science Perspective to Understand a Complex Design-Based Research Process

DEFF Research Database (Denmark)

Bækgaard, Lars

2012-01-01

The purpose of the paper is to demonstrate how a design science perspective can be used to describe and understand a set of related design-based research processes. We describe and analyze a case study in a manner that is inspired by design science. The case study involves the design of modeling......-based research processes. And we argue that a design science perspective may be useful for both researchers and practitioners....... tools and the redesign of an information service in a library. We use a set of guidelines from a design science perspective to organize the description and analysis of the case study. By doing this we demonstrate the usefulness of design science as an analytical tool for understanding related design...

Reaction Mechanism and Distribution Behavior of Arsenic in the Bottom Blown Copper Smelting Process

Directory of Open Access Journals (Sweden)

Qinmeng Wang

2017-08-01

Full Text Available The control of arsenic, a toxic and carcinogenic element, is an important issue for all copper smelters. In this work, the reaction mechanism and distribution behavior of arsenic in the bottom blown copper smelting process (SKS process were investigated and compared to the flash smelting process. There are obvious differences of arsenic distribution in the SKS process and flash process, resulting from the differences of oxygen potentials, volatilizations, smelting temperatures, reaction intensities, and mass transfer processes. Under stable production conditions, the distributions of arsenic among matte, slag, and gas phases are 6%, 12%, and 82%, respectively. Less arsenic is reported in the gas phase with the flash process than with the SKS process. The main arsenic species in gas phase are AsS (g, AsO (g, and As2 (g. Arsenic exists in the slag predominantly as As2O3 (l, and in matte as As (l. High matte grade is harmful to the elimination of arsenic to gas. The changing of Fe/SiO2 has slight effects on the distributions of arsenic. In order to enhance the removal of arsenic from the SKS smelting system to the gas phase, low oxygen concentration, low ratios of oxygen/ore, and low matte grade should be chosen. In the SKS smelting process, no dust is recycled, and almost all dust is collected and further treated to eliminate arsenic and recover valuable metals by other process streams.

Pretreatment of whole blood using hydrogen peroxide and UV irradiation. Design of the advanced oxidation process.

Science.gov (United States)

Bragg, Stefanie A; Armstrong, Kristie C; Xue, Zi-Ling

2012-08-15

A new process to pretreat blood samples has been developed. This process combines the Advanced Oxidation Process (AOP) treatment (using H(2)O(2) and UV irradiation) with acid deactivation of the enzyme catalase in blood. A four-cell reactor has been designed and built in house. The effect of pH on the AOP process has been investigated. The kinetics of the pretreatment process shows that at high C(H(2)O(2),t=0), the reaction is zeroth order with respect to C(H(2)O(2)) and first order with respect to C(blood). The rate limiting process is photon flux from the UV lamp. Degradation of whole blood has been compared with that of pure hemoglobin samples. The AOP pretreatment of the blood samples has led to the subsequent determination of chromium and zinc concentrations in the samples using electrochemical methods. Copyright © 2012 Elsevier B.V. All rights reserved.

Sustainable Chemical Processes and Products. New Design Methodology and Design Tools

OpenAIRE

Korevaar, G.

2004-01-01

The current chemical industry is not sustainable, which leads to the fact that innovation of chemical processes and products is too often hazardous for society in general and the environment in particular. It really is a challenge to implement sustainability considerations in the design activities of chemical engineers. Therefore, the main question of this thesis is: how can a trained chemical engineer develop a conceptual design of a chemical process or a chemical product in such a way that ...

Defining process design space for monoclonal antibody cell culture.

Science.gov (United States)

Abu-Absi, Susan Fugett; Yang, LiYing; Thompson, Patrick; Jiang, Canping; Kandula, Sunitha; Schilling, Bernhard; Shukla, Abhinav A

2010-08-15

The concept of design space has been taking root as a foundation of in-process control strategies for biopharmaceutical manufacturing processes. During mapping of the process design space, the multidimensional combination of operational variables is studied to quantify the impact on process performance in terms of productivity and product quality. An efficient methodology to map the design space for a monoclonal antibody cell culture process is described. A failure modes and effects analysis (FMEA) was used as the basis for the process characterization exercise. This was followed by an integrated study of the inoculum stage of the process which includes progressive shake flask and seed bioreactor steps. The operating conditions for the seed bioreactor were studied in an integrated fashion with the production bioreactor using a two stage design of experiments (DOE) methodology to enable optimization of operating conditions. A two level Resolution IV design was followed by a central composite design (CCD). These experiments enabled identification of the edge of failure and classification of the operational parameters as non-key, key or critical. In addition, the models generated from the data provide further insight into balancing productivity of the cell culture process with product quality considerations. Finally, process and product-related impurity clearance was evaluated by studies linking the upstream process with downstream purification. Production bioreactor parameters that directly influence antibody charge variants and glycosylation in CHO systems were identified.

THORP - the management of the design process

International Nuclear Information System (INIS)

Thorpe, E.; Thurrell, B.H.; Varey, L.S.

1991-01-01

This Paper sets out to describe the organization of the design of the Thermal Oxide Reprocessing Plant (THORP) head end and chemical separation building. This posed many challenges not only because the building itself is a complicated engineering entity, but also because of the logistical aspects of administering the large number of engineers and draughtsmen -600 in total at peak- employed on the project. The effects of the necessary iterative design process, both technical and logistical, are outlined, together with a description of the manner in which the whole design process was managed. (author)

Mechanistic models for the evaluation of biocatalytic reaction conditions and biosensor design optimization

DEFF Research Database (Denmark)

Semenova, Daria

. In the first case study a mechanistic model was developed to describe the enzymatic reaction of glucose oxidase and glucose in the presence of catalase inside a commercial microfluidic platform with integrated oxygen sensor spots. The simplicity of the proposed model allowed an easy calibration of the reaction...... the microfluidic device. In the second case study the flexible microfluidic platform with integrated amperometric glucose biosensors was developed for continuous monitoring of glucose consumption rates. The integration of the mixing chamber inside the platform allowed performing sample dilutions which subsequently......BRs. In the third case study the mechanistic model of the cyclic voltammetry response of the first generation glucose biosensors was developed and applied for the biosensor design optimization. Furthermore the obtained qualitative and quantitative dependencies between the model output and experimental results were...

Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I

Energy Technology Data Exchange (ETDEWEB)

Shi, Yuqian; Hellinga, Homme W.; Beese, Lorena S. (Duke-MED)

2017-05-22

Human exonuclease 1 (hExo1) is a member of the RAD2/XPG structure-specific 5'-nuclease superfamily. Its dominant, processive 5'–3' exonuclease and secondary 5'-flap endonuclease activities participate in various DNA repair, recombination, and replication processes. A single active site processes both recessed ends and 5'-flap substrates. By initiating enzyme reactions in crystals, we have trapped hExo1 reaction intermediates that reveal structures of these substrates before and after their exo- and endonucleolytic cleavage, as well as structures of uncleaved, unthreaded, and partially threaded 5' flaps. Their distinctive 5' ends are accommodated by a small, mobile arch in the active site that binds recessed ends at its base and threads 5' flaps through a narrow aperture within its interior. A sequence of successive, interlocking conformational changes guides the two substrate types into a shared reaction mechanism that catalyzes their cleavage by an elaborated variant of the two-metal, in-line hydrolysis mechanism. Coupling of substrate-dependent arch motions to transition-state stabilization suppresses inappropriate or premature cleavage, enhancing processing fidelity. The striking reduction in flap conformational entropy is catalyzed, in part, by arch motions and transient binding interactions between the flap and unprocessed DNA strand. At the end of the observed reaction sequence, hExo1 resets without relinquishing DNA binding, suggesting a structural basis for its processivity.

NMR studies of stock process water and reaction pathways in hydrothermal carbonization of furfural residue

Directory of Open Access Journals (Sweden)

Fen Yue

2018-04-01

Full Text Available Hydrothermal carbonization (HTC is a valuable approach to convert furfural residue (FR into carbon material. The prepared biochars are usually characterized comprehensively, while the stock process water still remains to be studied in detail. Herein, a NMR study of the main components in stock process water generated at different HTC reaction conditions was reported. Various qualitative and quantitative NMR techniques (1H and 13C NMR, 1H–1H COSY and 1H13C HSQC etc. especially 1D selective gradient total correlation spectroscopy (TOCSY NMR were strategically applied in the analysis of HTC stock process water. Without separation and purification, it was demonstrated that the main detectable compounds are 5-hydroxymethylfurfural, formic acid, methanol, acetic acid, levulinic acid, glycerol, hydroxyacetone and acetaldehyde in this complicate mixture. Furthermore, the relationship between the concentration of major products and the reaction conditions (180–240 °C at 8 h, and 1–24 h at 240 °C was established. Finally, reasonable reaction pathways for hydrothermal conversion of FR were proposed based on this result and our previously obtained characteristics of biochars. The routine and challenging NMR methods utilized here would be an alternative other than HPLC or GC for biomass conversion research and can be extended to more studies. Keywords: NMR, Hydrothermal carbonization, Furfural residue, Stock process water

Lignocellulosic Biomass to Ethanol Process Design and Economics Utilizing Co-Current Dilute Acid Prehydrolysis and Enzymatic Hydrolysis Current and Futuristic Scenarios

Energy Technology Data Exchange (ETDEWEB)

Wooley, R.; Ruth, M.; Sheehan, J.; Ibsen, K.; Majdeski, H.; Galvez, A.

1999-07-20

The National Renewable Energy Laboratory (NREL) has undertaken a complete review and update of the process design and economic model for the biomass-to-ethanol enzymatic based process. The process design includes the core technologies being researched by the U.S. Department of Energy (DOE): prehydrolysis, simultaneous saccharification and co-fermentation, and cellulase enzyme production. In addition, all ancillary areas--feed handling, product recovery and purification, wastewater treatment lignin burner and boiler--turbogenerator, and utilities--are included. NREL engaged Delta-T Corporation to assist in the process design evaluation, equipment costing, and overall plant integration. The process design and costing for the lignin burner and boiler turbogenerator has been reviewed by Reaction Engineering Inc. and the wastewater treatment by Merrick and Company. An overview of both reviews is included here. The purpose of this update was to ensure that the process design and equipment costs were reasonable and consistent with good engineering practice for plants of this type using available technical data. This work has resulted in an economic model that can be used to predict the cost of producing ethanol from cellulosic biomass using this technology if a plant were to be built in the next few years. The model was also extended using technology improvements that are expected to be developed based on the current DOE research plan. Future process designs and cost estimates are given for the years 2005, 2010, and 2015.

[Application of quality by design in granulation process for Ginkgo leaf tablet (Ⅲ)： process control strategy based on design space].

Science.gov (United States)

Cui, Xiang-Long; Xu, Bing; Sun, Fei; Dai, Sheng-Yun; Shi, Xin-Yuan; Qiao, Yan-Jiang

2017-03-01

In this paper, under the guidance of quality by design (QbD) concept, the control strategy of the high shear wet granulation process of the ginkgo leaf tablet based on the design space was established to improve the process controllability and product quality consistency. The median granule size (D50) and bulk density (Da) of granules were identified as critical quality attributes (CQAs) and potential critical process parameters (pCPPs) were determined by the failure modes and effect analysis (FMEA). The Plackeet-Burmann experimental design was used to screen pCPPs and the results demonstrated that the binder amount, the wet massing time and the wet mixing impeller speed were critical process parameters (CPPs). The design space of the high shear wet granulation process was developed within pCPPs range based on the Box-Behnken design and quadratic polynomial regression models. ANOVA analysis showed that the P-values of model were less than 0.05 and the values of lack of fit test were more than 0.1, indicating that the relationship between CQAs and CPPs could be well described by the mathematical models. D₅₀ could be controlled within 170 to 500 μm, and the bulk density could be controlled within 0.30 to 0.44 g•cm⁻³ by using any CPPs combination within the scope of design space. Besides, granules produced by process parameters within the design space region could also meet the requirement of tensile strength of the ginkgo leaf tablet.. Copyright© by the Chinese Pharmaceutical Association.

Integrated Process Design and Control of Reactive Distillation Processes

DEFF Research Database (Denmark)

Mansouri, Seyed Soheil; Sales-Cruz, Mauricio; Huusom, Jakob Kjøbsted

2015-01-01

on the element concept, which is used to translate a system of compounds into elements. The operation of the reactive distillation column at the highest driving force and other candidate points is analyzed through analytical solution as well as rigorous open-loop and closed-loop simulations. By application...... of this approach, it is shown that designing the reactive distillation process at the maximum driving force results in an optimal design in terms of controllability and operability. It is verified that the reactive distillation design option is less sensitive to the disturbances in the feed at the highest driving...

A Design Support Framework through Dynamic Deployment of Hypothesis and Verification in the Design Process

Science.gov (United States)

Nomaguch, Yutaka; Fujita, Kikuo

This paper proposes a design support framework, named DRIFT (Design Rationale Integration Framework of Three layers), which dynamically captures and manages hypothesis and verification in the design process. A core of DRIFT is a three-layered design process model of action, model operation and argumentation. This model integrates various design support tools and captures design operations performed on them. Action level captures the sequence of design operations. Model operation level captures the transition of design states, which records a design snapshot over design tools. Argumentation level captures the process of setting problems and alternatives. The linkage of three levels enables to automatically and efficiently capture and manage iterative hypothesis and verification processes through design operations over design tools. In DRIFT, such a linkage is extracted through the templates of design operations, which are extracted from the patterns embeded in design tools such as Design-For-X (DFX) approaches, and design tools are integrated through ontology-based representation of design concepts. An argumentation model, gIBIS (graphical Issue-Based Information System), is used for representing dependencies among problems and alternatives. A mechanism of TMS (Truth Maintenance System) is used for managing multiple hypothetical design stages. This paper also demonstrates a prototype implementation of DRIFT and its application to a simple design problem. Further, it is concluded with discussion of some future issues.

Designing a Process for Tracking Business Model Change

DEFF Research Database (Denmark)

Groskovs, Sergejs

The paper has adopted a design science research approach to design and verify with key stakeholders a fundamental management process of revising KPIs (key performance indicators), including those indicators that are related to business model change. The paper proposes a general guide for such pro......The paper has adopted a design science research approach to design and verify with key stakeholders a fundamental management process of revising KPIs (key performance indicators), including those indicators that are related to business model change. The paper proposes a general guide...... for such process design, which is applicable in similar settings, i.e. other multi-subsidiary global firms operating in dynamic industries. The management of the focal case uses a set of KPIs to track performance and thus to allow for bringing about strategic and tactical changes, including the initiatives...... by establishing new KPIs on an ongoing basis together with the business units on the ground, and is thus of key importance to strategic management of the firm. The paper concludes with a discussion of its methodological compliance to design science research guidelines and revisits the literature in process...

Group Contribution Based Process Flowsheet Synthesis, Design and Modelling

DEFF Research Database (Denmark)

d'Anterroches, Loïc; Gani, Rafiqul

2004-01-01

This paper presents a process-group-contribution Method to model. simulate and synthesize a flowsheet. The process-group based representation of a flowsheet together with a process "property" model are presented. The process-group based synthesis method is developed on the basis of the computer...... aided molecular design methods and gives the ability to screen numerous process alternatives without the need to use the rigorous process simulation models. The process "property" model calculates the design targets for the generated flowsheet alternatives while a reverse modelling method (also...... developed) determines the design variables matching the target. A simple illustrative example highlighting the main features of the methodology is also presented....

Design of Hybrid Steam-In Situ Combustion Bitumen Recovery Processes

International Nuclear Information System (INIS)

Yang Xiaomeng; Gates, Ian D.

2009-01-01

Given enormous capital costs, operating expenses, flue gas emissions, water treatment and handling costs of thermal in situ bitumen recovery processes, improving the overall efficiency by lowering energy requirements, environmental impact, and costs of these production techniques is a priority. Steam-assisted gravity drainage (SAGD) is the most widely used in situ recovery technique in Athabasca reservoirs. Steam generation is done on surface and consequently, because of heat losses, the energy efficiency of SAGD can never be ideal with respect to the energy delivered to the sandface. An alternative to surface steam generation is in situ combustion (ISC) where heat is generated within the formation through injection of oxygen at a sufficiently high pressure to initiate combustion of bitumen. In this manner, the heat from the combustion reactions can be used directly to mobilize the bitumen. As an alternative, the heat can be used to generate steam within the formation which then is the agent to move heat in the reservoir. In this research, alternative hybrid techniques with simultaneous and sequential steam-oxygen injection processes are examined to maximize the thermal efficiency of the recovery process. These hybrid processes have the advantage that during ISC, steam is generated within the reservoir from injected and formation water and as a product of oxidation. This implies that ex situ steam generation requirements are reduced and if there is in situ storage of combustion gases, that overall gas emissions are reduced. In this research, detailed reservoir simulations are done to examine the dynamics of hybrid processes to enable design of these processes. The results reveal that hybrid processes can lower emitted carbon dioxide-to-oil ratio by about 46%, decrease the consumed natural gas-to-oil ratio by about 73%, reduce the cumulative energy-to-oil ratio by between 40% and 70% compared to conventional SAGD, and drop water consumption per unit oil produced

Recent developments in biocatalysis in multiphasic ionic liquid reaction systems.

Science.gov (United States)

Meyer, Lars-Erik; von Langermann, Jan; Kragl, Udo

2018-06-01

Ionic liquids are well known and frequently used 'designer solvents' for biocatalytic reactions. This review highlights recent achievements in the field of multiphasic ionic liquid-based reaction concepts. It covers classical biphasic systems including supported ionic liquid phases, thermo-regulated multi-component solvent systems (TMS) and polymerized ionic liquids. These powerful concepts combine unique reaction conditions with a high potential for future applications on a laboratory and industrial scale. The presence of a multiphasic system simplifies downstream processing due to the distribution of the catalyst and reactants in different phases.

Benzene destruction in claus process by sulfur dioxide: A reaction kinetics study

KAUST Repository

Sinha, Sourab

2014-07-02

Benzene, toluene and xylene (BTX) are present as contaminants in the H 2S gas stream entering a Claus furnace. The exhaust gases from the furnace enter catalytic units, where BTX form soot particles. These particles clog and deactivate the catalysts. A solution to this problem is BTX oxidation before the gases enter catalyst beds. This work presents a theoretical investigation on benzene oxidation by SO2. Density functional theory is used to develop a detailed mechanism for phenyl radical -SO2 interactions. The mechanism begins with SO2 addition to phenyl radical after overcoming an energy barrier of 6.4 kJ/mol. This addition reaction is highly exothermic, where a reaction energy of 182 kJ/mol is released. The most favorable pathway involves O-S bond breakage, leading to the release of SO. A remarkable similarity between the pathways for phenyl radical oxidation by O2 and its oxidation by SO2 is observed. The reaction rate constants are also evaluated to facilitate process simulations. © 2014 American Chemical Society.

Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Processes

Energy Technology Data Exchange (ETDEWEB)

Yorstos, Yannis C.

2003-03-19

The report describes progress made in the various thrust areas of the project, which include internal drives for oil recovery, vapor-liquid flows, combustion and reaction processes and the flow of fluids with yield stress.

An efficient synthesis of isocoumarins via a CuI catalyzed cascade reaction process

Institute of Scientific and Technical Information of China (English)

无

2009-01-01

3-Alkyl isocoumarins are provided by CuI/amino acid-catalyzed Sonogashira coupling reaction of o-bromo benzoic acids and terminal alkynes and the subsequent additive cyclization. This cascade process allows synthesis of diverse isocoumarins by varying both coupling partners bearing a wide range of functional groups.

MbT-Tool: An open-access tool based on Thermodynamic Electron Equivalents Model to obtain microbial-metabolic reactions to be used in biotechnological process.

Science.gov (United States)

Araujo, Pablo Granda; Gras, Anna; Ginovart, Marta

2016-01-01

Modelling cellular metabolism is a strategic factor in investigating microbial behaviour and interactions, especially for bio-technological processes. A key factor for modelling microbial activity is the calculation of nutrient amounts and products generated as a result of the microbial metabolism. Representing metabolic pathways through balanced reactions is a complex and time-consuming task for biologists, ecologists, modellers and engineers. A new computational tool to represent microbial pathways through microbial metabolic reactions (MMRs) using the approach of the Thermodynamic Electron Equivalents Model has been designed and implemented in the open-access framework NetLogo. This computational tool, called MbT-Tool (Metabolism based on Thermodynamics) can write MMRs for different microbial functional groups, such as aerobic heterotrophs, nitrifiers, denitrifiers, methanogens, sulphate reducers, sulphide oxidizers and fermenters. The MbT-Tool's code contains eighteen organic and twenty inorganic reduction-half-reactions, four N-sources (NH4 (+), NO3 (-), NO2 (-), N2) to biomass synthesis and twenty-four microbial empirical formulas, one of which can be determined by the user (CnHaObNc). MbT-Tool is an open-source program capable of writing MMRs based on thermodynamic concepts, which are applicable in a wide range of academic research interested in designing, optimizing and modelling microbial activity without any extensive chemical, microbiological and programing experience.

Manufacturing process design for multi commodities in agriculture

Science.gov (United States)

Prasetyawan, Yudha; Santosa, Andrian Henry

2017-06-01

High-potential commodities within particular agricultural sectors should be accompanied by maximum benefit value that can be attained by both local farmers and business players. In several cases, the business players are small-medium enterprises (SMEs) which have limited resources to perform added value process of the local commodities into the potential products. The weaknesses of SMEs such as the manual production process with low productivity, limited capacity to maintain prices, and unattractive packaging due to conventional production. Agricultural commodity is commonly created into several products such as flour, chips, crackers, oil, juice, and other products. This research was initiated by collecting data by interview method particularly to obtain the perspectives of SMEs as the business players. Subsequently, the information was processed based on the Quality Function Deployment (QFD) to determine House of Quality from the first to fourth level. A proposed design as the result of QFD was produced and evaluated with Technology Assessment Model (TAM) and continued with a revised design. Finally, the revised design was analyzed with financial perspective to obtain the cost structure of investment, operational, maintenance, and workers. The machine that performs manufacturing process, as the result of revised design, was prototyped and tested to determined initial production process. The designed manufacturing process offers IDR 337,897, 651 of Net Present Value (NPV) in comparison with the existing process value of IDR 9,491,522 based on similar production input.

Interactions between magnetite and humic substances: redox reactions and dissolution processes.

Science.gov (United States)

Sundman, Anneli; Byrne, James M; Bauer, Iris; Menguy, Nicolas; Kappler, Andreas

2017-10-19

Humic substances (HS) are redox-active compounds that are ubiquitous in the environment and can serve as electron shuttles during microbial Fe(III) reduction thus reducing a variety of Fe(III) minerals. However, not much is known about redox reactions between HS and the mixed-valent mineral magnetite (Fe 3 O 4 ) that can potentially lead to changes in Fe(II)/Fe(III) stoichiometry and even dissolve the magnetite. To address this knowledge gap, we incubated non-reduced (native) and reduced HS with four types of magnetite that varied in particle size and solid-phase Fe(II)/Fe(III) stoichiometry. We followed dissolved and solid-phase Fe(II) and Fe(III) concentrations over time to quantify redox reactions between HS and magnetite. Magnetite redox reactions and dissolution processes with HS varied depending on the initial magnetite and HS properties. The interaction between biogenic magnetite and reduced HS resulted in dissolution of the solid magnetite mineral, as well as an overall reduction of the magnetite. In contrast, a slight oxidation and no dissolution was observed when native and reduced HS interacted with 500 nm magnetite. This variability in the solubility and electron accepting and donating capacity of the different types of magnetite is likely an effect of differences in their reduction potential that is correlated to the magnetite Fe(II)/Fe(III) stoichiometry, particle size, and crystallinity. Our study suggests that redox-active HS play an important role for Fe redox speciation within minerals such as magnetite and thereby influence the reactivity of these Fe minerals and their role in biogeochemical Fe cycling. Furthermore, such processes are also likely to have an effect on the fate of other elements bound to the surface of Fe minerals.

Reactor and process design in sustainable energy technology

CERN Document Server

Shi, Fan

2014-01-01

Reactor Process Design in Sustainable Energy Technology compiles and explains current developments in reactor and process design in sustainable energy technologies, including optimization and scale-up methodologies and numerical methods. Sustainable energy technologies that require more efficient means of converting and utilizing energy can help provide for burgeoning global energy demand while reducing anthropogenic carbon dioxide emissions associated with energy production. The book, contributed by an international team of academic and industry experts in the field, brings numerous reactor design cases to readers based on their valuable experience from lab R&D scale to industry levels. It is the first to emphasize reactor engineering in sustainable energy technology discussing design. It provides comprehensive tools and information to help engineers and energy professionals learn, design, and specify chemical reactors and processes confidently. Emphasis on reactor engineering in sustainable energy techn...

Property Modelling and Databases in Product-Process Design

DEFF Research Database (Denmark)

Gani, Rafiqul; Sansonetti, Sascha

of the PC-SAFT is used. The developed database and property prediction models have been combined into a properties-software that allows different product-process design related applications. The presentation will also briefly highlight applications of the software for virtual product-process design...

Induction Heating Process Design Using COMSOL Multiphysics Software

Directory of Open Access Journals (Sweden)

Andy Triwinarko

2011-08-01

Full Text Available Induction heating is clean environmental heating process due to a non-contact heating process. There is lots of the induction heating type that be used in the home appliance but it is still new technology in Indonesia. The main interesting area of the induction heating design is the efficiency of the usage of energy and choice of the plate material. COMSOL Multiphysics Software can be used to simulate and estimate the induction heating process. Therefore, the software can be used to design the induction heating process that will have a optimum efficiency. The properties of the induction heating design were also simulated and analyzed such as effect of inductors width, inductors distance, and conductive plate material. The result was shown that the good design of induction heating must have a short width and distance inductor and used silicon carbide as material plate with high frequency controller.

Advanced information processing system: The Army Fault-Tolerant Architecture detailed design overview

Science.gov (United States)

Harper, Richard E.; Babikyan, Carol A.; Butler, Bryan P.; Clasen, Robert J.; Harris, Chris H.; Lala, Jaynarayan H.; Masotto, Thomas K.; Nagle, Gail A.; Prizant, Mark J.; Treadwell, Steven

1994-01-01

The Army Avionics Research and Development Activity (AVRADA) is pursuing programs that would enable effective and efficient management of large amounts of situational data that occurs during tactical rotorcraft missions. The Computer Aided Low Altitude Night Helicopter Flight Program has identified automated Terrain Following/Terrain Avoidance, Nap of the Earth (TF/TA, NOE) operation as key enabling technology for advanced tactical rotorcraft to enhance mission survivability and mission effectiveness. The processing of critical information at low altitudes with short reaction times is life-critical and mission-critical necessitating an ultra-reliable/high throughput computing platform for dependable service for flight control, fusion of sensor data, route planning, near-field/far-field navigation, and obstacle avoidance operations. To address these needs the Army Fault Tolerant Architecture (AFTA) is being designed and developed. This computer system is based upon the Fault Tolerant Parallel Processor (FTPP) developed by Charles Stark Draper Labs (CSDL). AFTA is hard real-time, Byzantine, fault-tolerant parallel processor which is programmed in the ADA language. This document describes the results of the Detailed Design (Phase 2 and 3 of a 3-year project) of the AFTA development. This document contains detailed descriptions of the program objectives, the TF/TA NOE application requirements, architecture, hardware design, operating systems design, systems performance measurements and analytical models.

Design, Testing and Kinetic Analysis of Bulky Monodentate Phosphorus Ligands in the Mizoroki-Heck Reaction

NARCIS (Netherlands)

Dodds, Deborah L.; Boele, Maarten D. K.; van Strijdonck, Gino P. F.; de Vries, Johannes G.; van Leeuwen, Piet W. N. M.; Kamer, Paul C. J.

A series of new monodentate phosphane ligands 2 have been evaluated in the MizorokiHeck arylation reaction of iodobenzene and styrene and compared with our previously reported ligands, 1, 3 and 4. The concept of rational ligand design is discussed, and we describe how the performance of this new

Quality-by-Design (QbD): An integrated process analytical technology (PAT) approach for a dynamic pharmaceutical co-precipitation process characterization and process design space development.

Science.gov (United States)

Wu, Huiquan; White, Maury; Khan, Mansoor A

2011-02-28

The aim of this work was to develop an integrated process analytical technology (PAT) approach for a dynamic pharmaceutical co-precipitation process characterization and design space development. A dynamic co-precipitation process by gradually introducing water to the ternary system of naproxen-Eudragit L100-alcohol was monitored at real-time in situ via Lasentec FBRM and PVM. 3D map of count-time-chord length revealed three distinguishable process stages: incubation, transition, and steady-state. The effects of high risk process variables (slurry temperature, stirring rate, and water addition rate) on both derived co-precipitation process rates and final chord-length-distribution were evaluated systematically using a 3(3) full factorial design. Critical process variables were identified via ANOVA for both transition and steady state. General linear models (GLM) were then used for parameter estimation for each critical variable. Clear trends about effects of each critical variable during transition and steady state were found by GLM and were interpreted using fundamental process principles and Nyvlt's transfer model. Neural network models were able to link process variables with response variables at transition and steady state with R(2) of 0.88-0.98. PVM images evidenced nucleation and crystal growth. Contour plots illustrated design space via critical process variables' ranges. It demonstrated the utility of integrated PAT approach for QbD development. Published by Elsevier B.V.

Property Based Process and Product Synthesis and Design

DEFF Research Database (Denmark)

Eden, Mario Richard

2003-01-01

in terms of the constitutive (synthesis/design) variables instead of the process variables, thus providing the synthesis/design targets. The second reverse problem (reverse property prediction) solves the constitutive equations to identify unit operations, operating conditions and/or products by matching......This thesis describes the development of a general framework for solving process and product design problems. Targeting the desired performance of the system in a systematic manner relieves the iterative nature of conventional design techniques. Furthermore, conventional component based methods...... are not capable of handling problems, where the process or product objectives are driven by functionalities or properties rather than chemical constituency. The framework is meant to complement existing composition based methods by being able to handle property driven problems. By investigating the different...

Importance of $1n$-stripping process in the $^{6}$Li+$^{159}$Tb reaction

OpenAIRE

Pradhan, M. K.; Mukherjee, A.; Roy, Subinit; Basu, P.; Goswami, A.; Kshetri, R.; Palit, R.; Parkar, V. V.; Ray, M.; Sarkar, M. Saha; Santra, S.

2013-01-01

The inclusive cross sections of the $\\alpha$-particles produced in the reaction $^{6}$Li+$^{159}$Tb have been measured at energies around the Coulomb barrier. The measured cross sections are found to be orders of magnitude larger than the calculated cross sections of $^{6}$Li breaking into $\\alpha$ and $d$ fragments, thus indicating contributions from other processes. The experimental cross sections of $1n$-stripping and $1n$-pickup processes have been determined from an entirely different me...

High energy nuclear reactions ('Spallation') and their application in calculation of the Acceleration Driven Systems (ADS)

International Nuclear Information System (INIS)

Rossi, Pedro Carlos Russo

2011-01-01

This work presents a study of high energy nuclear reactions which are fundamental to dene the source term in accelerator driven systems. These nuclear reactions, also known as spallation, consist in the interaction of high energetic hadrons with nucleons in the atomic nucleus. The phenomenology of these reactions consist in two step. In the rst, the proton interacts through multiple scattering in a process called intra-nuclear cascade. It is followed by a step in which the excited nucleus, coming from the intranuclear cascade, could either, evaporates particles to achieve a moderate energy state or fission. This process is known as competition between evaporation and fission. In this work the main nuclear models, Bertini and Cugnon are reviewed, since these models are fundamental for design purposes of the source term in ADS, due to lack of evaluated nuclear data for these reactions. The implementation and validation of the calculation methods for the design of the source is carried out to implement the methodology of source design using the program MCNPX (Monte Carlo N-Particle eXtended), devoted to calculation of transport of these particles and the validation performed by an international cooperation together with a Coordinated Research Project (CRP) of the International Atomic Energy Agency and available jobs, in order to qualify the calculations on nuclear reactions and the de-excitation channels involved, providing a state of the art of design and methodology for calculating external sources of spallation for source driven systems. The CRISP, is a brazilian code for the phenomenological description of the reactions involved and the models implemented in the code were reviewed and improved to continue the qualification process. Due to failure of the main models in describing the production of light nuclides, the multifragmentation reaction model was studied. Because the discrepancies in the calculations of production of these nuclides are attributes to the

Characterization of ESIPT reactions with instant spectra of fluorescence and complexation processes

International Nuclear Information System (INIS)

Tomin, Vladimir I.; Ushakou, Dzmitryi V.

2016-01-01

Proton transfer processes and especially excited-state intramolecular proton transfer (ESIPT) are of interest not only in physical studies but in a wide range of biological and chemical researches, since they play an important role in different fundamental reactions. Moreover, occurrence of ESIPT very often causes two-bands emission spectra corresponding to the normal and photoproduct (tautomer) forms of molecular structure. It allows carrying out unique measurement of microcharacteristics in chemical and biological researches by using substances with ESIPT as molecular probes, because its dual emission is very sensitive to parameters of microenvironment. Dual fluorescence signal is very convenient for two wavelength ratiometric measurements as they are more sensitive to variations of sample characteristics. Recently new approach for revealing type of excited state reaction which is based on analysis of dynamic changes of relative intensities in instant spectra of fluorescence ESIPT solutes was suggested and tested for neat solutions. Now we generalize this method on solutions in which ESIPT solute may participate also in creating fluorescent complexes. We demonstrate that relative intensities of instant spectra of fluorescence registered with high time resolution allow to get valuable information referring to type of excited state reaction in which dye may undergo complexation reactions with ions in solvent. In addition we show how it is possible in such case to determine characteristics of complexation as, for example, stability constant and efficiency of complexation.

Study on Product Innovative Design Process Driven by Ideal Solution

Science.gov (United States)

Zhang, Fuying; Lu, Ximei; Wang, Ping; Liu, Hui

Product innovative design in companies today relies heavily on individual members’ experience and creative ideation as well as their skills of integrating creativity and innovation tools with design methods agilely. Creative ideation and inventive ideas generation are two crucial stages in product innovative design process. Ideal solution is the desire final ideas for given problem, and the striving reaching target for product design. In this paper, a product innovative design process driven by ideal solution is proposed. This design process encourages designers to overcome their psychological inertia, to foster creativity in a systematic way for acquiring breakthrough creative and innovative solutions in a reducing sphere of solution-seeking, and results in effective product innovative design rapidly. A case study example is also presented to illustrate the effectiveness of the proposed design process.

Accessibility through user-centred and Inclusive Design processes

DEFF Research Database (Denmark)

Herriott, Richard

2014-01-01

This PhD dissertation addresses the subject of accessibility through user-centred and Inclusive Design processes (ID). The project takes as its starting point the observation that the concept of Inclusive Design is not adequately delimited. The supporting literature in the field of ID is structured...... around the fact that the needs of individuals with reduced capabilities compared to the norm (referred to for convenience as "the elderly and disabled") have not been properly addressed by standard design processes. In response to this fact, ID is a proposed design method to find more effective means...

Uniform lateral etching of tungsten in deep trenches utilizing reaction-limited NF3 plasma process

Science.gov (United States)

Kofuji, Naoyuki; Mori, Masahito; Nishida, Toshiaki

2017-06-01

The reaction-limited etching of tungsten (W) with NF3 plasma was performed in an attempt to achieve the uniform lateral etching of W in a deep trench, a capability required by manufacturing processes for three-dimensional NAND flash memory. Reaction-limited etching was found to be possible at high pressures without ion irradiation. An almost constant etching rate that showed no dependence on NF3 pressure was obtained. The effect of varying the wafer temperature was also examined. A higher wafer temperature reduced the threshold pressure for reaction-limited etching and also increased the etching rate in the reaction-limited region. Therefore, the control of the wafer temperature is crucial to controlling the etching amount by this method. We found that the uniform lateral etching of W was possible even in a deep trench where the F radical concentration was low.

The fusion-fission process in the reaction {sup 34}S+{sup 186}W near the interaction barrier

Energy Technology Data Exchange (ETDEWEB)

Harca, I. M. [Flerov Laboratory of Nuclear Reactions, Joint Institute for Nuclear Research, (FLNR JINR) Dubna, Russia and Faculty of Physics, University of Bucharest - P.O. Box MG 11, RO 77125, Bucharest-Magurele (Romania); Dmitriev, S.; Itkis, J.; Kozulin, E. M.; Knyazheva, G.; Loktev, T.; Novikov, K. [Flerov Laboratory of Nuclear Reactions, Joint Institute for Nuclear Research, (FLNR JINR) Dubna (Russian Federation); Azaiez, F.; Gottardo, A.; Matea, I.; Verney, D. [IPN, CNRS/IN2P3, Univ. Paris-Sud, 91405 Orsay (France); Chubarian, G. [Cyclotron Institute, Texas A and M University, College Station, TX 77843-3366 (United States); Hanappe, F. [Universite Libre de Bruxelles (ULB), Bruxelles (Belgium); Piot, J.; Schmitt, C. [GANIL, CEA/DSM-CNRS/IN2P3, Bd Henri Becquerel, BP 55027, F-14076 Caen Cedex 5 (France); Trzaska, W. H. [Accelerator Laboratory of University of Jyväskylä (JYFL), Jyväskylä (Finland); Vardaci, E. [Dipartamento di Scienze Fisiche and INFN (INFN-Na), Napoli (Italy)

2015-02-24

The reaction {sup 34}S+{sup 186}W at E{sub lab}=160 MeV was investigated with the aim of diving into the features of the fusion-fission process. Gamma rays in coincidence with binary reaction fragments were measured using the high efficiency gamma-ray spectrometer ORGAM at the TANDEM Accelerator facility of I.P.N., Orsay, and the time-of-flight spectrometer for fission fragments (FF) registration CORSET of the Flerov Laboratory of Nuclear Reactions (FLNR), Dubna. The coupling of the ORGAM and CORSET setups offers the unique opportunity of extracting details for characterizing the fusion-fission process and gives information regarding production of neutron-rich heavy nuclei. The FF–γ coincidence method is of better use then the γ – γ coincidence method when dealing with low statistic measurements and also offers the opportunity to precisely correct the Dopler shift for in-flight emitted gamma rays. Evidence of symmetric and asymmetric fission modes were observed in the mass and TKE distributions, occurring due to shell effects in the fragments. Coincident measurements allow for discrimination between the gamma rays by accepting a specific range within the mass distribution of the reaction products. Details regarding the experimental setup, methods of processing the acquisitioned data and preliminary results are presented.

Understanding the electron-stimulated surface reactions of organometallic complexes to enable design of precursors for electron beam-induced deposition

Energy Technology Data Exchange (ETDEWEB)

Spencer, Julie A.; Rosenberg, Samantha G.; Barclay, Michael; Fairbrother, D. Howard [Johns Hopkins University, Department of Chemistry, Baltimore, MD (United States); Wu, Yung-Chien; McElwee-White, Lisa [University of Florida, Department of Chemistry, Gainesville, FL (United States)

2014-12-15

Standard practice in electron beam-induced deposition (EBID) is to use precursors designed for thermal processes, such as chemical vapor deposition (CVD). However, organometallic precursors that yield pure metal deposits in CVD often create EBID deposits with high levels of organic contamination. This contamination negatively impacts the deposit's properties (e.g., by increasing resistivity or decreasing catalytic activity) and severely limits the range of potential applications for metal-containing EBID nanostructures. To provide the information needed for the rational design of precursors specifically for EBID, we have employed an ultra-high vacuum (UHV) surface science approach to identify the elementary reactions of organometallic precursors during EBID. These UHV studies have demonstrated that the initial electron-induced deposition of the surface-bound organometallic precursors proceeds through desorption of one or more of the ligands present in the parent compound. In specific cases, this deposition step has been shown to proceed via dissociative electron attachment, involving low-energy secondary electrons generated by the interaction of the primary beam with the substrate. Electron beam processing of the surface-bound species produced in the initial deposition event usually causes decomposition of the residual ligands, creating nonvolatile fragments. This process is believed to be responsible for a significant fraction of the organic contaminants typically observed in EBID nanostructures. A few ligands (e.g., halogens) can, however, desorb during electron beam processing while other ligands (e.g., PF{sub 3}, CO) can thermally desorb if elevated substrate temperatures are used during deposition. Using these general guidelines for reactivity, we propose some design strategies for EBID precursors. The ultimate goal is to minimize organic contamination and thus overcome the key bottleneck for fabrication of relatively pure EBID nanostructures. (orig.)

Integration of MGDS design into the licensing process

International Nuclear Information System (INIS)

1997-12-01

This paper presents an overview of how the Mined Geologic Disposal System (MGDS) design for a potential repository is integrated into the licensing process. The integration process employs a two-told approach: (1) ensure that the MGDS design complies with applicable Nuclear Regulatory Commission (NRC) licensing requirements, and (2) ensure that the MGDS design is appropriately reflected in a license application that is acceptable to the NRC for performing acceptance and compliance reviews

Information Architecture without Internal Theory: An Inductive Design Process.

Science.gov (United States)

Haverty, Marsha

2002-01-01

Suggests that information architecture design is primarily an inductive process, partly because it lacks internal theory and partly because it is an activity that supports emergent phenomena (user experiences) from basic design components. Suggests a resemblance to Constructive Induction, a design process that locates the best representational…

Green Diesel from Hydrotreated Vegetable Oil Process Design Study

NARCIS (Netherlands)

Hilbers, T.J.; Sprakel, Lisette Maria Johanna; van den Enk, L.B.J.; Zaalberg, B.; van den Berg, Henderikus; van der Ham, Aloysius G.J.

2015-01-01

A systematic approach was applied to study the process of hydrotreating vegetable oils. During the three phases of conceptual, detailed, and final design, unit operations were designed and sized. Modeling of the process was performed with UniSim Design®. Producing green diesel and jet fuel from

Coupled Diffusion and Reaction Processes in Rock Matrices: Impact on Dilute Groundwater Plumes

Science.gov (United States)

2015-12-28

35    3.6.3-Diffusion-Reaction Cell Construction using 40 mL Vials Gas tight extraction cells were designed and constructed to serve as a means to...ground surface GC gas chromatograph HPLC high-performance liquid chromatography ISCO in situ chemical oxidation MNA monitored natural attenuation...fracture-matrix interface. Mazurek et al. (1996) showed that fractures within shales were coated with birnessite and gypsum. Thus, the impacts of

Achieving More Sustainable Designs through a Process Synthesis-Intensification Framework

DEFF Research Database (Denmark)

Babi, Deenesh Kavi; Woodley, John; Gani, Rafiqul

2014-01-01

More sustainable process designs refer to design alternatives that correspond to lowervalues of a set of targeted performance criteria. In this paper, a multi-level frameworkfor process synthesis-intensification that leads to more sustainable process designs ispresented. At the highest level of a...

A Gaussian decision-support tool for engineering design process

NARCIS (Netherlands)

Rajabali Nejad, Mohammadreza; Spitas, Christos

2013-01-01

Decision-making in design is of great importance, resulting in success or failure of a system (Liu et al., 2010; Roozenburg and Eekels, 1995; Spitas, 2011a). This paper describes a robust decision-support tool for engineering design process, which can be used throughout the design process in either

Designing reactive distillation processes with improved efficiency

NARCIS (Netherlands)

Almeida-Rivera, C.P.

2005-01-01

In this dissertation a life-span inspired perspective is taken on the conceptual design of grassroots reactive distillation processes. Attention was paid to the economic performance of the process and to potential losses of valuable resources over the process life span. The research was cast in a

Design and Integration for Biodiesel Production from Vegetable Oil via Transesterification Reaction

Directory of Open Access Journals (Sweden)

F Abbaspour Aghdam

2018-03-01

Full Text Available Introduction Biodiesel is Fatty Acid Methyl Esters (FAME which is used as a renewable fuel in diesel engines. Extraction of lipid from various flora sources, including Sunflower, Palm, Canola or animal oils, with a Trans-Esterification reaction between alcohol and Triglyceride (TG, leads to production of Biodiesel and Glycerin. The production cost of biodiesel is so important that is now considered as the greatest obstacle during scale-up process. In this research, a model-type of biodiesel production unit (using vegetable oil source, was designed by Aspen HYSYS V7.2 software, then a great deal of the attempt was employed to optimize the overall yield against the processing parameters including: mass and energy consumption load, as well as some technical discussion regarding associated apparatuses. Materials and Methods Process Design The simulation was carried out using Aspen HYSYS V7.2 employing Triolein (as TG, Oleic acid (as Free Fatty Acid (FFA, and Oleat as biodiesel. Avoiding side-stream reactions as well as trans-esterification, the FFA content was taken to a mere 0.05% (%mass. Feed stream was considered as product of NaOH-catalyzed bi-reactor system operating at 60˚C and 1 atm with the overall conversion of 70% using two series reactors. The ratio of TG to Alcohol is 1:3, however, owing to establish an appropriate reactor performance; this ratio was applied as 1:6 practically. The design was mainly intended to produce 480 m3d-1 biodiesel with mass concentration of 99.65%. Methanol was used in this investigation due to low cost, accessibility and handling considerations. NRTL was taken as the Equation of State (EOS for the process and should be used PRSV equation in the decanter. Thermal Integration Energy consumption was taken into account as basis of optimization in this study. Table 2 demonstrates the thermal characteristics of all streams consist of source and down-streams, while outlet stream like glycerol streams were neglected to

Improving the requirements process in Axiomatic Design Theory

DEFF Research Database (Denmark)

Thompson, Mary Kathryn

2013-01-01

This paper introduces a model to integrate the traditional requirements process into Axiomatic Design Theory and proposes a method to structure the requirements process. The method includes a requirements classification system to ensure that all requirements information can be included...... in the Axiomatic Design process, a stakeholder classification system to reduce the chances of excluding one or more key stakeholders, and a table to visualize the mapping between the stakeholders and their requirements....

Analysis of Work Design in Rubber Processing Plant

OpenAIRE

Wahyuni Dini; Nasution Harmein; Budiman Irwan; Wijaya Khairini

2018-01-01

The work design illustrates how structured jobs, tasks, and roles are defined and modified and their impact on individuals, groups, and organizations. If the work is not designed well, the company must pay greater costs for workers’ health, longer production processes or even penalties for not being able to meet the delivery schedule. This is visible to the condition in a rubber processing factory in North Sumatra. Work design aspects such as layouts, machinery and equipment, worker's physica...

Design of a facility for the in situ measurement of catalytic reaction by neutron scattering spectroscopy

Science.gov (United States)

Tan, Shuai; Cheng, Yongqiang; Daemen, Luke L.; Lutterman, Daniel A.

2018-01-01

Catalysis is a critical enabling science for future energy needs. The next frontier of catalysis is to evolve from catalyst discovery to catalyst design, and for this next step to be realized, we must develop new techniques to better understand reaction mechanisms. To do this, we must connect catalytic reaction rates and selectivities to the kinetics, energetics, and dynamics of individual elementary steps and relate these to the structure and dynamics of the catalytic sites involved. Neutron scattering spectroscopies offer unique capabilities that are difficult or impossible to match by other techniques. The current study presents the development of a compact and portable instrumental design that enables the in situ investigation of catalytic samples by neutron scattering techniques. The developed apparatus was tested at the Spallation Neutron Source (SNS) in Oak Ridge National Laboratory and includes a gas handling panel that allows for computer hookups to control the panel externally and online measurement equipment such as coupled GC-FID/TCD (Gas Chromatography-Flame Ionization Detector/Thermal Conductivity Detector) and MS (Mass Spectrometry) to characterize offgassing while the sample is in the neutron scattering spectrometer. This system is flexible, modular, compact, and portable enabling its use for many types of gas-solid and liquid-solid reactions at the various beamlines housed at the SNS.

A sensitivity study of s-process: the impact of uncertainties from nuclear reaction rates

Science.gov (United States)

Vinyoles, N.; Serenelli, A.

2016-01-01

The slow neutron capture process (s-process) is responsible for the production of about half the elements beyond the Fe-peak. The production sites and the conditions under which the different components of s-process occur are relatively well established. A detailed quantitative understanding of s-process nucleosynthesis may yield light in physical processes, e.g. convection and mixing, taking place in the production sites. For this, it is important that the impact of uncertainties in the nuclear physics is well understood. In this work we perform a study of the sensitivity of s-process nucleosynthesis, with particular emphasis in the main component, on the nuclear reaction rates. Our aims are: to quantify the current uncertainties in the production factors of s-process elements originating from nuclear physics and, to identify key nuclear reactions that require more precise experimental determinations. In this work we studied two different production sites in which s-process occurs with very different neutron exposures: 1) a low-mass extremely metal-poor star during the He-core flash (nn reaching up to values of ∼ 1014cm-3); 2) the TP-AGB phase of a M⊙, Z=0.01 model, the typical site of the main s-process component (nn up to 108 — 109cm-3). In the first case, the main variation in the production of s-process elements comes from the neutron poisons and with relative variations around 30%-50%. In the second, the neutron poison are not as important because of the higher metallicity of the star that actually acts as a seed and therefore, the final error of the abundances are much lower around 10%-25%.

Chemical process and plant design bibliography 1959-1989

International Nuclear Information System (INIS)

Ray, M.S.

1991-01-01

This book is concerned specifically with chemical process in formation and plant equipment design data. It is a source for chemical engineers, students and academics involved in process and design evaluation. Over 500 chemical categories are included, from Acetaldehyde to zirconium Dioxide, with cross-referencing within the book to appropriate associated chemicals

Interfacial reaction between SiC and aluminium due to extrusion and heat treatment process

International Nuclear Information System (INIS)

Junaidah Jai; Fauzi Ismail; Samsiah Sulaiman; Patthi Hussain, Azmi Idris; Yoichi Murakoshi

1999-01-01

Chemical interaction between aluminium (Al) and silicon carbide (SiC) produces aluminium carbide (Al 4 C 3 ) which presents potential problems in the production and application of Al/SiC Metal Matrix Composit (MMC). The Al 4 C 3 formed can reduce material properties such as strength in the MMC. This research work investigates the interface reaction in Al 7075/SiC MMC made through hot extrusion process. Mixed Al 7075/SiC MMC powders were pressed at 300 degree C and extruded at 500 degree C, with a reduction ratio of 20:1. The extruded MMC was then heat-treated in air at various temperatures from 560 degree C, 600 degree C, 640 degree C, 700 degree C to 800 degree C in order to observe the interface reaction of the MMC materials. The heat-treated MMCs were then analyzed under the optical microscope, X-ray Diffraction (XRD) Spectroscope and Scanning Electron Microscope (SEM) with Energy Dispersive X-ray (EDAZ) attachment to observe the interface reaction within the MMCs. This investigation confirms there was interface reaction between SiC and aluminium

The complex reaction kinetics of neptunium including redox and extraction process in 30% TBP-nitric acid system

International Nuclear Information System (INIS)

Hu Zhang; Zhan-yuan Liu; Xian-ming Zhou; Li Li

2017-01-01

In order to understand the complex and dynamic neptunium process chemistry in the TBP-HNO_3 system, the kinetics involved reversible redox reaction and extraction mass transfer was investigated. The results indicates that the mass transfer rate of Np(VI) is much faster than the redox reaction in aqueous solution. The concentrations of nitric acid and nitrous acid not only can change the Np(V) oxidation reaction and Np(VI) reduction reaction rate, but also can ultimately determine the distribution of neptunium extraction equilibrium. The variety of temperature can only influence the extraction equilibrium time, but cannot alter the equilibrium state of neptunium. (author)

The opto-mechanical design process: from vision to reality

Science.gov (United States)

Kvamme, E. Todd; Stubbs, David M.; Jacoby, Michael S.

2017-08-01

The design process for an opto-mechanical sub-system is discussed from requirements development through test. The process begins with a proper mission understanding and the development of requirements for the system. Preliminary design activities are then discussed with iterative analysis and design work being shared between the design, thermal, and structural engineering personnel. Readiness for preliminary review and the path to a final design review are considered. The value of prototyping and risk mitigation testing is examined with a focus on when it makes sense to execute a prototype test program. System level margin is discussed in general terms, and the practice of trading margin in one area of performance to meet another area is reviewed. Requirements verification and validation is briefly considered. Testing and its relationship to requirements verification concludes the design process.

Logic-programming language enriches design processes

Energy Technology Data Exchange (ETDEWEB)

Kitson, B.; Ow-Wing, K.

1984-03-22

With the emergence of a set of high-level CAD tools for programmable logic devices, designers can translate logic into functional custom devices simply and efficiently. The core of the package is a blockstructured hardware description language called PLPL, for ''programmable-logic programming language.'' The cheif advantage of PLPL lies in its multiple input formats, which permit different design approaches for a variety of design problems. The higher the level of the approach, the closer PLPL will come to directly specifying the desired function. Intermediate steps in the design process can be eliminated, along with the errors that might have been generated during those steps.

Evaluation of early tissue reactions after lumbar intertransverse process fusion using CT in a rabbit

International Nuclear Information System (INIS)

Shinbo, Jun; Mainil-Varlet, Pierre; Watanabe, Atsuya; Pippig, Suzanne; Koener, Jens; Anderson, Suzanne E.

2010-01-01

The objective of the study was to evaluate tissue reactions such as bone genesis, cartilage genesis and graft materials in the early phase of lumbar intertransverse process fusion in a rabbit model using computed tomography (CT) imaging with CT intensity (Hounsfield units) measurement, and to compare these data with histological results. Lumbar intertransverse process fusion was performed on 18 rabbits. Four graft materials were used: autograft bone (n=3); collagen membrane soaked with recombinant human bone morphogenetic protein-2 (rhBMP-2) (n=5); granular calcium phosphate (n=5); and granular calcium phosphate coated with rhBMP-2 (n=5). All rabbits were euthanized 3 weeks post-operatively and lumbar spines were removed for CT imaging and histological examination. Computed tomography imaging demonstrated that each fusion mass component had the appropriate CT intensity range. CT also showed the different distributions and intensities of bone genesis in the fusion masses between the groups. Each component of tissue reactions was identified successfully on CT images using the CT intensity difference. Using CT color mapping, these observations could be easily visualized, and the results correlated well with histological findings. The use of CT intensity is an effective approach for observing and comparing early tissue reactions such as newly synthesized bone, newly synthesized cartilage, and graft materials after lumbar intertransverse process fusion in a rabbit model. (orig.)

Ergonomics in Design Processes: The journey from Ergonomist toward Workspace Designer

DEFF Research Database (Denmark)

Seim, Rikke; Broberg, Ole; Andersen, Vibeke

2014-01-01

in workplace design processes in companies. The basic idea in Workspace Design was that ergonomists should take a new role and apply new participatory methods when involved as consultants. The course of the project was evaluated by the application of social learning theory. The goal was to find out if and why...

Quantum mechanical design of enzyme active sites.

Science.gov (United States)

Zhang, Xiyun; DeChancie, Jason; Gunaydin, Hakan; Chowdry, Arnab B; Clemente, Fernando R; Smith, Adam J T; Handel, T M; Houk, K N

2008-02-01

The design of active sites has been carried out using quantum mechanical calculations to predict the rate-determining transition state of a desired reaction in presence of the optimal arrangement of catalytic functional groups (theozyme). Eleven versatile reaction targets were chosen, including hydrolysis, dehydration, isomerization, aldol, and Diels-Alder reactions. For each of the targets, the predicted mechanism and the rate-determining transition state (TS) of the uncatalyzed reaction in water is presented. For the rate-determining TS, a catalytic site was designed using naturalistic catalytic units followed by an estimation of the rate acceleration provided by a reoptimization of the catalytic site. Finally, the geometries of the sites were compared to the X-ray structures of related natural enzymes. Recent advances in computational algorithms and power, coupled with successes in computational protein design, have provided a powerful context for undertaking such an endeavor. We propose that theozymes are excellent candidates to serve as the active site models for design processes.

The CANDU 9 distributed control system design process

International Nuclear Information System (INIS)

Harber, J.E.; Kattan, M.K.; Macbeth, M.J.

1997-01-01

Canadian designed CANDU pressurized heavy water nuclear reactors have been world leaders in electrical power generation. The CANDU 9 project is AECL's next reactor design. Plant control for the CANDU 9 station design is performed by a distributed control system (DCS) as compared to centralized control computers, analog control devices and relay logic used in previous CANDU designs. The selection of a DCS as the platform to perform the process control functions and most of the data acquisition of the plant, is consistent with the evolutionary nature of the CANDU technology. The control strategies for the DCS control programs are based on previous CANDU designs but are implemented on a new hardware platform taking advantage of advances in computer technology. This paper describes the design process for developing the CANDU 9 DCS. Various design activities, prototyping and analyses have been undertaken in order to ensure a safe, functional, and cost-effective design. (author)

Analysis of reaction and transport processes in zinc air batteries

CERN Document Server

Schröder, Daniel

2016-01-01

This book contains a novel combination of experimental and model-based investigations, elucidating the complex processes inside zinc air batteries. The work presented helps to answer which battery composition and which air-composition should be adjusted to maintain stable and efficient charge/discharge cycling. In detail, electrochemical investigations and X-ray transmission tomography are applied on button cell zinc air batteries and in-house set-ups. Moreover, model-based investigations of the battery anode and the impact of relative humidity, active operation, carbon dioxide and oxygen on zinc air battery operation are presented. The techniques used in this work complement each other well and yield an unprecedented understanding of zinc air batteries. The methods applied are adaptable and can potentially be applied to gain further understanding of other metal air batteries. Contents Introduction on Zinc Air Batteries Characterizing Reaction and Transport Processes Identifying Factors for Long-Term Stable O...

Study on structural design technique of silicon carbide applied for thermochemical hydrogen production IS process

International Nuclear Information System (INIS)

Takegami, Hiroaki; Terada, Atsuhiko; Inagaki, Yoshiyuki; Ishikura, Syuichi

2011-03-01

The IS process is the hydrogen production method which used the thermochemical reaction cycle of sulfuric acid and iodyne. Therefore, the design to endure the high temperature and moreover corrode-able environment is required to the equipment. Specifically, the sulfuric acid decomposer which is one of the main equipment of the IS process is the equipment to heat with hot helium and for the sulfuric acid of 90 wt% to evaporate. Moreover, it is the important equipment to supply the SO 3 decomposer which is the following process, resolving the part of sulfuric acid vapor into SO 3 with. The heat exchanger that sulfuric acid evaporates must be made pressure-resistant structure because it has the high-pressure helium of 4 MPa and the material that the high temperature and the corrosion environment of equal to or more than 700degC can be endured must be used. As the material, it is selected from the corrosion experiment and so on when SiC which is carbonization silicone ceramics is the most excellent material. However, even if it damages the ceramic block which is a heat exchanger because it becomes the structure which is stored in pressure-resistant metallic container, fluid such as sulfuric acid becomes the structure which doesn't leak out outside. However, the structure design technique to have been unified when using ceramics as the structure part isn't serviced as the standard. This report is the one which was studied about the structural design technique to have taken the material strength characteristic of the ceramics into consideration, refer to existing structural design standard. (author)

Reported Design Processes for Accessibility in Rail Transport

DEFF Research Database (Denmark)

Herriott, Richard; Cook, Sharon

2014-01-01

Accessibility is a fundamental requirement in public transport (PT) yet there exists little research on design for accessibility or inclusive design (ID) in this area. This paper sets out to discover what methods are used in the rail sector to achieve accessibility goals and to examine how far...... these methods deviate from user-centred and ID norms. Semi-structured interviews were conducted with nine rolling stock producers, operators and design consultancies. The purpose was to determine if ID design methods are used explicitly and the extent to which the processes used conformed to ID (if at all......). The research found that the role of users in the design process of manufacturers was limited and that compliance with industry standards was the dominant means to achieving accessibility goals. Design consultancies were willing to apply more user-centred design if the client requested it. Where operators were...

Process Intensification. Continuous Two-Phase Catalytic Reactions in a Table-Top Centrifugal Contact Separator

NARCIS (Netherlands)

Kraai, Gerard N.; Schuur, Boelo; van Zwol, Floris; Haak, Robert M.; Minnaard, Adriaan J.; Feringa, Ben L.; Heeres, Hero J.; de Vries, Johannes G.; Prunier, ML

2009-01-01

Production of fine chemicals is mostly performed in batch reactors. Use of continuous processes has many advantages which may reduce the cost of production. We have developed the use of centrifugal contact separators (CCSs) for continuous two-phase catalytic reactions. This equipment has previously

Teaching Sustainable Process Design Using 12 Systematic Computer-Aided Tasks

DEFF Research Database (Denmark)

Babi, Deenesh K.

2015-01-01

(tasks 4-7) and then sizing, costing and economic analysis of the designed process (tasks 8-9). This produces a base case design. In tasks 10-12, the student explores opportunities for heat and/or mass integration, followed by a sustainability analysis, in order to evaluate the base case design and set......In this paper a task-based approach for teaching (sustainable) process design to students pursuing a degree in chemical and biochemical engineering is presented. In tasks 1-3 the student makes design decisions for product and process selection followed by simple and rigorous model simulations...... targets for further improvement. Finally, a process optimization problem is formulated and solved to obtain the more sustainable process design. The 12 tasks are explained in terms of input and output of each task and examples of application of this approach in an MSclevel course are reported....

Optimization of a Coupling Process for Insulin Degludec According to a Quality by Design (QbD) Paradigm.

Science.gov (United States)

Nie, Lei; Hu, Mingming; Yan, Xu; Guo, Tingting; Wang, Haibin; Zhang, Sheng; Qu, Haibin

2018-05-03

This case study described a successful application of the quality by design (QbD) principles to a coupling process development of insulin degludec. Failure mode effects analysis (FMEA) risk analysis was first used to recognize critical process parameters (CPPs). Five CPPs, including coupling temperature (Temp), pH of desB30 solution (pH), reaction time (Time), desB30 concentration (Conc), and molar equivalent of ester per mole of desB30 insulin (MolE), were then investigated using a fractional factorial design. The curvature effect was found significant, indicating the requirement of second-order models. Afterwards, a central composite design was built with an augmented star and center points study. Regression models were developed for the CPPs to predict the purity and yield of predegludec using above experimental data. The R 2 and adjusted R 2 were higher than 96 and 93% for the two models respectively. The Q 2 values were more than 80% indicating a good predictive ability of models. MolE was found to be the most significant factor affecting both yield and purity of predegludec. Temp, pH, and Conc were also significant for predegludec purity, while Time appeared to remarkably influence the yield model. The multi-dimensional design space and normal operating region (NOR) with a robust setpoint were determined using a probability-based Monte-Carlo simulation method. The verified experimental results showed that the design space was reliable and effective. This study enriches the understanding of acetylation process and is instructional to other complicated operations in biopharmaceutical engineering.

MbT-Tool: An open-access tool based on Thermodynamic Electron Equivalents Model to obtain microbial-metabolic reactions to be used in biotechnological process

Directory of Open Access Journals (Sweden)

Pablo Araujo Granda

2016-01-01

Full Text Available Modelling cellular metabolism is a strategic factor in investigating microbial behaviour and interactions, especially for bio-technological processes. A key factor for modelling microbial activity is the calculation of nutrient amounts and products generated as a result of the microbial metabolism. Representing metabolic pathways through balanced reactions is a complex and time-consuming task for biologists, ecologists, modellers and engineers. A new computational tool to represent microbial pathways through microbial metabolic reactions (MMRs using the approach of the Thermodynamic Electron Equivalents Model has been designed and implemented in the open-access framework NetLogo. This computational tool, called MbT-Tool (Metabolism based on Thermodynamics can write MMRs for different microbial functional groups, such as aerobic heterotrophs, nitrifiers, denitrifiers, methanogens, sulphate reducers, sulphide oxidizers and fermenters. The MbT-Tool's code contains eighteen organic and twenty inorganic reduction-half-reactions, four N-sources (NH4+, NO3−, NO2−, N2 to biomass synthesis and twenty-four microbial empirical formulas, one of which can be determined by the user (CnHaObNc. MbT-Tool is an open-source program capable of writing MMRs based on thermodynamic concepts, which are applicable in a wide range of academic research interested in designing, optimizing and modelling microbial activity without any extensive chemical, microbiological and programing experience.

Rate of information processing and reaction time of aircraft pilots and non-pilots

Directory of Open Access Journals (Sweden)

Werner Barkhuizen

2002-09-01

Full Text Available Reaction time and rate of information processing are cited as critical components in the make-up of pilots. A need was identified to establish the validity of various chronometric measures in the selection of pilots. Fifty-eight military and commercial pilots and twenty non-pilots were subjected to Schepers’ Computerised Information Processing Test Battery, which measures reaction time, form discrimination time, colour discrimination time, rate of information processing (perceptual and rate of information processing (conceptual. Five hypotheses and one postulate were formulated and tested. The results indicate that pilots could be differentiated from non-pilots with 92,3% accuracy. However, the results need to be cross-validated before they are used for selection. Opsomming Reaksietyd en tempo van inligtingverwerking word as kritieke komponente in die samestelling van vlieëniers beskou. ‘n Behoefte is geïdentifiseer om die geldigheid van verskeie chronometriese metinge in vlieënierskeuring te bepaal. Agt en vyftig militêre en kommersiële vlieëniers en twintig nie-vlieëniers is onderwerp aan Schepers se Gerekenariseerde Inligtingverwerkingstoets-battery wat reaksietyd, vormdiskriminasietyd, kleurdiskriminasietyd, tempo van inligtingverwerking (perseptueel en tempo van inligtingverwerking (konseptueel meet. Vyf hipoteses en een postulaat is gestel en getoets. Die resultate dui daarop dat vlieëniers met 92,3% akkuraatheid van nievlieëniers onderskei kan word. Die resultate behoort egter eers gekruisvalideer te word voordat dit finaal vir keuring gebruik kan word.

Robust Unconventional Interaction Design and Hybrid Tool Environments for Design and Engineering Processes

NARCIS (Netherlands)

Wendrich, Robert E.; Kruiper, Ruben

2017-01-01

This paper investigates how and whether existing or current design tools, assist and support designers and engineers in the early-phases of ideation and conceptualization stages of design and engineering processes. The research explores how fluidly and/or congruously technology affords cognitive,

Reaction-diffusion processes in zero transverse dimensions as toy models for high-energy QCD

International Nuclear Information System (INIS)

Armesto, Nestor; Bondarenko, Sergey; Quiroga-Arias, Paloma; Milhano, Jose Guilherme

2008-01-01

We examine numerically different zero-dimensional reaction-diffusion processes as candidate toy models for high-energy QCD evolution. Of the models examined-Reggeon Field Theory, Directed Percolation and Reversible Processes-only the latter shows the behaviour commonly expected, namely an increase of the scattering amplitude with increasing rapidity. Further, we find that increasing recombination terms, quantum loops and the heuristic inclusion of a running of the couplings, generically slow down the evolution.

Noise control, sound, and the vehicle design process

Science.gov (United States)

Donavan, Paul

2005-09-01

For many products, noise and sound are viewed as necessary evils that need to be dealt with in order to bring the product successfully to market. They are generally not product ``exciters'' although some vehicle manufacturers do tune and advertise specific sounds to enhance the perception of their products. In this paper, influencing the design process for the ``evils,'' such as wind noise and road noise, are considered in more detail. There are three ingredients to successfully dealing with the evils in the design process. The first of these is knowing how excesses in noise effects the end customer in a tangible manner and how that effects customer satisfaction and ultimately sells. The second is having and delivering the knowledge of what is required of the design to achieve a satisfactory or even better level of noise performance. The third ingredient is having the commitment of the designers to incorporate the knowledge into their part, subsystem or system. In this paper, the elements of each of these ingredients are discussed in some detail and the attributes of a successful design process are enumerated.

The competition between cathodic oxygen and ozone reduction and its role in dictating the reaction mechanisms of an electro-peroxone process.

Science.gov (United States)

Xia, Guangsen; Wang, Yujue; Wang, Bin; Huang, Jun; Deng, Shubo; Yu, Gang

2017-07-01

Previous studies indicate that effective generation of hydrogen peroxide (H 2 O 2 ) from cathodic oxygen (O 2 ) reduction is critical for the improved water treatment performance (e.g., enhanced pollutant degradation and reduced bromate formation) during the electro-peroxone (E-peroxone) process (a combined process of electrolysis and ozonation). However, undesired reactions (e.g., O 3 , H 2 O 2 , and H 2 O reductions) may occur in competition with O 2 reduction at the cathode. To get a better understanding of how these side reactions would affect the process, this study investigated the cathodic reaction mechanisms during electrolysis with O 2 /O 3 gas mixture sparging using various electrochemical techniques (e.g., linear sweep voltammetry and stepped-current chronopotentiometry). Results show that when a carbon brush cathode was used during electrolysis with O 2 /O 3 sparging, H 2 O and H 2 O 2 reductions were usually negligible cathodic reactions. However, O 3 can be preferentially reduced at much more positive potentials (ca. 0.9 V vs. SCE) than O 2 (ca. -0.1 V vs. SCE) at the carbon cathode. Therefore, cathodic O 2 reduction was inhibited when the process was operated under current limited conditions for cathodic O 3 reduction. The inhibition of O 2 reduction prevented the desired E-peroxone process (cathodic O 2 reduction to H 2 O 2 and ensuing reaction of H 2 O 2 with O 3 to OH) from occurring. In contrast, when cathodic O 3 reduction was limited by O 3 mass transfer to the cathode, cathodic O 2 reduction to H 2 O 2 could occur, thus enabling the E-peroxone process to enhance pollutant degradation and mineralization. Many process and water parameters (applied current, ozone dose, and reactivity of water constituents with O 3 ) can cause fundamental changes in the cathodic reaction mechanisms, thus profoundly influencing water treatment performance during the E-peroxone process. To exploit the benefits of H 2 O 2 in water treatment, reaction conditions

The Influence of Toy Design Activities on Middle School Students' Understanding of the Engineering Design Processes

Science.gov (United States)

Zhou, Ninger; Pereira, Nielsen L.; George, Tarun Thomas; Alperovich, Jeffrey; Booth, Joran; Chandrasegaran, Senthil; Tew, Jeffrey David; Kulkarni, Devadatta M.; Ramani, Karthik

2017-10-01

The societal demand for inspiring and engaging science, technology, engineering, and mathematics (STEM) students and preparing our workforce for the emerging creative economy has necessitated developing students' self-efficacy and understanding of engineering design processes from as early as elementary school levels. Hands-on engineering design activities have shown the potential to promote middle school students' self-efficacy and understanding of engineering design processes. However, traditional classrooms often lack hands-on engineering design experiences, leaving students unprepared to solve real-world design problems. In this study, we introduce the framework of a toy design workshop and investigate the influence of the workshop activities on students' understanding of and self-efficacy beliefs in engineering design. Using a mixed method approach, we conducted quantitative analyses to show changes in students' engineering design self-efficacy and qualitative analyses to identify students' understanding of the engineering design processes. Findings show that among the 24 participants, there is a significant increase in students' self-efficacy beliefs after attending the workshop. We also identified major themes such as design goals and prototyping in students' understanding of engineering design processes. This research provides insights into the key elements of middle school students' engineering design learning and the benefits of engaging middle school students in hands-on toy design workshops.

Understanding Creative Design Processes by Integrating Sketching and CAD Modelling Design Environments: A Preliminary Protocol Result from Architectural Designers

Directory of Open Access Journals (Sweden)

Yi Teng Shih

2015-11-01

Full Text Available This paper presents the results of a preliminary protocol study of the cognitive behaviour of architectural designers during the design process. The aim is to better understand the similarities and differences in cognitive behaviour using Sequential Mixed Media (SMM and Alternative Mixed Media (AMM approaches, and how switching between media may impact on design processes. Two participants with at least one-year’s professional design experience and a Bachelor of Design degree, and competence in both sketching and computer-aid design (CAD modelling participated in the study. Video recordings of participants working on different projects were coded using the Function-Behaviour-Structure (FBS coding scheme. Participants were also interviewed and their explanations about their switching behaviours were categorised into three types: S→C, S/C↹R and C→S. Preliminary results indicate that switching between media may influence how designers identify problems and develop solutions. In particular, two design issues were identified.  These relate to the FBS coding scheme, where structure (S and behaviour derived from structure (Bs, change to documentation (D after switching from sketching to CAD modelling (S→C. These switches make it possible for designers to integrate both approaches into one design medium and facilitate their design processes in AMM design environments.

A transformation theory of stochastic evolution in Red Moon methodology to time evolution of chemical reaction process in the full atomistic system.

Science.gov (United States)

Suzuki, Yuichi; Nagaoka, Masataka

2017-05-28

Atomistic information of a whole chemical reaction system, e.g., instantaneous microscopic molecular structures and orientations, offers important and deeper insight into clearly understanding unknown chemical phenomena. In accordance with the progress of a number of simultaneous chemical reactions, the Red Moon method (a hybrid Monte Carlo/molecular dynamics reaction method) is capable of simulating atomistically the chemical reaction process from an initial state to the final one of complex chemical reaction systems. In the present study, we have proposed a transformation theory to interpret the chemical reaction process of the Red Moon methodology as the time evolution process in harmony with the chemical kinetics. For the demonstration of the theory, we have chosen the gas reaction system in which the reversible second-order reaction H 2 + I 2  ⇌ 2HI occurs. First, the chemical reaction process was simulated from the initial configurational arrangement containing a number of H 2 and I 2 molecules, each at 300 K, 500 K, and 700 K. To reproduce the chemical equilibrium for the system, the collision frequencies for the reactions were taken into consideration in the theoretical treatment. As a result, the calculated equilibrium concentrations [H 2 ] eq and equilibrium constants K eq at all the temperatures were in good agreement with their corresponding experimental values. Further, we applied the theoretical treatment for the time transformation to the system and have shown that the calculated half-life τ's of [H 2 ] reproduce very well the analytical ones at all the temperatures. It is, therefore, concluded that the application of the present theoretical treatment with the Red Moon method makes it possible to analyze reasonably the time evolution of complex chemical reaction systems to chemical equilibrium at the atomistic level.

Incorporating Human Factors into design change processes - a regulator's perspective

International Nuclear Information System (INIS)

Staples, L.; McRobbie, H.

2003-01-01

Nuclear power plants in Canada must receive written approval from the Canadian Nuclear Safety Commission (CNSC) when making certain changes that are defined in their licenses. The CNSC expects the design change process to include a method for ensuring that the human-machine interface and workplace design support the safe and reliable performance of required tasks. When reviewing design changes for approval, the CNSC looks for evidence of analysis work, use of appropriate human factors design guide-lines, and verification and validation testing of the design. In addition to reviewing significant design changes, evaluations are conducted to ensure design change processes adequately address human performance. Findings from reviews and evaluations highlight the need to integrate human factors into the design change process, provide human factors training and support to engineering staff, establish processes to ensure coordination between the various groups with a vested interest in human factors, and develop more rigorous methods to validate changes to maintenance, field operations and testing interfaces. (author)

Management of Constraint Generators in Fashion Store Design Processes

DEFF Research Database (Denmark)

Borch Münster, Mia; Haug, Anders

2017-01-01

of the literature and eight case studies of fashion store design projects. Findings: The paper shows that the influence of the constraint generators decreases during the design process except for supplier-generated constraints, which increase in the final stages of the design process. The paper argues...... is on fashion store design, the findings may, to some degree, be applicable to other types of store design projects. Practical implications: The understandings provided by this paper may help designers to deal proactively with constraints, reducing the use of resources to alter design proposals. Originality......Purpose: Retail design concepts are complex designs meeting functional and aesthetic demands from various constraint generators. However, the literature on this topic is sparse and offers only little support for store designers to deal with such challenges. To address this issue, the purpose...

The application of image processing software: Photoshop in environmental design

Science.gov (United States)

Dong, Baohua; Zhang, Chunmi; Zhuo, Chen

2011-02-01

In the process of environmental design and creation, the design sketch holds a very important position in that it not only illuminates the design's idea and concept but also shows the design's visual effects to the client. In the field of environmental design, computer aided design has made significant improvement. Many types of specialized design software for environmental performance of the drawings and post artistic processing have been implemented. Additionally, with the use of this software, working efficiency has greatly increased and drawings have become more specific and more specialized. By analyzing the application of photoshop image processing software in environmental design and comparing and contrasting traditional hand drawing and drawing with modern technology, this essay will further explore the way for computer technology to play a bigger role in environmental design.

Alternative interpretation of low-energy nuclear reaction processes with deuterated metals based on the Bose-Einstein condensation mechanism

International Nuclear Information System (INIS)

Yeong, E. Kim; Passell, Thomas O.

2006-01-01

Recently, a generalization of the Bose-Einstein condensation (BEC) mechanism has been made to a ground-state mixture of two different species of positively charged bosons in harmonic traps. The theory has been used to describe (D + Li) reactions in the low energy nuclear reaction (LENR) processes in condensed matter and predicts that the (D + Li) reaction rates can be larger than (D + D) reaction rates by as much as a factor of ∼ 50, implying that (D + Li) reactions may be occurring in addition to the (D + D) reactions. A survey of the existing data from LENR experiments is carried out to check the validity of the theoretical prediction. We conclude that there is compelling experimental evidence which support the theoretical prediction. New experimental tests of the theoretical prediction are suggested. (authors)

Alternative Interpretation of Low-Energy Nuclear Reaction Processes with Deuterated Metals Based on the Bose-Einstein Condensation Mechanism

Science.gov (United States)

Kim, Yeong E.; Passell, Thomas O.

2006-02-01

Recently, a generalization of the Bose-Einstein condensation (BEC) mechanism has been made to a ground-state mixture of two different species of positively charged bosons in harmonic traps. The theory has been used to describe (D + Li) reactions in the low energy nuclear reaction (LENR) processes in condensed matter and predicts that the (D + Li) reaction rates can be larger than (D + D) reaction rates by as much as a factor of ~50, implying that (D + Li) reactions may be occuring in addition to the (D + D) reactions. A survey of the existing data from LENR experiments is carried out to check the validity of the theoretical prediction. We conclude that there is compelling experimental evidence which support the theoretical prediction. New experimental tests of the theoretical prediction are suggested.

Alternative interpretation of low-energy nuclear reaction processes with deuterated metals based on the Bose-Einstein condensation mechanism