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Sample records for chemical flooding simulator

  1. Efficient Scheme for Chemical Flooding Simulation

    Directory of Open Access Journals (Sweden)

    Braconnier Benjamin

    2014-07-01

    Full Text Available In this paper, we investigate an efficient implicit scheme for the numerical simulation of chemical enhanced oil recovery technique for oil fields. For the sake of brevity, we only focus on flows with polymer to describe the physical and numerical models. In this framework, we consider a black oil model upgraded with the polymer modeling. We assume the polymer only transported in the water phase or adsorbed on the rock following a Langmuir isotherm. The polymer reduces the water phase mobility which can change drastically the behavior of water oil interfaces. Then, we propose a fractional step technique to resolve implicitly the system. The first step is devoted to the resolution of the black oil subsystem and the second to the polymer mass conservation. In such a way, jacobian matrices coming from the implicit formulation have a moderate size and preserve solvers efficiency. Nevertheless, the coupling between the black-oil subsystem and the polymer is not fully resolved. For efficiency and accuracy comparison, we propose an explicit scheme for the polymer for which large time step is prohibited due to its CFL (Courant-Friedrichs-Levy criterion and consequently approximates accurately the coupling. Numerical experiments with polymer are simulated : a core flood, a 5-spot reservoir with surfactant and ions and a 3D real case. Comparisons are performed between the polymer explicit and implicit scheme. They prove that our polymer implicit scheme is efficient, robust and resolves accurately the coupling physics. The development and the simulations have been performed with the software PumaFlow [PumaFlow (2013 Reference manual, release V600, Beicip Franlab].

  2. Numerical simulation of flood barriers

    Science.gov (United States)

    Srb, Pavel; Petrů, Michal; Kulhavý, Petr

    This paper deals with testing and numerical simulating of flood barriers. The Czech Republic has been hit by several very devastating floods in past years. These floods caused several dozens of causalities and property damage reached billions of Euros. The development of flood measures is very important, especially for the reduction the number of casualties and the amount of property damage. The aim of flood control measures is the detention of water outside populated areas and drainage of water from populated areas as soon as possible. For new flood barrier design it is very important to know its behaviour in case of a real flood. During the development of the barrier several standardized tests have to be carried out. Based on the results from these tests numerical simulation was compiled using Abaqus software and some analyses were carried out. Based on these numerical simulations it will be possible to predict the behaviour of barriers and thus improve their design.

  3. Bridging the Gap between Chemical Flooding and Independent Oil Producers

    Energy Technology Data Exchange (ETDEWEB)

    Stan McCool; Tony Walton; Paul Whillhite; Mark Ballard; Miguel Rondon; Kaixu Song; Zhijun Liu; Shahab Ahmed; Peter Senior

    2012-03-31

    Ten Kanas oil reservoirs/leases were studied through geological and engineering analysis to assess the potential performance of chemical flooding to recover oil. Reservoirs/leases that have been efficiently waterflooded have the highest performance potential for chemical flooding. Laboratory work to identify efficient chemical systems and to test the oil recovery performance of the systems was the major effort of the project. Efficient chemical systems were identified for crude oils from nine of the reservoirs/leases. Oil recovery performance of the identified chemical systems in Berea sandstone rocks showed 90+ % recoveries of waterflood residual oil for seven crude oils. Oil recoveries increased with the amount of chemical injected. Recoveries were less in Indiana limestone cores. One formulation recovered 80% of the tertiary oil in the limestone rock. Geological studies for nine of the oil reservoirs are presented. Pleasant Prairie, Trembley, Vinland and Stewart Oilfields in Kansas were the most favorable of the studied reservoirs for a pilot chemical flood from geological considerations. Computer simulations of the performance of a laboratory coreflood were used to predict a field application of chemical flooding for the Trembley Oilfield. Estimates of field applications indicated chemical flooding is an economically viable technology for oil recovery.

  4. Chemical Transformation Simulator

    Science.gov (United States)

    The Chemical Transformation Simulator (CTS) is a web-based, high-throughput screening tool that automates the calculation and collection of physicochemical properties for an organic chemical of interest and its predicted products resulting from transformations in environmental sy...

  5. Two modelling approaches to water-quality simulation in a flooded iron-ore mine (Saizerais, Lorraine, France): a semi-distributed chemical reactor model and a physically based distributed reactive transport pipe network model.

    Science.gov (United States)

    Hamm, V; Collon-Drouaillet, P; Fabriol, R

    2008-02-19

    The flooding of abandoned mines in the Lorraine Iron Basin (LIB) over the past 25 years has degraded the quality of the groundwater tapped for drinking water. High concentrations of dissolved sulphate have made the water unsuitable for human consumption. This problematic issue has led to the development of numerical tools to support water-resource management in mining contexts. Here we examine two modelling approaches using different numerical tools that we tested on the Saizerais flooded iron-ore mine (Lorraine, France). A first approach considers the Saizerais Mine as a network of two chemical reactors (NCR). The second approach is based on a physically distributed pipe network model (PNM) built with EPANET 2 software. This approach considers the mine as a network of pipes defined by their geometric and chemical parameters. Each reactor in the NCR model includes a detailed chemical model built to simulate quality evolution in the flooded mine water. However, in order to obtain a robust PNM, we simplified the detailed chemical model into a specific sulphate dissolution-precipitation model that is included as sulphate source/sink in both a NCR model and a pipe network model. Both the NCR model and the PNM, based on different numerical techniques, give good post-calibration agreement between the simulated and measured sulphate concentrations in the drinking-water well and overflow drift. The NCR model incorporating the detailed chemical model is useful when a detailed chemical behaviour at the overflow is needed. The PNM incorporating the simplified sulphate dissolution-precipitation model provides better information of the physics controlling the effect of flow and low flow zones, and the time of solid sulphate removal whereas the NCR model will underestimate clean-up time due to the complete mixing assumption. In conclusion, the detailed NCR model will give a first assessment of chemical processes at overflow, and in a second time, the PNM model will provide more

  6. Simulating groundwater-induced sewer flooding

    Science.gov (United States)

    Mijic, A.; Mansour, M.; Stanic, M.; Jackson, C. R.

    2016-12-01

    During the last decade, Chalk catchments of southern England experienced severe groundwater flooding. High groundwater levels resulted in the groundwater ingress into the sewer network that led to restricted toilet use and the overflow of diluted, but untreated sewage to road surfaces, rivers and water courses. In response to these events the water and sewerage company Thames Water Utilities Ltd (TWUL) had to allocate significant funds to mitigate the impacts. It was estimated that approximately £19m was spent responding to the extreme wet weather of 2013-14, along with the use of a fleet of over 100 tankers. However, the magnitude of the event was so large that these efforts could not stop the discharge of sewage to the environment. This work presents the analysis of the risk of groundwater-induced sewer flooding within the Chalk catchment of the River Lambourn, Berkshire. A spatially distributed groundwater model was used to assess historic groundwater flood risk and the potential impacts of changes in future climate. We then linked this model to an urban groundwater model to enable us to simulate groundwater-sewer interaction in detail. The modelling setup was used to identify relationships between infiltration into sewers and groundwater levels at specific points on TWUL's sewer network, and to estimate historic and future groundwater flood risk, and how this varies across the catchment. The study showed the significance of understanding the impact of groundwater on the urban water systems, and producing information that can inform a water company's response to groundwater flood risk, their decision making process and their asset management planning. However, the knowledge gained through integrated modelling of groundwater-sewer interactions has highlighted limitations of existing approaches for the simulation of these coupled systems. We conclude this work with number of recommendations about how to improve such hydrological/sewer analysis.

  7. Flood simulation and verification with IoT sensors

    Science.gov (United States)

    Chang, Che-Hao; Hsu, Chih-Tsung; Wu, Shiang-Jen; Huang, Sue-Wei

    2017-04-01

    2D flood dynamic simulation is a vivid tool to demonstrate the possible expose area that sustain impact of high rise of water level. Along with progress in high resolution digital terrain model, the simulation results are quite convinced yet not proved to be close to what is really happened. Due to the dynamic and uncertain essence, the expose area usually could not be well defined during a flood event. Recent development in IoT sensors bring a low power and long distance communication which help us to collect real time flood depths. With these time series of flood depths at different locations, we are capable of verifying the simulation results corresponding to the flood event. 16 flood gauges with IoT specification as well as two flood events in Annan district, Tainan city, Taiwan are examined in this study. During the event in 11, June, 2016, 12 flood gauges works well and 8 of them provide observation match to simulation.

  8. 化学驱数值模拟后处理技术研究%Research on Numerical Simulation of Chemical Flooding Post-processing Technology

    Institute of Scientific and Technical Information of China (English)

    赵建民; 唐茂斌

    2017-01-01

    为了更有效的实现油藏体的三维可视化,对化学驱数值模拟后处理存在的问题进行研究.对国内外现有的Eclipse、VIP等数值模拟软件进行分析,针对各自模拟器模拟得出的数据格式种类繁多、不一致的问题,提出应用面向对象的思想,设计相互兼容的可扩展的接口.利用以八叉树结构为基础的大数据组织管理(LDM)对油藏体网格划分,使用转换关键字的方法实现对不同数值模拟结果文件加载,实现对油藏体的精细描述.%In order to effectively realize the three-dimensional visualization of the reservoir,the problems of the post-processing of chemical drive numerical simulation are studied.The paper analyzes the existing numerical simulation software at home and abroad,such as Eclipse,VIP,etc.There are a wide variety of data formats and inconsistent problems for each simulator simulation;the article proposes to apply the object-oriented idea,and designs mutually compatible extensible interfaces.A large data organization management (LDM) based on octree structure is used to divide the reservoir grid,the method implementation of the transformation keyword is used to load the different numerical simulation result files.It implements the detailed description of the reservoir.

  9. The impact of bathymetry input on flood simulations

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    Khanam, M.; Cohen, S.

    2017-12-01

    Flood prediction and mitigation systems are inevitable for improving public safety and community resilience all over the worldwide. Hydraulic simulations of flood events are becoming an increasingly efficient tool for studying and predicting flood events and susceptibility. A consistent limitation of hydraulic simulations of riverine dynamics is the lack of information about river bathymetry as most terrain data record water surface elevation. The impact of this limitation on the accuracy on hydraulic simulations of flood has not been well studies over a large range of flood magnitude and modeling frameworks. Advancing our understanding of this topic is timely given emerging national and global efforts for developing automated flood predictions systems (e.g. NOAA National Water Center). Here we study the response of flood simulation to the incorporation of different bathymetry and floodplain surveillance source. Different hydraulic models are compared, Mike-Flood, a 2D hydrodynamic model, and GSSHA, a hydrology/hydraulics model. We test a hypothesis that the impact of inclusion/exclusion of bathymetry data on hydraulic model results will vary in its magnitude as a function of river size. This will allow researcher and stake holders more accurate predictions of flood events providing useful information that will help local communities in a vulnerable flood zone to mitigate flood hazards. Also, it will help to evaluate the accuracy and efficiency of different modeling frameworks and gage their dependency on detailed bathymetry input data.

  10. Proper Use of Capillary Number in Chemical Flooding

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    Hu Guo

    2017-01-01

    Full Text Available Capillary number theory is very important for chemical flooding enhanced oil recovery. The difference between microscopic capillary number and the microscopic one is easy to confuse. After decades of development, great progress has been made in capillary number theory and it has important but sometimes incorrect application in EOR. The capillary number theory was based on capillary tube bundles and Darcy’s law hypothesis, and this should always be kept in mind when used in chemical flooding EOR. The flow in low permeability porous media often shows obvious non-Darcy effects, which is beyond Darcy’s law. Experiments data from ASP flooding and SP flooding showed that remaining oil saturation was not always decreasing as capillary number kept on increasing. Relative permeability was proved function of capillary number; its rate dependence was affected by capillary end effects. The mobility control should be given priority rather than lowering IFT. The displacement efficiency was not increased as displacement velocity increased as expected in heavy oil chemical flooding. Largest capillary number does not always make highest recovery in chemical flooding in heterogeneous reservoir. Misuse of CDC in EOR included the ignorance of mobility ratio, Darcy linear flow hypothesis, difference between microscopic capillary number and the microscopic one, and heterogeneity caused flow regime alteration. Displacement of continuous oil or remobilization of discontinuous oil was quite different.

  11. Flood simulation model using XP-SWMM along Terengganu River ...

    African Journals Online (AJOL)

    Malaysia is one of the tropical countries in the world with heavy rainfall throughout the year and floods are the most common disaster in Malaysia. Flood simulation model was carried out along Terengganu River for dry and rainy seasons. The result of the simulation shows the water level reached its maximum level at the 1st ...

  12. Chemical weathering outputs from the flood plain of the Ganga

    Science.gov (United States)

    Bickle, Michael J.; Chapman, Hazel J.; Tipper, Edward; Galy, Albert; De La Rocha, Christina L.; Ahmad, Talat

    2018-03-01

    Transport of sediment across riverine flood plains contributes a significant but poorly constrained fraction of the total chemical weathering fluxes from rapidly eroding mountain belts which has important implications for chemical fluxes to the oceans and the impact of orogens on long term climate. We report water and bedload chemical analyses from the Ganges flood-plain, a major transit reservoir of sediment from the Himalayan orogen. Our data comprise six major southern tributaries to the Ganga, 31 additional analyses of major rivers from the Himalayan front in Nepal, 79 samples of the Ganga collected close to the mouth below the Farakka barrage every two weeks over three years and 67 water and 8 bedload samples from tributaries confined to the Ganga flood plain. The flood plain tributaries are characterised by a shallow δ18O - δD array, compared to the meteoric water line, with a low δDexcess from evaporative loss from the flood plain which is mirrored in the higher δDexcess of the mountain rivers in Nepal. The stable-isotope data confirms that the waters in the flood plain tributaries are dominantly derived from flood plain rainfall and not by redistribution of waters from the mountains. The flood plain tributaries are chemically distinct from the major Himalayan rivers. They can be divided into two groups. Tributaries from a small area around the Kosi river have 87Sr/86Sr ratios >0.75 and molar Na/Ca ratios as high as 6. Tributaries from the rest of the flood plain have 87Sr/86Sr ratios ≤0.74 and most have Na/Ca ratios waters have lost up to 70% of their Ca (average ∼ 50%) to precipitation of secondary calcite which is abundant as a diagenetic cement in the flood plain sediments. 31% of the Sr, 8% of the Ca and 45% of the Mg are calculated to be derived from silicate minerals. Because of significant evaporative loss of water across the flood plain, and in the absence of hydrological data for flood plain tributaries, chemical weathering fluxes from the

  13. Interactive Web-based Floodplain Simulation System for Realistic Experiments of Flooding and Flood Damage

    Science.gov (United States)

    Demir, I.

    2013-12-01

    Recent developments in web technologies make it easy to manage and visualize large data sets with general public. Novel visualization techniques and dynamic user interfaces allow users to create realistic environments, and interact with data to gain insight from simulations and environmental observations. The floodplain simulation system is a web-based 3D interactive flood simulation environment to create real world flooding scenarios. The simulation systems provides a visually striking platform with realistic terrain information, and water simulation. Students can create and modify predefined scenarios, control environmental parameters, and evaluate flood mitigation techniques. The web-based simulation system provides an environment to children and adults learn about the flooding, flood damage, and effects of development and human activity in the floodplain. The system provides various scenarios customized to fit the age and education level of the users. This presentation provides an overview of the web-based flood simulation system, and demonstrates the capabilities of the system for various flooding and land use scenarios.

  14. Hydrological simulation of flood transformations in the upper Danube River: Case study of large flood events

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    Mitková Veronika Bačová

    2016-12-01

    Full Text Available The problem of understand natural processes as factors that restrict, limit or even jeopardize the interests of human society is currently of great concern. The natural transformation of flood waves is increasingly affected and disturbed by artificial interventions in river basins. The Danube River basin is an area of high economic and water management importance. Channel training can result in changes in the transformation of flood waves and different hydrographic shapes of flood waves compared with the past. The estimation and evolution of the transformation of historical flood waves under recent river conditions is only possible by model simulations. For this purpose a nonlinear reservoir cascade model was constructed. The NLN-Danube nonlinear reservoir river model was used to simulate the transformation of flood waves in four sections of the Danube River from Kienstock (Austria to Štúrovo (Slovakia under relatively recent river reach conditions. The model was individually calibrated for two extreme events in August 2002 and June 2013. Some floods that occurred on the Danube during the period of 1991–2002 were used for the validation of the model. The model was used to identify changes in the transformational properties of the Danube channel in the selected river reach for some historical summer floods (1899, 1954 1965 and 1975. Finally, a simulation of flood wave propagation of the most destructive Danube flood of the last millennium (August 1501 is discussed.

  15. Feasibility of oil recovery by chemical flooding through horizontal wells

    Energy Technology Data Exchange (ETDEWEB)

    El-Abbas, A.M.; El-Sallaly, M. E.; Sayyouh, M. H.; El-Batanony, M. H.; Darwich, T. M.; Desouky, S. M. [Cairo Univ (Egypt)

    1998-12-31

    Crude oil production in the Gulf of Suez by polymer, surfactant, and surfactant/polymer flooding from a horizontal well in a scaled five-spot sandpacked model was studied. The suitability of the enhanced oil recovery predictive models, developed by the U.S. Department of Energy, was investigated for their ability to predict the experimental data and to assess the feasibility of oil recovery by chemical flooding. Good agreement was found between the predicted and experimental values. Experimental results showed that oil recovery was significantly affected by the physical properties of the crude oil and chemical solutions; that oil recovery was higher for a polymer flooding than for a surfactant flooding operation; and that oil recovery was improved by increasing the perforated length ratio up to a value of 0.81. A tendency for oil recovery to decrease was observed when the horizontal well was positioned below or above the central axis path of the formation at the advanced injection stages; and oil recovery by surfactant or polymer flooding was significantly affected by the onset timing of the surfactant or polymer slug injection. The oil-water bank stability in surfactant and polymer flooding processes was found to be dependent on slug size and slug injection time. 23 refs., 1 tab., 17 figs.

  16. Urban flood simulation based on the SWMM model

    Directory of Open Access Journals (Sweden)

    L. Jiang

    2015-05-01

    Full Text Available China is the nation with the fastest urbanization in the past decades which has caused serious urban flooding. Flood forecasting is regarded as one of the important flood mitigation methods, and is widely used in catchment flood mitigation, but is not widely used in urban flooding mitigation. This paper, employing the SWMM model, one of the widely used urban flood planning and management models, simulates the urban flooding of Dongguan City in the rapidly urbanized southern China. SWMM is first set up based on the DEM, digital map and underground pipeline network, then parameters are derived based on the properties of the subcatchment and the storm sewer conduits; the parameter sensitivity analysis shows the parameter robustness. The simulated results show that with the 1-year return period precipitation, the studied area will have no flooding, but for the 2-, 5-, 10- and 20-year return period precipitation, the studied area will be inundated. The results show the SWMM model is promising for urban flood forecasting, but as it has no surface runoff routing, the urban flooding could not be forecast precisely.

  17. Simulating Catchment Scale Afforestation for Mitigating Flooding

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    Barnes, M. S.; Bathurst, J. C.; Quinn, P. F.; Birkinshaw, S.

    2016-12-01

    After the 2013-14, and the more recent 2015-16, winter floods in the UK there were calls to 'forest the uplands' as a solution to reducing flood risk across the nation. However, the role of forests as a natural flood management practice remains highly controversial, due to a distinct lack of robust evidence into its effectiveness in reducing flood risk during extreme events. This project aims to improve the understanding of the impacts of upland afforestation on flood risk at the sub-catchment and full catchment scales. This will be achieved through an integrated fieldwork and modelling approach, with the use of a series of process based hydrological models to scale up and examine the effects forestry can have on flooding. Furthermore, there is a need to analyse the extent to which land management practices, catchment system engineering and the installation of runoff attenuation features (RAFs), such as engineered log jams, in headwater catchments can attenuate flood-wave movement, and potentially reduce downstream flood risk. Additionally, the proportion of a catchment or riparian reach that would need to be forested in order to achieve a significant impact on reducing downstream flooding will be defined. The consequential impacts of a corresponding reduction in agriculturally productive farmland and the potential decline of water resource availability will also be considered in order to safeguard the UK's food security and satisfy the global demand on water resources.

  18. Toward economic flood loss characterization via hazard simulation

    Science.gov (United States)

    Czajkowski, Jeffrey; Cunha, Luciana K.; Michel-Kerjan, Erwann; Smith, James A.

    2016-08-01

    Among all natural disasters, floods have historically been the primary cause of human and economic losses around the world. Improving flood risk management requires a multi-scale characterization of the hazard and associated losses—the flood loss footprint. But this is typically not available in a precise and timely manner, yet. To overcome this challenge, we propose a novel and multidisciplinary approach which relies on a computationally efficient hydrological model that simulates streamflow for scales ranging from small creeks to large rivers. We adopt a normalized index, the flood peak ratio (FPR), to characterize flood magnitude across multiple spatial scales. The simulated FPR is then shown to be a key statistical driver for associated economic flood losses represented by the number of insurance claims. Importantly, because it is based on a simulation procedure that utilizes generally readily available physically-based data, our flood simulation approach has the potential to be broadly utilized, even for ungauged and poorly gauged basins, thus providing the necessary information for public and private sector actors to effectively reduce flood losses and save lives.

  19. Simulated CONUS Flash Flood Climatologies from Distributed Hydrologic Models

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    Flamig, Z.; Gourley, J. J.; Vergara, H. J.; Kirstetter, P. E.; Hong, Y.

    2016-12-01

    This study will describe a CONUS flash flood climatology created over the period from 2002 through 2011. The MRMS reanalysis precipitation dataset was used as forcing into the Ensemble Framework For Flash Flood Forecasting (EF5). This high resolution 1-sq km 5-minute dataset is ideal for simulating flash floods with a distributed hydrologic model. EF5 features multiple water balance components including SAC-SMA, CREST, and a hydrophobic model all coupled with kinematic wave routing. The EF5/SAC-SMA and EF5/CREST water balance schemes were used for the creation of dual flash flood climatologies based on the differing water balance principles. For the period from 2002 through 2011 the daily maximum streamflow, unit streamflow, and time of peak streamflow was stored along with the minimum soil moisture. These variables are used to describe the states of the soils right before a flash flood event and the peak streamflow that was simulated during the flash flood event. The results will be shown, compared and contrasted. The resulting model simulations will be verified on basins less than 1,000-sq km with USGS gauges to ensure the distributed hydrologic models are reliable. The results will also be compared spatially to Storm Data flash flood event observations to judge the degree of agreement between the simulated climatologies and observations.

  20. Evaluation of various modelling approaches in flood routing simulation and flood area mapping

    Science.gov (United States)

    Papaioannou, George; Loukas, Athanasios; Vasiliades, Lampros; Aronica, Giuseppe

    2016-04-01

    An essential process of flood hazard analysis and mapping is the floodplain modelling. The selection of the modelling approach, especially, in complex riverine topographies such as urban and suburban areas, and ungauged watersheds may affect the accuracy of the outcomes in terms of flood depths and flood inundation area. In this study, a sensitivity analysis implemented using several hydraulic-hydrodynamic modelling approaches (1D, 2D, 1D/2D) and the effect of modelling approach on flood modelling and flood mapping was investigated. The digital terrain model (DTMs) used in this study was generated from Terrestrial Laser Scanning (TLS) point cloud data. The modelling approaches included 1-dimensional hydraulic-hydrodynamic models (1D), 2-dimensional hydraulic-hydrodynamic models (2D) and the coupled 1D/2D. The 1D hydraulic-hydrodynamic models used were: HECRAS, MIKE11, LISFLOOD, XPSTORM. The 2D hydraulic-hydrodynamic models used were: MIKE21, MIKE21FM, HECRAS (2D), XPSTORM, LISFLOOD and FLO2d. The coupled 1D/2D models employed were: HECRAS(1D/2D), MIKE11/MIKE21(MIKE FLOOD platform), MIKE11/MIKE21 FM(MIKE FLOOD platform), XPSTORM(1D/2D). The validation process of flood extent achieved with the use of 2x2 contingency tables between simulated and observed flooded area for an extreme historical flash flood event. The skill score Critical Success Index was used in the validation process. The modelling approaches have also been evaluated for simulation time and requested computing power. The methodology has been implemented in a suburban ungauged watershed of Xerias river at Volos-Greece. The results of the analysis indicate the necessity of sensitivity analysis application with the use of different hydraulic-hydrodynamic modelling approaches especially for areas with complex terrain.

  1. Real-time simulation of large-scale floods

    Science.gov (United States)

    Liu, Q.; Qin, Y.; Li, G. D.; Liu, Z.; Cheng, D. J.; Zhao, Y. H.

    2016-08-01

    According to the complex real-time water situation, the real-time simulation of large-scale floods is very important for flood prevention practice. Model robustness and running efficiency are two critical factors in successful real-time flood simulation. This paper proposed a robust, two-dimensional, shallow water model based on the unstructured Godunov- type finite volume method. A robust wet/dry front method is used to enhance the numerical stability. An adaptive method is proposed to improve the running efficiency. The proposed model is used for large-scale flood simulation on real topography. Results compared to those of MIKE21 show the strong performance of the proposed model.

  2. Penetration of n-hexadecane and water into wood under conditions simulating catastrophic floods

    Science.gov (United States)

    Ganna Baglayeva; Wayne S. Seames; Charles R. Frihart; Jane O' Dell; Evguenii I. Kozliak

    2017-01-01

    To simulate fuel oil spills occurring during catastrophic floods, short-term absorption of two chemicals, n-hexadecane (representative of semivolatile organic compounds in fuel oil) and water, into southern yellow pine was gravimetrically monitored as a function of time at ambient conditions. Different scenarios were run on the basis of (1) the...

  3. Conditional flood frequency and catchment state: a simulation approach

    Science.gov (United States)

    Brettschneider, Marco; Bourgin, François; Merz, Bruno; Andreassian, Vazken; Blaquiere, Simon

    2017-04-01

    Catchments have memory and the conditional flood frequency distribution for a time period ahead can be seen as non-stationary: it varies with the catchment state and climatic factors. From a risk management perspective, understanding the link of conditional flood frequency to catchment state is a key to anticipate potential periods of higher flood risk. Here, we adopt a simulation approach to explore the link between flood frequency obtained by continuous rainfall-runoff simulation and the initial state of the catchment. The simulation chain is based on i) a three state rainfall generator applied at the catchment scale, whose parameters are estimated for each month, and ii) the GR4J lumped rainfall-runoff model, whose parameters are calibrated with all available data. For each month, a large number of stochastic realizations of the continuous rainfall generator for the next 12 months are used as inputs for the GR4J model in order to obtain a large number of stochastic realizations for the next 12 months. This process is then repeated for 50 different initial states of the soil moisture reservoir of the GR4J model and for all the catchments. Thus, 50 different conditional flood frequency curves are obtained for the 50 different initial catchment states. We will present an analysis of the link between the catchment states, the period of the year and the strength of the conditioning of the flood frequency compared to the unconditional flood frequency. A large sample of diverse catchments in France will be used.

  4. Numerical Simulation of Flood Levels for Tropical Rivers

    International Nuclear Information System (INIS)

    Mohammed, Thamer Ahmed; Said, Salim; Bardaie, Mohd Zohadie; Basri, Shah Nor

    2011-01-01

    Flood forecasting is important for flood damage reduction. As a result of advances in the numerical methods and computer technologies, many mathematical models have been developed and used for hydraulic simulation of the flood. These simulations usually include the prediction of the flood width and depth along a watercourse. Results obtained from the application of hydraulic models will help engineers to take precautionary measures to minimize flood damage. Hydraulic models were used to simulate the flood can be classified into dynamic hydraulic models and static hydraulic models. The HEC-2 static hydraulic model was used to predict water surface profiles for Linggi river and Langat river in Malaysia. The model is based on the numerical solution of the one dimensional energy equation of the steady gradually varied flow using the iteration technique. Calibration and verification of the HEC-2 model were conducted using the recorded data for both rivers. After calibration, the model was applied to predict the water surface profiles for Q10, Q30, and Q100 along the watercourse of the Linggi river. The water surface profile for Q200 for Langat river was predicted. The predicted water surface profiles were found in agreement with the recorded water surface profiles. The value of the maximum computed absolute error in the predicted water surface profile was found to be 500 mm while the minimum absolute error was 20 mm only.

  5. Simulation of Columbia River Floods in the Hanford Reach

    Energy Technology Data Exchange (ETDEWEB)

    Waichler, Scott R.; Serkowski, John A.; Perkins, William A.; Richmond, Marshall C.

    2017-01-30

    Columbia River water elevations and flows in the Hanford Reach affect the environment and facilities along the shoreline, including movement of contaminants in groundwater, fish habitat, and infrastructure subject to flooding. This report describes the hydraulic simulation of hypothetical flood flows using the best available topographic and bathymetric data for the Hanford Reach and the Modular Aquatic Simulation System in 1 Dimension (MASS1) hydrodynamic model. The MASS1 model of the Hanford Reach was previously calibrated to field measurements of water surface elevations. The current model setup can be used for other studies of flow, water levels, and temperature in the Reach. The existing MASS1 channel geometry and roughness and other model configuration inputs for the Hanford Reach were used for this study, and previous calibration and validation results for the model are reprinted here for reference. The flood flows for this study were simulated by setting constant flow rates obtained from the U.S. Army Corps of Engineers (USACE) for the Columbia, Snake, and Yakima Rivers, and a constant water level at McNary Dam, and then running the model to steady state. The discharge levels simulated were all low-probability events; for example, a 100-year flood is one that would occur on average every 100 years, or put another way, in any given year there is a 1% chance that a discharge of that level or higher will occur. The simulated floods and their corresponding Columbia River discharges were 100-year (445,000 cfs), 500-year (520,000 cfs), and the USACE-defined Standard Project Flood (960,000 cfs). The resulting water levels from the steady-state floods can be viewed as “worst case” outcomes for the respective discharge levels. The MASS1 output for water surface elevations was converted to the North American Vertical Datum of 1988 and projected across the channel and land surface to enable mapping of the floodplain for each scenario. Floodplain maps show that for

  6. Flooding simulation of hilly pipeline commisionning process

    Energy Technology Data Exchange (ETDEWEB)

    Nan, Zhang [China National Oil and Gas Exploration and Development Corporation and China University of Petroleum, Beijing (China); Jing, Gong [China University of Petroleum, Beijing (China); Baoli, Zhu [China National Oil and Gas Exploration and Development Corporation, Beijing (China); Lin, Zheng [CNPC Oil and Gas Control Center, Beijing (China)

    2010-07-01

    When the construction of a pipeline has been completed, the pipeline flooding is done as part of the pipeline commissioning process. This method consists of filling the empty pipe with water or oil. In a pipeline situated in hilly terrain, air entrapped in the fluid causes problems with the flooding process and it is necessary to discharge the accumulated air to address this issue. The aim of this paper is to provide a model for predicting the location and volume of air pockets in a pipeline. This model was developed based on the fundamentals of mass balance and momentum transfer in multiphase flow and was then applied to a pipeline in China and compared with the SCADA data. Results showed a good match between the model's predictions of hydraulic movement and the real data from SCADA. The two flow model developed can predict hydraulic movement during pipeline flooding in a hilly area and thus it can be used to predict water front location and air pocket movement in the pipe.

  7. Computer simulation of chemical nucleation

    International Nuclear Information System (INIS)

    Turner, J.S.

    1979-01-01

    The problem of nucleation at chemical instabilities is investigated by means of microscopic computer simulation. The first-order transition of interest involves a new kind of nucleation arising from chemical transformations rather than physical forces. Here it is the chemical state of matter, and not matter itself, which is spatially localized to form the nucleus for transition between different chemical states. First, the concepts of chemical instability, nonequilibrium phase transition, and dissipative structure are reviewed briefly. Then recently developed methods of reactive molecular dynamics are used to study chemical nucleation in a simple model chemical reactions. Finally, the connection of these studies to nucleation and condensation processes involving physical and chemical interactions is explored. (orig.)

  8. Next Generation Surfactants for Improved Chemical Flooding Technology

    Energy Technology Data Exchange (ETDEWEB)

    Laura Wesson; Prapas Lohateeraparp; Jeffrey Harwell; Bor-Jier Shiau

    2012-05-31

    The principle objective of this project was to characterize and test current and next generation high performance surfactants for improved chemical flooding technology, focused on reservoirs in the Pennsylvanian-aged (Penn) sands. In order to meet this objective the characteristic curvatures (Cc) of twenty-eight anionic surfactants selected for evaluation for use in chemical flooding formulations were determined. The Cc values ranged from -6.90 to 2.55 with the majority having negative values. Crude oil samples from nine Penn sand reservoirs were analyzed for several properties pertinent to surfactant formulation for EOR application. These properties included equivalent alkane carbon numbers, total acid numbers, and viscosity. The brine samples from these same reservoirs were analyzed for several cations and for total dissolved solids. Surfactant formulations were successfully developed for eight reservoirs by the end of the project period. These formulations were comprised of a tertiary mixture of anionic surfactants. The identities of these surfactants are considered proprietary, but suffice to say the surfactants in each mixture were comprised of varying chemical structures. In addition to the successful development of surfactant formulations for EOR, there were also two successful single-well field tests conducted. There are many aspects that must be considered in the development and implementation of effective surfactant formulations. Taking into account these other aspects, there were four additional studies conducted during this project. These studies focused on the effect of the stability of surfactant formulations in the presence of polymers with an associated examination of polymer rheology, the effect of the presence of iron complexes in the brine on surfactant stability, the potential use of sacrificial agents in order to minimize the loss of surfactant to adsorption, and the effect of electrolytes on surfactant adsorption. In these last four studies

  9. Simulating floods : On the application of a 2D-hydraulic model for flood hazard and risk assessment

    NARCIS (Netherlands)

    Alkema, D.

    2007-01-01

    Over the last decades, river floods in Europe seem to occur more frequently and are causing more and more economic and emotional damage. Understanding the processes causing flooding and the development of simulation models to evaluate countermeasures to control that damage are important issues. This

  10. Numerical simulation of in-situ DNAPL remediation by alcohol flooding

    Energy Technology Data Exchange (ETDEWEB)

    Falta, R.W.; Brame, S.E. [Earth Science Department, Clemson, SC (United States)

    1995-03-01

    The removal of residual saturations of dense non-aqueous phase liquids (DNAPLs) from below the water table using alcohol solutions is under investigation as a potential remediation tool. Alcohol flooding reduces the interfacial tension (IFT) an density difference between the aqueous and DNAPL phases, and increases the chemical solubility in the aqueous phase. Depending on the partitioning behavior of the alcohol/chemical system, DNAPL can be removed by either mobilization as a separate phase or through enhanced dissolution. A new three dimensional multiphase numerical simulator has been developed for modeling this process. The code is based on the general TOUGH2 Integral Finite Difference formulation for multiphase transport with modifications to account for the complex behavior of an alcohol/water/DNAPL system. The alcohol flood code uses a special equation of state module for computing phase compositions, IFT, saturations, densities, viscosities, relative permeabilities, and capillary pressures during each time step. This equation of state is based on a numerical interpolation of experimentally determined ternary phase data. The code was designed so that it can readily be applied to other three-component, two-phase problems such as surfactant and solvent floods given appropriate ternary data. Comparisons of simulation results with column experiments performed at Clemson University were used to validate the simulator.

  11. Outburst Flood Simulation Model for Optimizing the Solo River Floods Emergency Response Activities

    Directory of Open Access Journals (Sweden)

    Yuli Priyana

    2016-08-01

    Full Text Available This study aims to develop flood inundation based on several flood level. The results of this study are: (a land use in the study area is divided into (1 urban area (the Business Area which includes regional administrative center, shopping area, and office area, (2 residential areas (single home region, the region multi- unit house (residence, settlement areas and apartments, (3 industrial estate (industrial estates are less dense and dense industrial area, (4 the surface area covered with vegetation (forest - thicket, meadow area, and the area of land productive rice fields and fields, (5 the area of open land and vacant land that is intended (the city park , cemetery and park area, and (6 transportation area and the pavement surface area (area train station and bus terminal region, (b the preparation of spatial database in this study in the form of data or data vector altitude of Digital Elevation Model (DEM. District of Jebres there are 56 points of elevation and District of Pasar Kliwon there are 48 points of elevation. Elevation of the study area ranged from 88,9 mpdal up to 127.65 mdpal and (c the higher the flood inundation scenarios impact on land use in the study area are also getting bigger. Most obvious impact under scenario 2 m area of 296 601 m , while the smallest impact under scenario 1 m with an area of 77 693 m 2 2 impact. Extensive simulation results based on the total impact amounts to 544 756 m.

  12. Simulation of flooding waves in vertical churn flow

    Energy Technology Data Exchange (ETDEWEB)

    Tekavčič, Matej, E-mail: matej.tekavcic@ijs.si; Končar, Boštjan; Kljenak, Ivo

    2016-04-01

    Highlights: • Flooding waves in air–water churn flow in a vertical pipe were studied. • Simulations using two-fluid model with interface sharpening were performed. • Calculated wave amplitudes agree with existing experimental data. • Contributions of force terms in the liquid momentum balance equation are presented. - Abstract: A transient simulation of flooding waves in the churn flow of air and water in a vertical pipe is performed by the means of two-fluid modelling approach with interface sharpening. The gas and liquid phases are considered immiscible and incompressible with no mass transfer between them. Inter-phase coupling of momentum is realized via interface drag force which is based on the interface area density and the relative velocity between the phases. Surface tension effects are modelled with the Continuum Surface Model. The flow is assumed isothermal. Turbulence is modelled for each phase separately using the two-equation eddy viscosity approach. Results are compared with the reported experimental data for churn flow regime in a vertical pipe (Wang et al., 2011a). Reynolds numbers of the gas flow are in the range from 6000 to 10,000, while the liquid mass flow rate upwards ranges from 25 to 32 g/s. Prediction of critical and maximum amplitudes of the flooding waves show good agreement with experimental values. Results for wave frequencies indicate significant deviations, which can be attributed to the choice of the liquid inlet model.

  13. Simulation of flooding waves in vertical churn flow

    International Nuclear Information System (INIS)

    Tekavčič, Matej; Končar, Boštjan; Kljenak, Ivo

    2016-01-01

    Highlights: • Flooding waves in air–water churn flow in a vertical pipe were studied. • Simulations using two-fluid model with interface sharpening were performed. • Calculated wave amplitudes agree with existing experimental data. • Contributions of force terms in the liquid momentum balance equation are presented. - Abstract: A transient simulation of flooding waves in the churn flow of air and water in a vertical pipe is performed by the means of two-fluid modelling approach with interface sharpening. The gas and liquid phases are considered immiscible and incompressible with no mass transfer between them. Inter-phase coupling of momentum is realized via interface drag force which is based on the interface area density and the relative velocity between the phases. Surface tension effects are modelled with the Continuum Surface Model. The flow is assumed isothermal. Turbulence is modelled for each phase separately using the two-equation eddy viscosity approach. Results are compared with the reported experimental data for churn flow regime in a vertical pipe (Wang et al., 2011a). Reynolds numbers of the gas flow are in the range from 6000 to 10,000, while the liquid mass flow rate upwards ranges from 25 to 32 g/s. Prediction of critical and maximum amplitudes of the flooding waves show good agreement with experimental values. Results for wave frequencies indicate significant deviations, which can be attributed to the choice of the liquid inlet model.

  14. Floods

    Science.gov (United States)

    Floods are common in the United States. Weather such as heavy rain, thunderstorms, hurricanes, or tsunamis can ... is breached, or when a dam breaks. Flash floods, which can develop quickly, often have a dangerous ...

  15. D Hydrodynamics Simulation of Amazonian Seasonally Flooded Wetlands

    Science.gov (United States)

    Pinel, S. S.; Bonnet, M. P.; Da Silva, J. S.; Cavalcanti, R., Sr.; Calmant, S.

    2016-12-01

    In the low Amazonian basin, interactions between floodplains and river channels are important in terms of water exchanges, sediments, or nutrients. These wetlands are considered as hotspot of biodiversity and are among the most productive in the world. However, they are threatened by climatic changes and anthropic activities. Hence, considering the implications for predicting inundation status of floodplain habitats, the strong interactions between water circulation, energy fluxes, biogeochemical and ecological processes, detailed analyses of flooding dynamics are useful and needed. Numerical inundation models offer means to study the interactions among different water sources. Modeling floods events in this area is challenging because flows respond to dynamic hydraulic controls coming from several water sources, complex geomorphology, and vegetation. In addition, due to the difficulty of access, there is a lack of existing hydrological data. In this context, the use of monitoring systems by remote sensing is a good option. In this study, we simulated filling and drainage processes of an Amazon floodplain (Janauacá Lake, AM, Brazil) over a 6 years period (2006-2012). Common approaches of flow modeling in the Amazon region consist of coupling a 1D simulation of the main channel flood wave to a 2D simulation of the inundation of the floodplain. Here, our approach differs as the floodplain is fully simulated. Model used is the 3D model IPH-ECO, which consists of a three-dimensional hydrodynamic module coupled with an ecosystem module. The IPH-ECO hydrodynamic module solves the Reynolds-Averaged Navier-Stokes equations using a semi-implicit discretization. After having calibrated the simulation against roughness coefficients, we validated the model in terms of vertical accuracy against water levels (daily in situ and altimetrics data), in terms of flood extent against inundation maps deduced from available remote-sensed product imagery (ALOS-1/PALSAR.), and in terms

  16. Evaluation and Optimization Study on a Hybrid EOR Technique Named as Chemical-Alternating-Foam Floods

    Directory of Open Access Journals (Sweden)

    Xu Xingguang

    2017-01-01

    Full Text Available This work presents a novel Enhanced Oil Recovery (EOR method called Chemical-Alternating-Foam (CAF floods in order to overcome the drawbacks of the conventional foam flooding such as insufficient amount of in-situ foams, severe foam collapse and surfactant retention. The first part of this research focused on the comparison of conventional foam floods and CAF floods both of which had the same amount of gas and chemicals. It showed that: (1 CAF floods possessed the much greater Residual Resistance Factor (RRF at elevated temperature; (2 the accumulative oil recovery of the CAF floods was 10%-15% higher than that of the conventional foam flooding. After 1.8 Pore Volume (PV injection, the oil recovery reached the plateau for both methods; (3 CAF floods yielded the most amount of incremental oil at the 98% water cut (water content in the effluent, while the continuous foam floods achieved the best performance at 60% water cut. The second part of this work determined the optimal foam quality (gas/liquid ratio or the volume percent gas within foam, chemical/foam slug size ratio, cycle number and injection sequence for the CAF floods. It was found that the CAF was endowed with the peak performance if the foam quality, chemical/foam slug size ratio, cycle number was fixed at 80%, 1:1 and 3 respectively with the chemical slug being introduced ahead of the foam slug. Through systematic and thorough research, the proposed hybrid process has been approved to be a viable and effective method significantly strengthening the conventional foam flooding.

  17. Quasi-continuous stochastic simulation framework for flood modelling

    Science.gov (United States)

    Moustakis, Yiannis; Kossieris, Panagiotis; Tsoukalas, Ioannis; Efstratiadis, Andreas

    2017-04-01

    Typically, flood modelling in the context of everyday engineering practices is addressed through event-based deterministic tools, e.g., the well-known SCS-CN method. A major shortcoming of such approaches is the ignorance of uncertainty, which is associated with the variability of soil moisture conditions and the variability of rainfall during the storm event.In event-based modeling, the sole expression of uncertainty is the return period of the design storm, which is assumed to represent the acceptable risk of all output quantities (flood volume, peak discharge, etc.). On the other hand, the varying antecedent soil moisture conditions across the basin are represented by means of scenarios (e.g., the three AMC types by SCS),while the temporal distribution of rainfall is represented through standard deterministic patterns (e.g., the alternative blocks method). In order to address these major inconsistencies,simultaneously preserving the simplicity and parsimony of the SCS-CN method, we have developed a quasi-continuous stochastic simulation approach, comprising the following steps: (1) generation of synthetic daily rainfall time series; (2) update of potential maximum soil moisture retention, on the basis of accumulated five-day rainfall; (3) estimation of daily runoff through the SCS-CN formula, using as inputs the daily rainfall and the updated value of soil moisture retention;(4) selection of extreme events and application of the standard SCS-CN procedure for each specific event, on the basis of synthetic rainfall.This scheme requires the use of two stochastic modelling components, namely the CastaliaR model, for the generation of synthetic daily data, and the HyetosMinute model, for the disaggregation of daily rainfall to finer temporal scales. Outcomes of this approach are a large number of synthetic flood events, allowing for expressing the design variables in statistical terms and thus properly evaluating the flood risk.

  18. HYDRAULIC SIMULATION OF FLASH FLOOD AS TRIGGERED BY NATURAL DAM BREAK

    Directory of Open Access Journals (Sweden)

    Yanuar Tri Kurniawan

    2015-05-01

    Calibration model result showed that the height of natural dam significantly influence changes of water surface elevation at control point. Tracing of flood result in reconstruction of January 2006 flood showed the conformity with the real event. It was observed from the arrival time of flood at certain location. From obtained results, it can be concluded that simulation modeling gave the acceptable results.

  19. Fast Simulation of Large-Scale Floods Based on GPU Parallel Computing

    OpenAIRE

    Qiang Liu; Yi Qin; Guodong Li

    2018-01-01

    Computing speed is a significant issue of large-scale flood simulations for real-time response to disaster prevention and mitigation. Even today, most of the large-scale flood simulations are generally run on supercomputers due to the massive amounts of data and computations necessary. In this work, a two-dimensional shallow water model based on an unstructured Godunov-type finite volume scheme was proposed for flood simulation. To realize a fast simulation of large-scale floods on a personal...

  20. Simulation of the 2008 Iowa Flood using HiResFlood-UCI Model with Remote Sensing Data

    Science.gov (United States)

    Nguyen, P.; Thorstensen, A. R.; Hsu, K. L.; AghaKouchak, A.; Sanders, B. F.; Sorooshian, S.

    2014-12-01

    Precipitation is a key forcing variable in hydrological modeling of floods and being able to accurately observe precipitation is extremely important in mitigating flood impacts. The Global Precipitation Measurement (GPM) Mission, launched in Feb 2014 also presents an opportunity for high-quality real-time precipitation data and improved flood warnings. The PERSIANN-CCS developed by the scientists at the Center for Hydrometeorology and Remote Sensing (CHRS) at the University of California, Irvine is one algorithm integrated in the IMERG of PMM/GPM. In this research, the high resolution coupled hydrologic/hydraulic model named HiResFlood-UCI was applied to simulate the historical 2008 Iowa flood in the Cedar River basin. HiResFlood-UCI is a coupling of the NWS's distributed hydrologic model HL-RDHM and the hydraulic model BreZo developed by the Computational Hydraulics Group at the University of California, Irvine. The model was forced with the real-time PERSIANN-CCS and NEXRAD Stage 2 precipitation data. Simulations were evaluated based on 2 criteria: hydrographs within the basin and the areal extent of the flooding. Streamflow hydrographs were compared at 7 USGS gages, and simulated inundation maps were evaluated using USDA AWiFS 56m resolution areal flood imagery. The results show reasonable simulated hydrographs compared to USGS streamflow observations when simulating with PERSIANN-CCS and NEXRAD Stage 2 as forcing inputs. The simulation driven by NEXRAD Stage 2 slightly outperforms the PERSIANN-CCS simulation as the latter marginally underestimated the observed hydrographs. The simulation in both cases shows a good agreement (0.672 and 0.727 CSI for Stage 2 and PERSIANN-CCS simulations respectively) with the AWiFS image over the most impacted area in the Cedar Rapids region. Since the PERSIANN-CCS simulation slightly underestimated the discharge, the probability of detection (0.925) is lower than that of the Stage 2 simulation (0.965). As a trade-off, the false

  1. Fuel rod simulator effects in flooding experiments single rod tests

    International Nuclear Information System (INIS)

    Nishida, M.

    1984-09-01

    The influence of a gas filled gap between cladding and pellet on the quenching behavior of a PWR fuel rod during the reflood phase of a LOCA has been investigated. Flooding experiments were conducted with a short length electrically heated single fuel rod simulator surrounded by glass housing. The gap of 0.05 mm width between the Zircaloy cladding and the internal Al 2 O 3 pellets of the rod was filled either wit helium or with argon to vary the radial heat resistance across the gap. This report presents some typical data and an evaluation of the reflood behavior of the fuel rod simulator used. The results show that the quench front propagates faster for increasing heat resistance in the gap between cladding and heat source of the rod. (orig.) [de

  2. Sacrificial adsorbate for surfactants utilized in chemical floods of enhanced oil recovery operations

    Science.gov (United States)

    Johnson, Jr., James S.; Westmoreland, Clyde G.

    1982-01-01

    The present invention is directed to a sacrificial or competitive adsorbate for surfactants contained in chemical flooding emulsions for enhanced oil recovery operations. The adsorbate to be utilized in the method of the present invention is a caustic effluent from the bleach stage or the weak black liquor from the digesters and pulp washers of the kraft pulping process. This effluent or weak black liquor is injected into an oil-bearing subterranean earth formation prior to or concurrent with the chemical flood emulsion and is adsorbed on the active mineral surfaces of the formation matrix so as to effectively reduce adsorption of surfactant in the chemical flood. Alternatively, the effluent or liquor can be injected into the subterranean earth formation subsequent to a chemical flood to displace the surfactant from the mineral surfaces for the recovery thereof.

  3. Automatic domain updating technique for improving computational efficiency of 2-D flood-inundation simulation

    Science.gov (United States)

    Tanaka, T.; Tachikawa, Y.; Ichikawa, Y.; Yorozu, K.

    2017-12-01

    Flood is one of the most hazardous disasters and causes serious damage to people and property around the world. To prevent/mitigate flood damage through early warning system and/or river management planning, numerical modelling of flood-inundation processes is essential. In a literature, flood-inundation models have been extensively developed and improved to achieve flood flow simulation with complex topography at high resolution. With increasing demands on flood-inundation modelling, its computational burden is now one of the key issues. Improvements of computational efficiency of full shallow water equations are made from various perspectives such as approximations of the momentum equations, parallelization technique, and coarsening approaches. To support these techniques and more improve the computational efficiency of flood-inundation simulations, this study proposes an Automatic Domain Updating (ADU) method of 2-D flood-inundation simulation. The ADU method traces the wet and dry interface and automatically updates the simulation domain in response to the progress and recession of flood propagation. The updating algorithm is as follow: first, to register the simulation cells potentially flooded at initial stage (such as floodplains nearby river channels), and then if a registered cell is flooded, to register its surrounding cells. The time for this additional process is saved by checking only cells at wet and dry interface. The computation time is reduced by skipping the processing time of non-flooded area. This algorithm is easily applied to any types of 2-D flood inundation models. The proposed ADU method is implemented to 2-D local inertial equations for the Yodo River basin, Japan. Case studies for two flood events show that the simulation is finished within two to 10 times smaller time showing the same result as that without the ADU method.

  4. Virtual reality in urban water management: communicating urban flooding with particle-based CFD simulations.

    Science.gov (United States)

    Winkler, Daniel; Zischg, Jonatan; Rauch, Wolfgang

    2018-01-01

    For communicating urban flood risk to authorities and the public, a realistic three-dimensional visual display is frequently more suitable than detailed flood maps. Virtual reality could also serve to plan short-term flooding interventions. We introduce here an alternative approach for simulating three-dimensional flooding dynamics in large- and small-scale urban scenes by reaching out to computer graphics. This approach, denoted 'particle in cell', is a particle-based CFD method that is used to predict physically plausible results instead of accurate flow dynamics. We exemplify the approach for the real flooding event in July 2016 in Innsbruck.

  5. Determination of adsorption parameters in numerical simulation for polymer flooding

    Science.gov (United States)

    Bao, Pengyu; Li, Aifen; Luo, Shuai; Dang, Xu

    2018-02-01

    A study on the determination of adsorption parameters for polymer flooding simulation was carried out. The study mainly includes polymer static adsorption and dynamic adsorption. The law of adsorption amount changing with polymer concentration and core permeability was presented, and the one-dimensional numerical model of CMG was established under the support of a large number of experimental data. The adsorption laws of adsorption experiments were applied to the one-dimensional numerical model to compare the influence of two adsorption laws on the historical matching results. The results show that the static adsorption and dynamic adsorption abide by different rules, and differ greatly in adsorption. If the static adsorption results were directly applied to the numerical model, the difficulty of the historical matching will increase. Therefore, dynamic adsorption tests in the porous medium are necessary before the process of parameter adjustment in order to achieve the ideal history matching result.

  6. Predicting the microbial exposure risks in urban floods using GIS, building simulation, and microbial models.

    Science.gov (United States)

    Taylor, Jonathon; Biddulph, Phillip; Davies, Michael; Lai, Ka man

    2013-01-01

    London is expected to experience more frequent periods of intense rainfall and tidal surges, leading to an increase in the risk of flooding. Damp and flooded dwellings can support microbial growth, including mould, bacteria, and protozoa, as well as persistence of flood-borne microorganisms. The amount of time flooded dwellings remain damp will depend on the duration and height of the flood, the contents of the flood water, the drying conditions, and the building construction, leading to particular properties and property types being prone to lingering damp and human pathogen growth or persistence. The impact of flooding on buildings can be simulated using Heat Air and Moisture (HAM) models of varying complexity in order to understand how water can be absorbed and dry out of the building structure. This paper describes the simulation of the drying of building archetypes representative of the English building stock using the EnergyPlus based tool 'UCL-HAMT' in order to determine the drying rates of different abandoned structures flooded to different heights and during different seasons. The results are mapped out using GIS in order to estimate the spatial risk across London in terms of comparative flood vulnerability, as well as for specific flood events. Areas of South and East London were found to be particularly vulnerable to long-term microbial exposure following major flood events. Copyright © 2012 Elsevier Ltd. All rights reserved.

  7. Modeling and simulation of surfactant-polymer flooding using a new hybrid method

    Science.gov (United States)

    Daripa, Prabir; Dutta, Sourav

    2017-04-01

    Chemical enhanced oil recovery by surfactant-polymer (SP) flooding has been studied in two space dimensions. A new global pressure for incompressible, immiscible, multicomponent two-phase porous media flow has been derived in the context of SP flooding. This has been used to formulate a system of flow equations that incorporates the effect of capillary pressure and also the effect of polymer and surfactant on viscosity, interfacial tension and relative permeabilities of the two phases. The coupled system of equations for pressure, water saturation, polymer concentration and surfactant concentration has been solved using a new hybrid method in which the elliptic global pressure equation is solved using a discontinuous finite element method and the transport equations for water saturation and concentrations of the components are solved by a Modified Method Of Characteristics (MMOC) in the multicomponent setting. Numerical simulations have been performed to validate the method, both qualitatively and quantitatively, and to evaluate the relative performance of the various flooding schemes for several different heterogeneous reservoirs.

  8. SEFLEX - fuel rod simulator effects in flooding experiments. Pt. 2

    International Nuclear Information System (INIS)

    Ihle, P.; Rust, K.

    1986-03-01

    This report presents typical data and a limited heat transfer analysis from unblocked bundle reflood tests of an experimental thermal-hydraulic program. Full-length bundles of 5 x 5 fuel rod simulators having a gas-filled gap between the Zy cladding and the alumina pellets were tested in the test rig designed for the earlier Flooding Experiments with Blocked Arrays (FEBA-program). The 5 x 5 FEBA rod bundle tests were performed with gapless heater rods. These rods have a close thermal contact between the stainless steel cladding and the electric insulation material. A comparison of the SEFLEX data with the reference data of FEBA obtained under identical initial and reflood conditions shows the influence of different fuel rod simulators on the thermal-hydraulic behavior during forced feed bottom reflooding of unblocked and blocked arrays. Compared to bundles of gapless rods, bundles of rods with Zy claddings and a gas filled gap between claddings and pellets, which more closely represent the features that exist in an actual fuel rod geometry, produced higher quench front velocities, enhanced removal of stored heat in the rods, reduced peak cladding temperatures, increased grid spacer effects and absolutely unproblematic coolability of 90 percent blockages with bypass. The data offer the opportunity for further validation of computer codes to make realistic predictions of safety margins during a LOCA in a PWR. (orig./HP) [de

  9. SEFLEX fuel rod simulator effects in flooding experiments. Pt. 3

    International Nuclear Information System (INIS)

    Ihle, P.; Rust, K.

    1986-03-01

    This report presents typical data and a limited heat transfer analysis from blocked bundle reflood tests of an experimental thermal-hydraulic program. Full-length bundles of 5x5 fuel rod simulators having a gas-filled gap between the Zy cladding and the alumina pellets were tested in the test rig designed for the earlier Flooding Experiments with Blocked Arrays (FEBA-program). The 5x5 FEBA rod bundle tests were performed with gapless heater rods. These rods have a close thermal contact between the stainless steel cladding and the electric insulation material. A comparison of the SEFLEX data with the reference data of FEBA obtained under identical initial and reflood conditions shows the influence of different fuel rod simulators on the thermal-hydraulic behavior during forced feed bottom reflooding of unblocked and blocked arrays. Compared to bundles of gapless rods, bundles of rods with Zy claddings and a gas filled gap between claddings and pellets, which more closely represent the features that exist in an actual fuel rod geometry, produced higher quench front velocities, enhanced removal of stored heat in the rods, reduced peak cladding temperatures, increased grid spacer effects and absolutely unproblematic coolability of 90 percent blockages with bypass. The data offer the opportunity for further validation of computer codes to make realistic predictions of safety margins during a LOCA in a PWR. (orig./HP) [de

  10. Discrete-Event Simulation in Chemical Engineering.

    Science.gov (United States)

    Schultheisz, Daniel; Sommerfeld, Jude T.

    1988-01-01

    Gives examples, descriptions, and uses for various types of simulation systems, including the Flowtran, Process, Aspen Plus, Design II, GPSS, Simula, and Simscript. Explains similarities in simulators, terminology, and a batch chemical process. Tables and diagrams are included. (RT)

  11. Prediction of Flood Warning in Taiwan Using Nonlinear SVM with Simulated Annealing Algorithm

    Science.gov (United States)

    Lee, C.

    2013-12-01

    The issue of the floods is important in Taiwan. It is because the narrow and high topography of the island make lots of rivers steep in Taiwan. The tropical depression likes typhoon always causes rivers to flood. Prediction of river flow under the extreme rainfall circumstances is important for government to announce the warning of flood. Every time typhoon passed through Taiwan, there were always floods along some rivers. The warning is classified to three levels according to the warning water levels in Taiwan. The propose of this study is to predict the level of floods warning from the information of precipitation, rainfall duration and slope of riverbed. To classify the level of floods warning by the above-mentioned information and modeling the problems, a machine learning model, nonlinear Support vector machine (SVM), is formulated to classify the level of floods warning. In addition, simulated annealing (SA), a probabilistic heuristic algorithm, is used to determine the optimal parameter of the SVM model. A case study of flooding-trend rivers of different gradients in Taiwan is conducted. The contribution of this SVM model with simulated annealing is capable of making efficient announcement for flood warning and keeping the danger of flood from residents along the rivers.

  12. Flash Floods Simulation using a Physical-Based Hydrological Model at Different Hydroclimatic Regions

    Science.gov (United States)

    Saber, Mohamed; Kamil Yilmaz, Koray

    2016-04-01

    Currently, flash floods are seriously increasing and affecting many regions over the world. Therefore, this study will focus on two case studies; Wadi Abu Subeira, Egypt as arid environment, and Karpuz basin, Turkey as Mediterranean environment. The main objective of this work is to simulate flash floods at both catchments considering the hydrometeorological differences between them which in turn effect their flash flood behaviors. An integrated methodology incorporating Hydrological River Basin Environmental Assessment Model (Hydro-BEAM) and remote sensing observations was devised. Global Satellite Mapping of Precipitation (GSMAP) were compared with the rain gauge network at the target basins to estimate the bias in an effort to further use it effectively in simulation of flash floods. Based on the preliminary results of flash floods simulation on both basins, we found that runoff behaviors of flash floods are different due to the impacts of climatology, hydrological and topographical conditions. Also, the simulated surface runoff hydrographs are reasonably coincide with the simulated ones. Consequently, some mitigation strategies relying on this study could be introduced to help in reducing the flash floods disasters at different climate regions. This comparison of different climatic basins would be a reasonable implication for the potential impact of climate change on the flash floods frequencies and occurrences.

  13. Flood Scenario Simulation and Disaster Estimation of Ba-Ma Creek Watershed in Nantou County, Taiwan

    Science.gov (United States)

    Peng, S. H.; Hsu, Y. K.

    2018-04-01

    The present study proposed several scenario simulations of flood disaster according to the historical flood event and planning requirement in Ba-Ma Creek Watershed located in Nantou County, Taiwan. The simulations were made using the FLO-2D model, a numerical model which can compute the velocity and depth of flood on a two-dimensional terrain. Meanwhile, the calculated data were utilized to estimate the possible damage incurred by the flood disaster. The results thus obtained can serve as references for disaster prevention. Moreover, the simulated results could be employed for flood disaster estimation using the method suggested by the Water Resources Agency of Taiwan. Finally, the conclusions and perspectives are presented.

  14. Real-time Monitoring and Simulating of Urban Flood, a Case Study in Guangzhou

    Science.gov (United States)

    Huang, H.; Wang, X.; Zhang, S.; Liu, Y.

    2014-12-01

    In recent years urban flood frequently occurred and seriously impacted city's normal operation, particular on transportation. The increase of urban flood could be attributed to many factors, such as the increase of impervious land surface and extreme precipitation, the decrease of surface storage capacity, poor maintenance of drainage utilities, and so on. In order to provide accurate and leading prediction on urban flooding, this study acquires precise urban topographic data via air-borne Lidar system, collects detailed underground drainage pipes, and installs in-situ monitoring networks on precipitation, water level, video record and traffic speed in the downtown area of Panyu District, Guangzhou, China. Based on the above data acquired, a urban flood model with EPA SWMM5 is established to simulate the flooding and inundation processes in the study area of 20 km2. The model is driven by the real-time precipitation data and calibrated by the water level data, which are converted to flooding volume with precise topographic data. After calibration, the model could be employed to conduct sensitivity analysis for investigating primary factors of urban flooding, and to simulate the flooding processes in different scenarios, which are beneficial to assessment of flooding risk and drainage capacity. This model is expected to provide real-time forecasting in emergency management.

  15. The Chemical Product Simulator - ProCAPD

    DEFF Research Database (Denmark)

    Kalakul, Sawitree; Eden, Mario Richard; Gani, Rafiqul

    2017-01-01

    In this paper, a chemical product design simulator called ProCAPD is presented. ProCAPD works in the same way as a chemical process simulator, that is, it helps to verify product design decisions and generates information that can be used to make design decisions. Like the contents of the process...... simulator, the product simulator needs a database of chemicals and properties, a library of models, numerical routines to solve mathematical problems as well as various calculation options. Also, like the process simulator, the product simulator comes with a user-interface to describe the problems.......); calculation tools (product attributes, blend compositions, environmental impact, etc.); design templates (single molecules, blends, formulations, emulsions, devices); and, design-simulation-analysis functions. All these capabilities are based on the prototype tool developed by Kalakul et al. (2017...

  16. 3D Simulation of External Flooding Events for the RISMC Pathway

    International Nuclear Information System (INIS)

    Prescott, Steven; Mandelli, Diego; Sampath, Ramprasad; Smith, Curtis; Lin, Linyu

    2015-01-01

    Incorporating 3D simulations as part of the Risk-Informed Safety Margins Characterization (RISMIC) Toolkit allows analysts to obtain a more complete picture of complex system behavior for events including external plant hazards. External events such as flooding have become more important recently – however these can be analyzed with existing and validated simulated physics toolkits. In this report, we describe these approaches specific to flooding-based analysis using an approach called Smoothed Particle Hydrodynamics. The theory, validation, and example applications of the 3D flooding simulation are described. Integrating these 3D simulation methods into computational risk analysis provides a spatial/visual aspect to the design, improves the realism of results, and can prove visual understanding to validate the analysis of flooding.

  17. 3D Simulation of External Flooding Events for the RISMC Pathway

    Energy Technology Data Exchange (ETDEWEB)

    Prescott, Steven [Idaho National Lab. (INL), Idaho Falls, ID (United States); Mandelli, Diego [Idaho National Lab. (INL), Idaho Falls, ID (United States); Sampath, Ramprasad [Idaho National Lab. (INL), Idaho Falls, ID (United States); Smith, Curtis [Idaho National Lab. (INL), Idaho Falls, ID (United States); Lin, Linyu [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-09-01

    Incorporating 3D simulations as part of the Risk-Informed Safety Margins Characterization (RISMIC) Toolkit allows analysts to obtain a more complete picture of complex system behavior for events including external plant hazards. External events such as flooding have become more important recently – however these can be analyzed with existing and validated simulated physics toolkits. In this report, we describe these approaches specific to flooding-based analysis using an approach called Smoothed Particle Hydrodynamics. The theory, validation, and example applications of the 3D flooding simulation are described. Integrating these 3D simulation methods into computational risk analysis provides a spatial/visual aspect to the design, improves the realism of results, and can prove visual understanding to validate the analysis of flooding.

  18. Combined effects of soil moisture and carbaryl to earthworms and plants: Simulation of flood and drought scenarios

    Energy Technology Data Exchange (ETDEWEB)

    Lima, Maria P.R.; Soares, Amadeu M.V.M. [Department of Biology and CESAM, University of Aveiro, 3810-193 Aveiro (Portugal); Loureiro, Susana, E-mail: sloureiro@ua.pt [Department of Biology and CESAM, University of Aveiro, 3810-193 Aveiro (Portugal)

    2011-07-15

    Studying tolerance limits in organisms exposed to climatic variations is key to understanding effects on behaviour and physiology. The presence of pollutants may influence these tolerance limits, by altering the toxicity or bioavailability of the chemical. In this work, the plant species Brassica rapa and Triticum aestivum and the earthworm Eisenia andrei were exposed to different levels of soil moisture and carbaryl, as natural and chemical stressors, respectively. Both stress factors were tested individually, as well as in combination. Acute and chronic tests were performed and results were discussed in order to evaluate the responses of organisms to the combination of stressors. When possible, data was fitted to widely employed models for describing chemical mixture responses. Synergistic interactions were observed in earthworms exposed to carbaryl and drought conditions, while antagonistic interactions were more representative for plants, especially in relation to biomass loss under flood-simulation conditions. - Highlights: > Climate variations may cause changes on chemicals' toxicity or bioavailability. > Earthworms and plants are exposed simultaneously to carbaryl and flood and drought conditions. > The IA model and possible deviations were used to evaluate combination exposures. > Synergism was observed for earthworms exposed to carbaryl and drought conditions. > Antagonistic interactions were observed for plants, in flood conditions and carbaryl. - Soil moisture can play an important role in carbaryl toxicity towards plants and earthworms.

  19. Combined effects of soil moisture and carbaryl to earthworms and plants: Simulation of flood and drought scenarios

    International Nuclear Information System (INIS)

    Lima, Maria P.R.; Soares, Amadeu M.V.M.; Loureiro, Susana

    2011-01-01

    Studying tolerance limits in organisms exposed to climatic variations is key to understanding effects on behaviour and physiology. The presence of pollutants may influence these tolerance limits, by altering the toxicity or bioavailability of the chemical. In this work, the plant species Brassica rapa and Triticum aestivum and the earthworm Eisenia andrei were exposed to different levels of soil moisture and carbaryl, as natural and chemical stressors, respectively. Both stress factors were tested individually, as well as in combination. Acute and chronic tests were performed and results were discussed in order to evaluate the responses of organisms to the combination of stressors. When possible, data was fitted to widely employed models for describing chemical mixture responses. Synergistic interactions were observed in earthworms exposed to carbaryl and drought conditions, while antagonistic interactions were more representative for plants, especially in relation to biomass loss under flood-simulation conditions. - Highlights: → Climate variations may cause changes on chemicals' toxicity or bioavailability. → Earthworms and plants are exposed simultaneously to carbaryl and flood and drought conditions. → The IA model and possible deviations were used to evaluate combination exposures. → Synergism was observed for earthworms exposed to carbaryl and drought conditions. → Antagonistic interactions were observed for plants, in flood conditions and carbaryl. - Soil moisture can play an important role in carbaryl toxicity towards plants and earthworms.

  20. Analysis and Comparison on the Flood Simulation in Typical Hilly & Semi-mountainous Region

    Science.gov (United States)

    Luan, Qinghua; Wang, Dong; Zhang, Xiang; Liu, Jiahong; Fu, Xiaoran; Zhang, Kun; Ma, Jun

    2017-12-01

    Water-logging and flood are both serious in hilly and semi-mountainous cities of China, but the related research is rare. Lincheng Economic Development Zone (EDZ) in Hebei Province as the typical city was selected and storm water management model (SWMM) was applied for flood simulation in this study. The regional model was constructed through calibrating and verifying the runoff coefficient of different flood processes. Different designed runoff processes in five-year, ten-year and twenty-year return periods in basic scenario and in the low impact development (LID) scenario, respectively, were simulated and compared. The result shows that: LID measures have effect on peak reduction in the study area, but the effectiveness is not significant; the effectiveness of lagging peak time is poor. These simulation results provide decision support for the rational construction of LID in the study area, and provide the references for regional rain flood management.

  1. A fast method for optical simulation of flood maps of light-sharing detector modules

    International Nuclear Information System (INIS)

    Shi, Han; Du, Dong; Xu, JianFeng; Moses, William W.; Peng, Qiyu

    2015-01-01

    Optical simulation of the detector module level is highly desired for Position Emission Tomography (PET) system design. Commonly used simulation toolkits such as GATE are not efficient in the optical simulation of detector modules with complicated light-sharing configurations, where a vast amount of photons need to be tracked. We present a fast approach based on a simplified specular reflectance model and a structured light-tracking algorithm to speed up the photon tracking in detector modules constructed with polished finish and specular reflector materials. We simulated conventional block detector designs with different slotted light guide patterns using the new approach and compared the outcomes with those from GATE simulations. While the two approaches generated comparable flood maps, the new approach was more than 200–600 times faster. The new approach has also been validated by constructing a prototype detector and comparing the simulated flood map with the experimental flood map. The experimental flood map has nearly uniformly distributed spots similar to those in the simulated flood map. In conclusion, the new approach provides a fast and reliable simulation tool for assisting in the development of light-sharing-based detector modules with a polished surface finish and using specular reflector materials.

  2. molecular dynamics simulations and quantum chemical calculations

    African Journals Online (AJOL)

    ABSTRACT. The molecular dynamic (MD) simulation and quantum chemical calculations for the adsorption of [2-(2-Henicos-10- .... electronic properties of molecule clusters, surfaces and ... The local reactivity was analyzed by determining the.

  3. Large-scale derived flood frequency analysis based on continuous simulation

    Science.gov (United States)

    Dung Nguyen, Viet; Hundecha, Yeshewatesfa; Guse, Björn; Vorogushyn, Sergiy; Merz, Bruno

    2016-04-01

    There is an increasing need for spatially consistent flood risk assessments at the regional scale (several 100.000 km2), in particular in the insurance industry and for national risk reduction strategies. However, most large-scale flood risk assessments are composed of smaller-scale assessments and show spatial inconsistencies. To overcome this deficit, a large-scale flood model composed of a weather generator and catchments models was developed reflecting the spatially inherent heterogeneity. The weather generator is a multisite and multivariate stochastic model capable of generating synthetic meteorological fields (precipitation, temperature, etc.) at daily resolution for the regional scale. These fields respect the observed autocorrelation, spatial correlation and co-variance between the variables. They are used as input into catchment models. A long-term simulation of this combined system enables to derive very long discharge series at many catchment locations serving as a basic for spatially consistent flood risk estimates at the regional scale. This combined model was set up and validated for major river catchments in Germany. The weather generator was trained by 53-year observation data at 528 stations covering not only the complete Germany but also parts of France, Switzerland, Czech Republic and Australia with the aggregated spatial scale of 443,931 km2. 10.000 years of daily meteorological fields for the study area were generated. Likewise, rainfall-runoff simulations with SWIM were performed for the entire Elbe, Rhine, Weser, Donau and Ems catchments. The validation results illustrate a good performance of the combined system, as the simulated flood magnitudes and frequencies agree well with the observed flood data. Based on continuous simulation this model chain is then used to estimate flood quantiles for the whole Germany including upstream headwater catchments in neighbouring countries. This continuous large scale approach overcomes the several

  4. Hydrologic Simulation in Mediterranean flood prone Watersheds using high-resolution quality data

    Science.gov (United States)

    Eirini Vozinaki, Anthi; Alexakis, Dimitrios; Pappa, Polixeni; Tsanis, Ioannis

    2015-04-01

    Flooding is a significant threat causing lots of inconveniencies in several societies, worldwide. The fact that the climatic change is already happening, increases the flooding risk, which is no longer a substantial menace to several societies and their economies. The improvement of spatial-resolution and accuracy of the topography and land use data due to remote sensing techniques could provide integrated flood inundation simulations. In this work hydrological analysis of several historic flood events in Mediterranean flood prone watersheds (island of Crete/Greece) takes place. Satellite images of high resolution are elaborated. A very high resolution (VHR) digital elevation model (DEM) is produced from a GeoEye-1 0.5-m-resolution satellite stereo pair and is used for floodplain management and mapping applications such as watershed delineation and river cross-section extraction. Sophisticated classification algorithms are implemented for improving Land Use/ Land Cover maps accuracy. In addition, soil maps are updated with means of Radar satellite images. The above high-resolution data are innovatively used to simulate and validate several historical flood events in Mediterranean watersheds, which have experienced severe flooding in the past. The hydrologic/hydraulic models used for flood inundation simulation in this work are HEC-HMS and HEC-RAS. The Natural Resource Conservation Service (NRCS) curve number (CN) approach is implemented to account for the effect of LULC and soil on the hydrologic response of the catchment. The use of high resolution data provides detailed validation results and results of high precision, accordingly. Furthermore, the meteorological forecasting data, which are also combined to the simulation model results, manage the development of an integrated flood forecasting and early warning system tool, which is capable of confronting or even preventing this imminent risk. The research reported in this paper was fully supported by the

  5. CHEMICAL EVOLUTION LIBRARY FOR GALAXY FORMATION SIMULATION

    International Nuclear Information System (INIS)

    Saitoh, Takayuki R.

    2017-01-01

    We have developed a software library for chemical evolution simulations of galaxy formation under the simple stellar population (SSP) approximation. In this library, all of the necessary components concerning chemical evolution, such as initial mass functions, stellar lifetimes, yields from Type II and Type Ia supernovae, asymptotic giant branch stars, and neutron star mergers, are compiled from the literature. Various models are pre-implemented in this library so that users can choose their favorite combination of models. Subroutines of this library return released energy and masses of individual elements depending on a given event type. Since the redistribution manner of these quantities depends on the implementation of users’ simulation codes, this library leaves it up to the simulation code. As demonstrations, we carry out both one-zone, closed-box simulations and 3D simulations of a collapsing gas and dark matter system using this library. In these simulations, we can easily compare the impact of individual models on the chemical evolution of galaxies, just by changing the control flags and parameters of the library. Since this library only deals with the part of chemical evolution under the SSP approximation, any simulation codes that use the SSP approximation—namely, particle-base and mesh codes, as well as semianalytical models—can use it. This library is named “CELib” after the term “Chemical Evolution Library” and is made available to the community.

  6. CHEMICAL EVOLUTION LIBRARY FOR GALAXY FORMATION SIMULATION

    Energy Technology Data Exchange (ETDEWEB)

    Saitoh, Takayuki R., E-mail: saitoh@elsi.jp [Earth-Life Science Institute, Tokyo Institute of Technology, 2-12-1, Ookayama, Meguro, Tokyo, 152-8551 (Japan)

    2017-02-01

    We have developed a software library for chemical evolution simulations of galaxy formation under the simple stellar population (SSP) approximation. In this library, all of the necessary components concerning chemical evolution, such as initial mass functions, stellar lifetimes, yields from Type II and Type Ia supernovae, asymptotic giant branch stars, and neutron star mergers, are compiled from the literature. Various models are pre-implemented in this library so that users can choose their favorite combination of models. Subroutines of this library return released energy and masses of individual elements depending on a given event type. Since the redistribution manner of these quantities depends on the implementation of users’ simulation codes, this library leaves it up to the simulation code. As demonstrations, we carry out both one-zone, closed-box simulations and 3D simulations of a collapsing gas and dark matter system using this library. In these simulations, we can easily compare the impact of individual models on the chemical evolution of galaxies, just by changing the control flags and parameters of the library. Since this library only deals with the part of chemical evolution under the SSP approximation, any simulation codes that use the SSP approximation—namely, particle-base and mesh codes, as well as semianalytical models—can use it. This library is named “CELib” after the term “Chemical Evolution Library” and is made available to the community.

  7. Propagation of radar rainfall uncertainty in urban flood simulations

    Science.gov (United States)

    Liguori, Sara; Rico-Ramirez, Miguel

    2013-04-01

    hydrodynamic sewer network model implemented in the Infoworks software was used to model the rainfall-runoff process in the urban area. The software calculates the flow through the sewer conduits of the urban model using rainfall as the primary input. The sewer network is covered by 25 radar pixels with a spatial resolution of 1 km2. The majority of the sewer system is combined, carrying both urban rainfall runoff as well as domestic and trade waste water [11]. The urban model was configured to receive the probabilistic radar rainfall fields. The results showed that the radar rainfall ensembles provide additional information about the uncertainty in the radar rainfall measurements that can be propagated in urban flood modelling. The peaks of the measured flow hydrographs are often bounded within the uncertainty area produced by using the radar rainfall ensembles. This is in fact one of the benefits of using radar rainfall ensembles in urban flood modelling. More work needs to be done in improving the urban models, but this is out of the scope of this research. The rainfall uncertainty cannot explain the whole uncertainty shown in the flow simulations, and additional sources of uncertainty will come from the structure of the urban models as well as the large number of parameters required by these models. Acknowledgements The authors would like to acknowledge the BADC, the UK Met Office and the UK Environment Agency for providing the various data sets. We also thank Yorkshire Water Services Ltd for providing the urban model. The authors acknowledge the support from the Engineering and Physical Sciences Research Council (EPSRC) via grant EP/I012222/1. References [1] Browning KA, 1978. Meteorological applications of radar. Reports on Progress in Physics 41 761 Doi: 10.1088/0034-4885/41/5/003 [2] Rico-Ramirez MA, Cluckie ID, Shepherd G, Pallot A, 2007. A high-resolution radar experiment on the island of Jersey. Meteorological Applications 14: 117-129. [3] Villarini G, Krajewski WF

  8. A long-term, continuous simulation approach for large-scale flood risk assessments

    Science.gov (United States)

    Falter, Daniela; Schröter, Kai; Viet Dung, Nguyen; Vorogushyn, Sergiy; Hundecha, Yeshewatesfa; Kreibich, Heidi; Apel, Heiko; Merz, Bruno

    2014-05-01

    The Regional Flood Model (RFM) is a process based model cascade developed for flood risk assessments of large-scale basins. RFM consists of four model parts: the rainfall-runoff model SWIM, a 1D channel routing model, a 2D hinterland inundation model and the flood loss estimation model for residential buildings FLEMOps+r. The model cascade was recently undertaken a proof-of-concept study at the Elbe catchment (Germany) to demonstrate that flood risk assessments, based on a continuous simulation approach, including rainfall-runoff, hydrodynamic and damage estimation models, are feasible for large catchments. The results of this study indicated that uncertainties are significant, especially for hydrodynamic simulations. This was basically a consequence of low data quality and disregarding dike breaches. Therefore, RFM was applied with a refined hydraulic model setup for the Elbe tributary Mulde. The study area Mulde catchment comprises about 6,000 km2 and 380 river-km. The inclusion of more reliable information on overbank cross-sections and dikes considerably improved the results. For the application of RFM for flood risk assessments, long-term climate input data is needed to drive the model chain. This model input was provided by a multi-site, multi-variate weather generator that produces sets of synthetic meteorological data reproducing the current climate statistics. The data set comprises 100 realizations of 100 years of meteorological data. With the proposed continuous simulation approach of RFM, we simulated a virtual period of 10,000 years covering the entire flood risk chain including hydrological, 1D/2D hydrodynamic and flood damage estimation models. This provided a record of around 2.000 inundation events affecting the study area with spatially detailed information on inundation depths and damage to residential buildings on a resolution of 100 m. This serves as basis for a spatially consistent, flood risk assessment for the Mulde catchment presented in

  9. Spatio-Temporal Process Simulation of Dam-Break Flood Based on SPH

    Science.gov (United States)

    Wang, H.; Ye, F.; Ouyang, S.; Li, Z.

    2018-04-01

    On the basis of introducing the SPH (Smooth Particle Hydrodynamics) simulation method, the key research problems were given solutions in this paper, which ere the spatial scale and temporal scale adapting to the GIS(Geographical Information System) application, the boundary condition equations combined with the underlying surface, and the kernel function and parameters applicable to dam-break flood simulation. In this regards, a calculation method of spatio-temporal process emulation with elaborate particles for dam-break flood was proposed. Moreover the spatio-temporal process was dynamic simulated by using GIS modelling and visualization. The results show that the method gets more information, objectiveness and real situations.

  10. Flooding Simulation of Extreme Event on Barnegat Bay by High-Resolution Two Dimensional Hydrodynamic Model

    Science.gov (United States)

    Wang, Y.; Ramaswamy, V.; Saleh, F.

    2017-12-01

    Barnegat Bay located on the east coast of New Jersey, United States and is separated from the Atlantic Ocean by the narrow Barnegat Peninsula which acts as a barrier island. The bay is fed by several rivers which empty through small estuaries along the inner shore. In terms of vulnerability from flooding, the Barnegat Peninsula is under the influence of both coastal storm surge and riverine flooding. Barnegat Bay was hit by Hurricane Sandy causing flood damages with extensive cross-island flow at many streets perpendicular to the shoreline. The objective of this work is to identify and quantify the sources of flooding using a two dimensional inland hydrodynamic model. The hydrodynamic model was forced by three observed coastal boundary conditions, and one hydrologic boundary condition from United States Geological Survey (USGS). The model reliability was evaluated with both FEMA spatial flooding extend and USGS High water marks. Simulated flooding extent showed good agreement with the reanalysis spatial inundation extents. Results offered important perspectives on the flow of the water into the bay, the velocity and the depth of the inundated areas. Using such information can enable emergency managers and decision makers identify evacuation and deploy flood defenses.

  11. Numerical simulation on the southern flood and northern drought in summer 2014 over Eastern China

    Science.gov (United States)

    Xu, Lianlian; He, Shengping; Li, Fei; Ma, Jiehua; Wang, Huijun

    2017-12-01

    In summer 2014, Eastern China suffered a typical "southern flood and northern drought" anomalous climate. Observational analyses indicated that the anomalous vertical motion, East Asian subtropical westerly jet stream, and the East Asian summer monsoon (EASM) played important roles in the formation of such precipitation anomaly. Furthermore, using the climate model (IAP-AGCM-4.1) perturbed by simultaneous observed sea surface temperature anomalies (SSTAs) in global scale and four different regions (North Pacific, Indian Ocean, North Atlantic, and Equatorial Pacific), this study investigated the potential contribution of ocean to such "southern flood and northern drought" over Eastern China in summer 2014. The simulations forced by global-scale SSTAs or North Pacific SSTAs displayed the most similarity to the observed "southern flood and northern drought" over Eastern China. It was revealed that the global-scale and North Pacific SSTAs influenced the rainfall over Eastern China via modulating the EASM. The related simulations successfully reproduced the associated atmospheric circulation anomalies. The experiment driven by Indian Ocean SSTAs could also reproduce the similar precipitation anomaly pattern and suggested that the Indian Ocean exerted pronounced influence on the North Pacific Subtropical High. Additionally, the simulations forced by SSTAs in the North Atlantic and Equatorial Pacific successfully reproduced the northern drought but failed to capture the southern flood. The simulations suggested that precipitation anomaly over Eastern China in summer 2014 was a comprehensive effect of global SSTAs and the dominant contribution to the "southern flood and northern drought" pattern came from the North Pacific and Indian Ocean.

  12. Fast Simulation of Large-Scale Floods Based on GPU Parallel Computing

    Directory of Open Access Journals (Sweden)

    Qiang Liu

    2018-05-01

    Full Text Available Computing speed is a significant issue of large-scale flood simulations for real-time response to disaster prevention and mitigation. Even today, most of the large-scale flood simulations are generally run on supercomputers due to the massive amounts of data and computations necessary. In this work, a two-dimensional shallow water model based on an unstructured Godunov-type finite volume scheme was proposed for flood simulation. To realize a fast simulation of large-scale floods on a personal computer, a Graphics Processing Unit (GPU-based, high-performance computing method using the OpenACC application was adopted to parallelize the shallow water model. An unstructured data management method was presented to control the data transportation between the GPU and CPU (Central Processing Unit with minimum overhead, and then both computation and data were offloaded from the CPU to the GPU, which exploited the computational capability of the GPU as much as possible. The parallel model was validated using various benchmarks and real-world case studies. The results demonstrate that speed-ups of up to one order of magnitude can be achieved in comparison with the serial model. The proposed parallel model provides a fast and reliable tool with which to quickly assess flood hazards in large-scale areas and, thus, has a bright application prospect for dynamic inundation risk identification and disaster assessment.

  13. Numerical simulation and experimental verification of oil recovery by macro-emulsion floods

    Energy Technology Data Exchange (ETDEWEB)

    Khamharatana, F. [Chulalongkorn Univ., Bangkok (Thailand); Thomas, S.; Farouq Ali, S. M. [Alberta Univ., Edmonton, AB (Canada)

    1997-08-01

    The process of emulsion flooding as an enhanced oil recovery method was described. The process involves several mechanisms that occur at the same time during displacement, therefore, simulation by emulsion flooding requires a good understanding of flow mechanics of emulsions in porous media. This paper provides a description of the process and its mathematical representation. Emulsion rheology, droplet capture and surfactant adsorption are represented mathematically and incorporated into a one-dimensional, three-phase mathematical model to account for interactions of surfactant, oil, water and the rock matrix. The simulator was validated by comparing simulation results with the results from linear core floods performed in the laboratory. Best match was achieved by a multi-phase non-Newtonian rheological model of an emulsion with interfacial tension-dependent relative permeabilities and time-dependent capture. 13 refs., 1 tab., 42 figs.

  14. Why continuous simulation? The role of antecedent moisture in design flood estimation

    Science.gov (United States)

    Pathiraja, S.; Westra, S.; Sharma, A.

    2012-06-01

    Continuous simulation for design flood estimation is increasingly becoming a viable alternative to traditional event-based methods. The advantage of continuous simulation approaches is that the catchment moisture state prior to the flood-producing rainfall event is implicitly incorporated within the modeling framework, provided the model has been calibrated and validated to produce reasonable simulations. This contrasts with event-based models in which both information about the expected sequence of rainfall and evaporation preceding the flood-producing rainfall event, as well as catchment storage and infiltration properties, are commonly pooled together into a single set of "loss" parameters which require adjustment through the process of calibration. To identify the importance of accounting for antecedent moisture in flood modeling, this paper uses a continuous rainfall-runoff model calibrated to 45 catchments in the Murray-Darling Basin in Australia. Flood peaks derived using the historical daily rainfall record are compared with those derived using resampled daily rainfall, for which the sequencing of wet and dry days preceding the heavy rainfall event is removed. The analysis shows that there is a consistent underestimation of the design flood events when antecedent moisture is not properly simulated, which can be as much as 30% when only 1 or 2 days of antecedent rainfall are considered, compared to 5% when this is extended to 60 days of prior rainfall. These results show that, in general, it is necessary to consider both short-term memory in rainfall associated with synoptic scale dependence, as well as longer-term memory at seasonal or longer time scale variability in order to obtain accurate design flood estimates.

  15. Large-watershed flood simulation and forecasting based on different-resolution distributed hydrological model

    Science.gov (United States)

    Li, J.

    2017-12-01

    Large-watershed flood simulation and forecasting is very important for a distributed hydrological model in the application. There are some challenges including the model's spatial resolution effect, model performance and accuracy and so on. To cope with the challenge of the model's spatial resolution effect, different model resolution including 1000m*1000m, 600m*600m, 500m*500m, 400m*400m, 200m*200m were used to build the distributed hydrological model—Liuxihe model respectively. The purpose is to find which one is the best resolution for Liuxihe model in Large-watershed flood simulation and forecasting. This study sets up a physically based distributed hydrological model for flood forecasting of the Liujiang River basin in south China. Terrain data digital elevation model (DEM), soil type and land use type are downloaded from the website freely. The model parameters are optimized by using an improved Particle Swarm Optimization(PSO) algorithm; And parameter optimization could reduce the parameter uncertainty that exists for physically deriving model parameters. The different model resolution (200m*200m—1000m*1000m ) are proposed for modeling the Liujiang River basin flood with the Liuxihe model in this study. The best model's spatial resolution effect for flood simulation and forecasting is 200m*200m.And with the model's spatial resolution reduction, the model performance and accuracy also become worse and worse. When the model resolution is 1000m*1000m, the flood simulation and forecasting result is the worst, also the river channel divided based on this resolution is differs from the actual one. To keep the model with an acceptable performance, minimum model spatial resolution is needed. The suggested threshold model spatial resolution for modeling the Liujiang River basin flood is a 500m*500m grid cell, but the model spatial resolution with a 200m*200m grid cell is recommended in this study to keep the model at a best performance.

  16. Continuous hydrologic simulation and flood-frequency, hydraulic, and flood-hazard analysis of the Blackberry Creek watershed, Kane County, Illinois

    Science.gov (United States)

    Soong, David T.; Straub, Timothy D.; Murphy, Elizabeth A.

    2006-01-01

    Results of hydrologic model, flood-frequency, hydraulic model, and flood-hazard analysis of the Blackberry Creek watershed in Kane County, Illinois, indicate that the 100-year and 500-year flood plains range from approximately 25 acres in the tributary F watershed (a headwater subbasin at the northeastern corner of the watershed) to almost 1,800 acres in Blackberry Creek main stem. Based on 1996 land-cover data, most of the land in the 100-year and 500-year flood plains was cropland, forested and wooded land, and grassland. A relatively small percentage of urban land was in the flood plains. The Blackberry Creek watershed has undergone rapid urbanization in recent decades. The population and urbanized lands in the watershed are projected to double from the 1990 condition by 2020. Recently, flood-induced damage has occurred more frequently in urbanized areas of the watershed. There are concerns about the effect of urbanization on flood peaks and volumes, future flood-mitigation plans, and potential effects on the water quality and stream habitats. This report describes the procedures used in developing the hydrologic models, estimating the flood-peak discharge magnitudes and recurrence intervals for flood-hazard analysis, developing the hydraulic model, and the results of the analysis in graphical and tabular form. The hydrologic model, Hydrological Simulation Program-FORTRAN (HSPF), was used to perform the simulation of continuous water movements through various patterns of land uses in the watershed. Flood-frequency analysis was applied to an annual maximum series to determine flood quantiles in subbasins for flood-hazard analysis. The Hydrologic Engineering Center-River Analysis System (HEC-RAS) hydraulic model was used to determine the 100-year and 500-year flood elevations, and to determine the 100-year floodway. The hydraulic model was calibrated and verified using high water marks and observed inundation maps for the July 17-18, 1996, flood event. Digital

  17. Effects of the 2008 flood on economic performance and food security in Yemen: a simulation analysis.

    Science.gov (United States)

    Breisinger, Clemens; Ecker, Olivier; Thiele, Rainer; Wiebelt, Manfred

    2016-04-01

    Extreme weather events such as floods and droughts can have devastating consequences for individual well being and economic development, in particular in poor societies with limited availability of coping mechanisms. Combining a dynamic computable general equilibrium model of the Yemeni economy with a household-level calorie consumption simulation model, this paper assesses the economy-wide, agricultural and food security effects of the 2008 tropical storm and flash flood that hit the Hadramout and Al-Mahrah governorates. The estimation results suggest that agricultural value added, farm household incomes and rural food security deteriorated long term in the flood-affected areas. Due to economic spillover effects, significant income losses and increases in food insecurity also occurred in areas that were unaffected by flooding. This finding suggests that while most relief efforts are typically concentrated in directly affected areas, future efforts should also consider surrounding areas and indirectly affected people. © 2016 The Author(s). Disasters © Overseas Development Institute, 2016.

  18. The validity of flow approximations when simulating catchment-integrated flash floods

    Science.gov (United States)

    Bout, B.; Jetten, V. G.

    2018-01-01

    Within hydrological models, flow approximations are commonly used to reduce computation time. The validity of these approximations is strongly determined by flow height, flow velocity and the spatial resolution of the model. In this presentation, the validity and performance of the kinematic, diffusive and dynamic flow approximations are investigated for use in a catchment-based flood model. Particularly, the validity during flood events and for varying spatial resolutions is investigated. The OpenLISEM hydrological model is extended to implement both these flow approximations and channel flooding based on dynamic flow. The flow approximations are used to recreate measured discharge in three catchments, among which is the hydrograph of the 2003 flood event in the Fella river basin. Furthermore, spatial resolutions are varied for the flood simulation in order to investigate the influence of spatial resolution on these flow approximations. Results show that the kinematic, diffusive and dynamic flow approximation provide least to highest accuracy, respectively, in recreating measured discharge. Kinematic flow, which is commonly used in hydrological modelling, substantially over-estimates hydrological connectivity in the simulations with a spatial resolution of below 30 m. Since spatial resolutions of models have strongly increased over the past decades, usage of routed kinematic flow should be reconsidered. The combination of diffusive or dynamic overland flow and dynamic channel flooding provides high accuracy in recreating the 2003 Fella river flood event. Finally, in the case of flood events, spatial modelling of kinematic flow substantially over-estimates hydrological connectivity and flow concentration since pressure forces are removed, leading to significant errors.

  19. Flood Zoning Simulation by HEC-RAS Model (Case Study: Johor River-Kota Tinggi Region)

    OpenAIRE

    ShahiriParsa, Ahmad; Heydari, Mohammad; Sadeghian, Mohammad Sadegh; Moharrampour, Mahdi

    2015-01-01

    Flooding of rivers has caused many human and financial losses. Hence, studies and research on the nature of the river is inevitable.However, the behavior of rivers hasmany complexities and in this respect, computer models are efficient tools in order to study and simulate the behavior of rivers with the least possible cost. In this paper, one-dimensional model HEC-RAS was used to simulate the flood zoning in the Kota Tinggi district in Johor state. Implementation processes of the zoning on ca...

  20. Combining hydraulic model, hydrogeomorphological observations and chemical analyses of surface waters to improve knowledge on karst flash floods genesis

    Directory of Open Access Journals (Sweden)

    F. Raynaud

    2015-06-01

    Full Text Available During a flood event over a karst watershed, the connections between surface and ground waters appear to be complex ones. The karst may attenuate surface floods by absorbing water or contribute to the surface flood by direct contribution of karst waters in the rivers (perennial and overflowing springs and by diffuse resurgence along the hillslopes. If it is possible to monitor each known outlet of a karst system, the diffuse contribution is yet difficult to assess. Furthermore, all these connections vary over time according to several factors such as the water content of the soil and underground, the rainfall characteristics, the runoff pathways. Therefore, the contribution of each compartment is generally difficult to assess, and flood dynamics are not fully understood. To face these misunderstandings and difficulties, we analysed surface waters during six recent flood events in the Lirou watershed (a karst tributary of the Lez, in South of France. Because of the specific chemical signature of karst waters, chemical analyses can supply information about water pathways and flood dynamics. Then, we used the dilution law to combine chemical results, flow data and field observations to assess the dynamics of the karst component of the flood. To end, we discussed the surface or karst origin of the waters responsible for the apparent runoff coefficient rise during flash karst flood.

  1. High-resolution simulation and forecasting of Jeddah floods using WRF version 3.5

    KAUST Repository

    Deng, Liping

    2013-12-01

    Modeling flash flood events in arid environments is a difficult but important task that has impacts on both water resource related issues and also emergency management and response. The challenge is often related to adequately describing the precursor intense rainfall events that cause these flood responses, as they are generally poorly simulated and forecast. Jeddah, the second largest city in the Kingdom of Saudi Arabia, has suffered from a number of flash floods over the last decade, following short-intense rainfall events. The research presented here focuses on examining four historic Jeddah flash floods (Nov. 25-26 2009, Dec. 29-30 2010, Jan. 14-15 2011 and Jan. 25-26 2011) and investigates the feasibility of using numerical weather prediction models to achieve a more realistic simulation of these flood-producing rainfall events. The Weather Research and Forecasting (WRF) model (version 3.5) is used to simulate precipitation and meteorological conditions via a high-resolution inner domain (1-km) around Jeddah. A range of different convective closure and microphysics parameterization, together with high-resolution (4-km) sea surface temperature data are employed. Through examining comparisons between the WRF model output and in-situ, radar and satellite data, the characteristics and mechanism producing the extreme rainfall events are discussed and the capacity of the WRF model to accurately forecast these rainstorms is evaluated.

  2. High-resolution simulation and forecasting of Jeddah floods using WRF version 3.5

    KAUST Repository

    Deng, Liping; McCabe, Matthew; Stenchikov, Georgiy L.; Evans, Jason; Kucera, Paul

    2013-01-01

    Modeling flash flood events in arid environments is a difficult but important task that has impacts on both water resource related issues and also emergency management and response. The challenge is often related to adequately describing the precursor intense rainfall events that cause these flood responses, as they are generally poorly simulated and forecast. Jeddah, the second largest city in the Kingdom of Saudi Arabia, has suffered from a number of flash floods over the last decade, following short-intense rainfall events. The research presented here focuses on examining four historic Jeddah flash floods (Nov. 25-26 2009, Dec. 29-30 2010, Jan. 14-15 2011 and Jan. 25-26 2011) and investigates the feasibility of using numerical weather prediction models to achieve a more realistic simulation of these flood-producing rainfall events. The Weather Research and Forecasting (WRF) model (version 3.5) is used to simulate precipitation and meteorological conditions via a high-resolution inner domain (1-km) around Jeddah. A range of different convective closure and microphysics parameterization, together with high-resolution (4-km) sea surface temperature data are employed. Through examining comparisons between the WRF model output and in-situ, radar and satellite data, the characteristics and mechanism producing the extreme rainfall events are discussed and the capacity of the WRF model to accurately forecast these rainstorms is evaluated.

  3. Interactive Mathematica Simulations in Chemical Engineering Courses

    Science.gov (United States)

    Falconer, John L.; Nicodemus, Garret D.

    2014-01-01

    Interactive Mathematica simulations with graphical displays of system behavior are an excellent addition to chemical engineering courses. The Manipulate command in Mathematica creates on-screen controls that allow users to change system variables and see the graphical output almost instantaneously. They can be used both in and outside class. More…

  4. CHEMSIMUL: A simulator for chemical kinetics

    DEFF Research Database (Denmark)

    Kirkegaard, P.; Bjergbakke, E.

    1999-01-01

    CHEMSIMUL is a computer program system for numerical simulation of chemical reaction systems. It can be used for modeling complex kinetics in many contexts, in particular radiolytic processes. It contains a translator module and a module for solving theresulting coupled nonlinear ordinary...

  5. Assessment on the pedestrian risk during floods based on numerical simulation - A case study in Jinan City

    Science.gov (United States)

    Cheng, T.; Xu, Z.; Hong, S.

    2017-12-01

    Flood disasters frequently attack the urban area in Jinan City during past years, and the city is faced with severe road flooding which greatly threaten pedestrians' safety. Therefore, it is of great significance to investigate the pedestrian risk during floods under specific topographic condition. In this study, a model coupled hydrological and hydrodynamic processes is developed in the study area to simulate the flood routing process on the road for the "7.18" rainstorm and validated with post-disaster damage survey information. The risk of pedestrian is estimated with a flood risk assessment model. The result shows that the coupled model performs well in the rainstorm flood process. On the basis of the simulation result, the areas with extreme risk, medium risk, and mild risk are identified, respectively. Regions with high risk are generally located near the mountain front area with steep slopes. This study will provide scientific support for the flood control and disaster reduction in Jinan City.

  6. Dynamics of water and nutrients for potted plants induced by flooded bench fertigation : experiments and simulation

    NARCIS (Netherlands)

    Otten, W.

    1994-01-01

    Dynamics of water and nutrients as affected by physical and chemical characteristics of a substrate, fertigation method and schedule, and plant uptake were studied for a flooded bench fertigation system for potted plants, through a detailed experimental study of the root environment and a

  7. Impacts of spatial resolution and representation of flow connectivity on large-scale simulation of floods

    Directory of Open Access Journals (Sweden)

    C. M. R. Mateo

    2017-10-01

    Full Text Available Global-scale river models (GRMs are core tools for providing consistent estimates of global flood hazard, especially in data-scarce regions. Due to former limitations in computational power and input datasets, most GRMs have been developed to use simplified representations of flow physics and run at coarse spatial resolutions. With increasing computational power and improved datasets, the application of GRMs to finer resolutions is becoming a reality. To support development in this direction, the suitability of GRMs for application to finer resolutions needs to be assessed. This study investigates the impacts of spatial resolution and flow connectivity representation on the predictive capability of a GRM, CaMa-Flood, in simulating the 2011 extreme flood in Thailand. Analyses show that when single downstream connectivity (SDC is assumed, simulation results deteriorate with finer spatial resolution; Nash–Sutcliffe efficiency coefficients decreased by more than 50 % between simulation results at 10 km resolution and 1 km resolution. When multiple downstream connectivity (MDC is represented, simulation results slightly improve with finer spatial resolution. The SDC simulations result in excessive backflows on very flat floodplains due to the restrictive flow directions at finer resolutions. MDC channels attenuated these effects by maintaining flow connectivity and flow capacity between floodplains in varying spatial resolutions. While a regional-scale flood was chosen as a test case, these findings should be universal and may have significant impacts on large- to global-scale simulations, especially in regions where mega deltas exist.These results demonstrate that a GRM can be used for higher resolution simulations of large-scale floods, provided that MDC in rivers and floodplains is adequately represented in the model structure.

  8. Impacts of spatial resolution and representation of flow connectivity on large-scale simulation of floods

    Science.gov (United States)

    Mateo, Cherry May R.; Yamazaki, Dai; Kim, Hyungjun; Champathong, Adisorn; Vaze, Jai; Oki, Taikan

    2017-10-01

    Global-scale river models (GRMs) are core tools for providing consistent estimates of global flood hazard, especially in data-scarce regions. Due to former limitations in computational power and input datasets, most GRMs have been developed to use simplified representations of flow physics and run at coarse spatial resolutions. With increasing computational power and improved datasets, the application of GRMs to finer resolutions is becoming a reality. To support development in this direction, the suitability of GRMs for application to finer resolutions needs to be assessed. This study investigates the impacts of spatial resolution and flow connectivity representation on the predictive capability of a GRM, CaMa-Flood, in simulating the 2011 extreme flood in Thailand. Analyses show that when single downstream connectivity (SDC) is assumed, simulation results deteriorate with finer spatial resolution; Nash-Sutcliffe efficiency coefficients decreased by more than 50 % between simulation results at 10 km resolution and 1 km resolution. When multiple downstream connectivity (MDC) is represented, simulation results slightly improve with finer spatial resolution. The SDC simulations result in excessive backflows on very flat floodplains due to the restrictive flow directions at finer resolutions. MDC channels attenuated these effects by maintaining flow connectivity and flow capacity between floodplains in varying spatial resolutions. While a regional-scale flood was chosen as a test case, these findings should be universal and may have significant impacts on large- to global-scale simulations, especially in regions where mega deltas exist.These results demonstrate that a GRM can be used for higher resolution simulations of large-scale floods, provided that MDC in rivers and floodplains is adequately represented in the model structure.

  9. Applying a coupled hydrometeorological simulation system to flash flood forecasting over the Korean Peninsula

    Science.gov (United States)

    Ryu, Young; Lim, Yoon-Jin; Ji, Hee-Sook; Park, Hyun-Hee; Chang, Eun-Chul; Kim, Baek-Jo

    2017-11-01

    In flash flood forecasting, it is necessary to consider not only traditional meteorological variables such as precipitation, evapotranspiration, and soil moisture, but also hydrological components such as streamflow. To address this challenge, the application of high resolution coupled atmospheric-hydrological models is emerging as a promising alternative. This study demonstrates the feasibility of linking a coupled atmospheric-hydrological model (WRF/WRFHydro) with 150-m horizontal grid spacing for flash flood forecasting in Korea. The study area is the Namgang Dam basin in Southern Korea, a mountainous area located downstream of Jiri Mountain (1915 m in height). Under flash flood conditions, the simulated precipitation over the entire basin is comparable to the domain-averaged precipitation, but discharge data from WRF-Hydro shows some differences in the total available water and the temporal distribution of streamflow (given by the timing of the streamflow peak following precipitation), compared to observations. On the basis of sensitivity tests, the parameters controlling the infiltration of excess precipitation and channel roughness depending on stream order are refined and their influence on temporal distribution of streamflow is addressed with intent to apply WRF-Hydro to flash flood forecasting in the Namgang Dam basin. The simulation results from the WRF-Hydro model with optimized parameters demonstrate the potential utility of a coupled atmospheric-hydrological model for forecasting heavy rain-induced flash flooding over the Korean Peninsula.

  10. An at-site flood estimation method in the context of nonstationarity I. A simulation study

    Science.gov (United States)

    Gado, Tamer A.; Nguyen, Van-Thanh-Van

    2016-04-01

    The stationarity of annual flood peak records is the traditional assumption of flood frequency analysis. In some cases, however, as a result of land-use and/or climate change, this assumption is no longer valid. Therefore, new statistical models are needed to capture dynamically the change of probability density functions over time, in order to obtain reliable flood estimation. In this study, an innovative method for nonstationary flood frequency analysis was presented. Here, the new method is based on detrending the flood series and applying the L-moments along with the GEV distribution to the transformed ;stationary; series (hereafter, this is called the LM-NS). The LM-NS method was assessed through a comparative study with the maximum likelihood (ML) method for the nonstationary GEV model, as well as with the stationary (S) GEV model. The comparative study, based on Monte Carlo simulations, was carried out for three nonstationary GEV models: a linear dependence of the mean on time (GEV1), a quadratic dependence of the mean on time (GEV2), and linear dependence in both the mean and log standard deviation on time (GEV11). The simulation results indicated that the LM-NS method performs better than the ML method for most of the cases studied, whereas the stationary method provides the least accurate results. An additional advantage of the LM-NS method is to avoid the numerical problems (e.g., convergence problems) that may occur with the ML method when estimating parameters for small data samples.

  11. Comparison of 2D numerical models for river flood hazard assessment: simulation of the Secchia River flood in January, 2014

    Science.gov (United States)

    Shustikova, Iuliia; Domeneghetti, Alessio; Neal, Jeffrey; Bates, Paul; Castellarin, Attilio

    2017-04-01

    that would be efficient for simulating flooding scenarios for large and very large floodplains. This research aims at contributing to the reduction of uncertainties and limitations in hazard and risk assessment.

  12. FORECAST OF THE DYNAMICS FLOODING OF THE CRIMEAN AREA DURING OF FLASH FLOODS IN 2012ON THE BASIS COMPUTER SIMULATION

    Directory of Open Access Journals (Sweden)

    E. O. Agafonnikova

    2014-01-01

    Full Text Available The dynamics features of the surface waters for the territory of the Crimea area of Krasnodar region in flash flood conditions have been studied. The parameters of flooding depending on the precipitation intensity have been defined.

  13. Methane hydrate dissociation using inverted five-spot water flooding method in cubic hydrate simulator

    International Nuclear Information System (INIS)

    Li, Gang; Li, Xiao-Sen; Li, Bo; Wang, Yi

    2014-01-01

    The combination forms of the hydrate dissociation methods in different well systems are divided into 6 main patterns. Dissociation processes of methane hydrate in porous media using the inverted five-spot water flooding method (Pattern 4) are investigated by the experimental observation and numerical simulation. In situ methane hydrate is synthesized in the Cubic Hydrate Simulator (CHS), a 5.832-L cubic reactor. A center vertical well is used as the hot water injection well, while the four vertical wells at the corner are the gas and water production wells. The gas production begins simultaneously with the hot water injection, while after approximately 20 min of compression, the water begins to be produced. One of the common characteristics of the inverted five-spot water flooding method is that both the gas and water production rates decrease with the reduction of the hydrate dissociation rate. The evaluation of the energy efficiency ratio might indicate the inverted five-spot water flooding as a promising gas producing method from the hydrate reservoir. - Highlights: • A three-dimensional 5.8-L cubic pressure vessel is developed. • Gas production of hydrate using inverted five-spot flooding method is studied. • Water/gas production rate and energy efficiency ratio are evaluated. • Temperature distributions of numerical simulation and experiment agree well. • Hydrate dissociation process is a moving boundary problem in this study

  14. Systematic testing of flood adaptation options in urban areas through simulations

    Science.gov (United States)

    Löwe, Roland; Urich, Christian; Sto. Domingo, Nina; Mark, Ole; Deletic, Ana; Arnbjerg-Nielsen, Karsten

    2016-04-01

    While models can quantify flood risk in great detail, the results are subject to a number of deep uncertainties. Climate dependent drivers such as sea level and rainfall intensities, population growth and economic development all have a strong influence on future flood risk, but future developments can only be estimated coarsely. In such a situation, robust decision making frameworks call for the systematic evaluation of mitigation measures against ensembles of potential futures. We have coupled the urban development software DAnCE4Water and the 1D-2D hydraulic simulation package MIKE FLOOD to create a framework that allows for such systematic evaluations, considering mitigation measures under a variety of climate futures and urban development scenarios. A wide spectrum of mitigation measures can be considered in this setup, ranging from structural measures such as modifications of the sewer network over local retention of rainwater and the modification of surface flow paths to policy measures such as restrictions on urban development in flood prone areas or master plans that encourage compact development. The setup was tested in a 300 ha residential catchment in Melbourne, Australia. The results clearly demonstrate the importance of considering a range of potential futures in the planning process. For example, local rainwater retention measures strongly reduce flood risk a scenario with moderate increase of rain intensities and moderate urban growth, but their performance strongly varies, yielding very little improvement in situations with pronounced climate change. The systematic testing of adaptation measures further allows for the identification of so-called adaptation tipping points, i.e. levels for the drivers of flood risk where the desired level of flood risk is exceeded despite the implementation of (a combination of) mitigation measures. Assuming a range of development rates for the drivers of flood risk, such tipping points can be translated into

  15. Development of high-resolution multi-scale modelling system for simulation of coastal-fluvial urban flooding

    Science.gov (United States)

    Comer, Joanne; Indiana Olbert, Agnieszka; Nash, Stephen; Hartnett, Michael

    2017-02-01

    Urban developments in coastal zones are often exposed to natural hazards such as flooding. In this research, a state-of-the-art, multi-scale nested flood (MSN_Flood) model is applied to simulate complex coastal-fluvial urban flooding due to combined effects of tides, surges and river discharges. Cork city on Ireland's southwest coast is a study case. The flood modelling system comprises a cascade of four dynamically linked models that resolve the hydrodynamics of Cork Harbour and/or its sub-region at four scales: 90, 30, 6 and 2 m. Results demonstrate that the internalization of the nested boundary through the use of ghost cells combined with a tailored adaptive interpolation technique creates a highly dynamic moving boundary that permits flooding and drying of the nested boundary. This novel feature of MSN_Flood provides a high degree of choice regarding the location of the boundaries to the nested domain and therefore flexibility in model application. The nested MSN_Flood model through dynamic downscaling facilitates significant improvements in accuracy of model output without incurring the computational expense of high spatial resolution over the entire model domain. The urban flood model provides full characteristics of water levels and flow regimes necessary for flood hazard identification and flood risk assessment.

  16. Simulation experiment on the flooding behaviour of core melts: KATS-9

    International Nuclear Information System (INIS)

    Fieg, G.; Massier, H.; Schuetz, W.; Stegmaier, U.; Stern, G.

    2000-11-01

    For future Light Water Reactors special devices (core catchers) are being developed to prevent containment failure by basement erosion after reactor pressure vessel meltthrough during a core meltdown accident. Quick freezing of the molten core masses is desirable to reduce release of radioactivity. Several concepts of core catcher devices have been proposed based on the spreading of corium melt onto flat surfaces with subsequent water cooling. A KATS-experiment has been performed to investigate the flooding behaviour of high temperature melts using alumina-iron thermite melts as a simulant. The oxidic thermite melt is conditioned by adding other oxides to simulate a realistic corium melt as close as possible in terms of liquidus and solidus temperatures. Before flooding with water, spreading of the separate oxidic and metallic melts has been done in one-dimensional channels with a silicate concrete as the substrate. The flooding rate was, in relation to the melt surface, identical to the flooding rate in EPR. (orig.) [de

  17. TMVOC, simulator for multiple volatile organic chemicals

    International Nuclear Information System (INIS)

    Pruess, Karsten; Battistelli, Alfredo

    2003-01-01

    TMVOC is a numerical simulator for three-phase non-isothermal flow of water, soil gas, and a multicomponent mixture of volatile organic chemicals (VOCs) in multidimensional heterogeneous porous media. It is an extension of the TOUGH2 general-purpose simulation program developed at the Lawrence Berkeley National Laboratory. TMVOC is designed for applications to contamination problems that involve hydrocarbon fuel or organic solvent spills in saturated and unsaturated zones. It can model contaminant behavior under ''natural'' environmental conditions, as well as for engineered systems, such as soil vapor extraction, groundwater pumping, or steam-assisted source remediation. TMVOC is upwards compatible with T2VOC (Falta et al., 1995) and can be initialized from T2VOC-style initial conditions. The main enhancements in TMVOC relative to T2VOC are as follows: a multicomponent mixture of volatile organic chemicals can be modeled; any and all combinations of the three phases water-oil-gas are treated; several non-condensible gases may be present; diffusion is treated in all phases in a manner that is fully coupled with phase partitioning. This paper gives a brief summary of the methodology used in TMVOC as well as highlighting some implementation issues. Simulation of a NAPL spill and subsequent remediation is discussed for a 2-D vertical section of a saturated-unsaturated flow problem

  18. Flood frequency estimation by national-scale continuous hydrological simulations: an application in Great Britain

    Science.gov (United States)

    Formetta, Giuseppe; Stewart, Elizabeth; Bell, Victoria; Reynard, Nick

    2017-04-01

    measured floods with a correlation coefficient that ranges from 0.8 for low return periods to 0.65 for the highest. It is shown that model performance is robust and independent of catchment features such as area and mean annual rainfall. The promising results for Great Britain support the aspiration that continuous simulation from large-scale hydrological models, supported by the increasing availability of global weather, climate and hydrological products, could be used to develop robust methods to help engineers estimate design floods in regions with limited gauge data or affected by environmental change.

  19. Aerosol simulation including chemical and nuclear reactions

    International Nuclear Information System (INIS)

    Marwil, E.S.; Lemmon, E.C.

    1985-01-01

    The numerical simulation of aerosol transport, including the effects of chemical and nuclear reactions presents a challenging dynamic accounting problem. Particles of different sizes agglomerate and settle out due to various mechanisms, such as diffusion, diffusiophoresis, thermophoresis, gravitational settling, turbulent acceleration, and centrifugal acceleration. Particles also change size, due to the condensation and evaporation of materials on the particle. Heterogeneous chemical reactions occur at the interface between a particle and the suspending medium, or a surface and the gas in the aerosol. Homogeneous chemical reactions occur within the aersol suspending medium, within a particle, and on a surface. These reactions may include a phase change. Nuclear reactions occur in all locations. These spontaneous transmutations from one element form to another occur at greatly varying rates and may result in phase or chemical changes which complicate the accounting process. This paper presents an approach for inclusion of these effects on the transport of aerosols. The accounting system is very complex and results in a large set of stiff ordinary differential equations (ODEs). The techniques for numerical solution of these ODEs require special attention to achieve their solution in an efficient and affordable manner. 4 refs

  20. Distributed Simulation of City Inundation by Coupled Surface and Subsurface Porous Flow for Urban Flood Decision Support System

    NARCIS (Netherlands)

    Krzhizhanovskaya, V.V.; Melnikova, N.B.; Chirkin, A.M.; Ivanov, S.V.; Boukhanovsky, A.V.; Sloot, P.M.A.

    2013-01-01

    We present a decision support system for flood early warning and disaster management. It includes the models for data- driven meteorological predictions, for simulation of atmospheric pressure, wind, long sea waves and seiches; a module for optimization of flood barrier gates operation; models for

  1. Calibration of a rainfall-runoff hydrological model and flood simulation using data assimilation

    Science.gov (United States)

    Piacentini, A.; Ricci, S. M.; Thual, O.; Coustau, M.; Marchandise, A.

    2010-12-01

    velocity travel before the flood peak. These optimal values are used for a new simulation of the event in forecast mode (under the assumption of perfect rain-fall). On both catchments, it was shown over a significant number of flood events, that the data assimilation procedure improves the flood peak forecast. The improvement is globally more important for the Gardon d'Anduze catchment where the flood events are stronger. The peak can be forecasted up to 36 hours head of time assimilating very few observations (up to 4) during the rise of the water level. For multiple peaks events, the assimilation of the observations from the first peak leads to a significant improvement of the second peak simulation. It was also shown that the flood rise is often faster in reality than it is represented by the model. In this case and when the flood peak is under estimated in the simulation, the use of the first observations can be misleading for the data assimilation algorithm. The careful estimation of the observation and background error variances enabled the satisfying use of the data assimilation in these complex cases even though it does not allow the model error correction.

  2. CHEMSIMUL: A simulator for chemical kinetics

    International Nuclear Information System (INIS)

    Kirkegaard, P.; Bjergbakke, E.

    1999-01-01

    CHEMSIMUL is a computer program system for numerical simulation of chemical reaction systems. It can be used for modeling complex kinetics in many contexts, in particular radiolytic processes. It contains a translator module and a module for solving the resulting coupled nonlinear ordinary differential equations. An overview of the program system is given, and its use is illustrated by examples. A number of special features are described, in particular a method for verifying the mass balance. Moreover, the document contains a complete User's Guide for running CHEMSIMUL on a PC or another computer. Finally, the mathematical implementation is discussed. (au)

  3. Constraining continuous rainfall simulations for derived design flood estimation

    Science.gov (United States)

    Woldemeskel, F. M.; Sharma, A.; Mehrotra, R.; Westra, S.

    2016-11-01

    Stochastic rainfall generation is important for a range of hydrologic and water resources applications. Stochastic rainfall can be generated using a number of models; however, preserving relevant attributes of the observed rainfall-including rainfall occurrence, variability and the magnitude of extremes-continues to be difficult. This paper develops an approach to constrain stochastically generated rainfall with an aim of preserving the intensity-durationfrequency (IFD) relationships of the observed data. Two main steps are involved. First, the generated annual maximum rainfall is corrected recursively by matching the generated intensity-frequency relationships to the target (observed) relationships. Second, the remaining (non-annual maximum) rainfall is rescaled such that the mass balance of the generated rain before and after scaling is maintained. The recursive correction is performed at selected storm durations to minimise the dependence between annual maximum values of higher and lower durations for the same year. This ensures that the resulting sequences remain true to the observed rainfall as well as represent the design extremes that may have been developed separately and are needed for compliance reasons. The method is tested on simulated 6 min rainfall series across five Australian stations with different climatic characteristics. The results suggest that the annual maximum and the IFD relationships are well reproduced after constraining the simulated rainfall. While our presentation focusses on the representation of design rainfall attributes (IFDs), the proposed approach can also be easily extended to constrain other attributes of the generated rainfall, providing an effective platform for post-processing of stochastic rainfall generators.

  4. Localized reactive flow in carbonate rocks: Core-flood experiments and network simulations

    Science.gov (United States)

    Wang, Haoyue; Bernabé, Yves; Mok, Ulrich; Evans, Brian

    2016-11-01

    We conducted four core-flood experiments on samples of a micritic, reef limestone from Abu Dhabi under conditions of constant flow rate. The pore fluid was water in equilibrium with CO2, which, because of its lowered pH, is chemically reactive with the limestone. Flow rates were between 0.03 and 0.1 mL/min. The difference between up and downstream pore pressures dropped to final values ≪1 MPa over periods of 3-18 h. Scanning electron microscope and microtomography imaging of the starting material showed that the limestone is mostly calcite and lacks connected macroporosity and that the prevailing pores are few microns large. During each experiment, a wormhole formed by localized dissolution, an observation consistent with the decreases in pressure head between the up and downstream reservoirs. Moreover, we numerically modeled the changes in permeability during the experiments. We devised a network approach that separated the pore space into competing subnetworks of pipes. Thus, the problem was framed as a competition of flow of the reactive fluid among the adversary subnetworks. The precondition for localization within certain time is that the leading subnetwork rapidly becomes more transmissible than its competitors. This novel model successfully simulated features of the shape of the wormhole as it grew from few to about 100 µm, matched the pressure history patterns, and yielded the correct order of magnitude of the breakthrough time. Finally, we systematically studied the impact of changing the statistical parameters of the subnetworks. Larger mean radius and spatial correlation of the leading subnetwork led to faster localization.

  5. Climate simulation and flood risk analysis for 2008-40 for Devils Lake, North Dakota

    Science.gov (United States)

    Vecchia, Aldo V.

    2008-01-01

    Devils Lake and Stump Lake in northeastern North Dakota receive surface runoff from a 3,810-square-mile drainage basin, and evaporation provides the only major water loss unless the lakes are above their natural spill elevation to the Sheyenne River. In September 2007, flow from Devils Lake to Stump Lake had filled Stump Lake and the two lakes consisted of essentially one water body with an elevation of 1,447.1 feet, about 3 feet below the existing base flood elevation (1,450 feet) and about 12 feet below the natural outlet elevation to the Sheyenne River (1,459 feet).Devils Lake could continue to rise, causing extensive additional flood damages in the basin and, in the event of an uncontrolled natural spill, downstream in the Red River of the North Basin. This report describes the results of a study conducted by the U.S. Geological Survey, in cooperation with the Federal Emergency Management Agency, to evaluate future flood risk for Devils Lake and provide information for developing updated flood-insurance rate maps and planning flood-mitigation activities such as raising levees or roads.In about 1980, a large, abrupt, and highly significant increase in precipitation occurred in the Devils Lake Basin and elsewhere in the Northern Great Plains, and wetter-than-normal conditions have persisted through the present (2007). Although future precipitation is impossible to predict, paleoclimatic evidence and recent research on climate dynamics indicate the current wet conditions are not likely to end anytime soon. For example, there is about a 72-percent chance wet conditions will last at least 10 more years and about a 37-percent chance wet conditions will last at least 30 more years.A stochastic simulation model for Devils Lake and Stump Lake developed in a previous study was updated and used to generate 10,000 potential future realizations, or traces, of precipitation, evaporation, inflow, and lake levels given existing conditions on September 30, 2007, and randomly

  6. The Significance of the Spatial Variability of Rainfall on the Numerical Simulation of Urban Floods

    Directory of Open Access Journals (Sweden)

    Laurent Guillaume Courty

    2018-02-01

    Full Text Available The growth of urban population, combined with an increase of extreme events due to climate change call for a better understanding and representation of urban floods. The uncertainty in rainfall distribution is one of the most important factors that affects the watershed response to a given precipitation event. However, most of the investigations on this topic have considered theoretical scenarios, with little reference to case studies in the real world. This paper incorporates the use of spatially-variable precipitation data from a long-range radar in the simulation of the severe floods that impacted the city of Hull, U.K., in June 2007. This radar-based rainfall field is merged with rain gauge data using a Kriging with External Drift interpolation technique. The utility of this spatially-variable information is investigated through the comparison of computed flooded areas (uniform and radar against those registered by public authorities. Both results show similar skills at reproducing the real event, but differences in the total precipitated volumes, water depths and flooded areas are illustrated. It is envisaged that in urban areas and with the advent of higher resolution radars, these differences will be more important and call for further investigation.

  7. Simulating floods in the Amazon River Basin: Impacts of new river geomorphic and dynamic flow parameterizations

    Science.gov (United States)

    Coe, M. T.; Costa, M. H.; Howard, E. A.

    2006-12-01

    In this paper we analyze the hydrology of the Amazon River system for the latter half of the 20th century with our recently completed model of terrestrial hydrology (Terrestrial Hydrology Model with Biogeochemistry, THMB). We evaluate the simulated hydrology of the Central Amazon basin against limited observations of river discharge, floodplain inundation, and water height and analyze the spatial and temporal variability of the hydrology for the period 1939-1998. We compare the simulated discharge and floodplain inundated area to the simulations by Coe et al., 2002 using a previous version of this model. The new model simulates the discharge and flooded area in better agreement with the observations than the previous model. The coefficient of correlation between the simulated and observed discharge for the greater than 27000 monthly observations of discharge at 120 sites throughout the Brazilian Amazon is 0.9874 compared to 0.9744 for the previous model. The coefficient of correlation between the simulated monthly flooded area and the satellite-based estimates by Sippel et al., 1998 exceeds 0.7 for 8 of the 12 mainstem reaches. The seasonal and inter-annual variability of the water height and the river slope compares favorably to the satellite altimetric measurements of height reported by Birkett et al., 2002.

  8. An application of a hydraulic model simulator in flood risk assessment under changing climatic conditions

    Science.gov (United States)

    Doroszkiewicz, J. M.; Romanowicz, R. J.

    2016-12-01

    The standard procedure of climate change impact assessment on future hydrological extremes consists of a chain of consecutive actions, starting from the choice of GCM driven by an assumed CO2 scenario, through downscaling of climatic forcing to a catchment scale, estimation of hydrological extreme indices using hydrological modelling tools and subsequent derivation of flood risk maps with the help of a hydraulic model. Among many possible sources of uncertainty, the main are the uncertainties related to future climate scenarios, climate models, downscaling techniques and hydrological and hydraulic models. Unfortunately, we cannot directly assess the impact of these different sources of uncertainties on flood risk in future due to lack of observations of future climate realizations. The aim of this study is an assessment of a relative impact of different sources of uncertainty on the uncertainty of flood risk maps. Due to the complexity of the processes involved, an assessment of total uncertainty of maps of inundation probability might be very computer time consuming. As a way forward we present an application of a hydraulic model simulator based on a nonlinear transfer function model for the chosen locations along the river reach. The transfer function model parameters are estimated based on the simulations of the hydraulic model at each of the model cross-sections. The study shows that the application of a simulator substantially reduces the computer requirements related to the derivation of flood risk maps under future climatic conditions. Biala Tarnowska catchment, situated in southern Poland is used as a case study. Future discharges at the input to a hydraulic model are obtained using the HBV model and climate projections obtained from the EUROCORDEX project. The study describes a cascade of uncertainty related to different stages of the process of derivation of flood risk maps under changing climate conditions. In this context it takes into account the

  9. Chemical Flooding in Heavy-Oil Reservoirs: From Technical Investigation to Optimization Using Response Surface Methodology

    Directory of Open Access Journals (Sweden)

    Si Le Van

    2016-09-01

    Full Text Available Heavy-oil resources represent a large percentage of global oil and gas reserves, however, owing to the high viscosity, enhanced oil recovery (EOR techniques are critical issues for extracting this type of crude oil from the reservoir. According to the survey data in Oil & Gas Journal, thermal methods are the most widely utilized in EOR projects in heavy oil fields in the US and Canada, and there are not many successful chemical flooding projects for heavy oil reported elsewhere in the world. However, thermal methods such as steam injection might be restricted in cases of thin formations, overlying permafrost, or reservoir depths over 4500 ft, for which chemical flooding becomes a better option for recovering crude oil. Moreover, owing to the considerable fluctuations in the oil price, chemical injection plans should be employed consistently in terms of either technical or economic viewpoints. The numerical studies in this work aim to clarify the predominant chemical injection schemes among the various combinations of chemical agents involving alkali (A, surfactant (S and polymer (P for specific heavy-oil reservoir conditions. The feasibilities of all potential injection sequences are evaluated in the pre-evaluation stage in order to select the most efficient injection scheme according to the variation in the oil price which is based on practical market values. Finally, optimization procedures in the post-evaluation stage are carried out for the most economic injection plan by an effective mathematic tool with the purpose of gaining highest Net Present Value (NPV of the project. In technical terms, the numerical studies confirm the predominant performances of sequences in which alkali-surfactant-polymer (ASP solution is injected after the first preflushing water whereby the recovery factor can be higher than 47%. In particular, the oil production performances are improved by injecting a buffering viscous fluid right after the first chemical slug

  10. A hybrid method for flood simulation in small catchments combining hydrodynamic and hydrological techniques

    Science.gov (United States)

    Bellos, Vasilis; Tsakiris, George

    2016-09-01

    The study presents a new hybrid method for the simulation of flood events in small catchments. It combines a physically-based two-dimensional hydrodynamic model and the hydrological unit hydrograph theory. Unit hydrographs are derived using the FLOW-R2D model which is based on the full form of two-dimensional Shallow Water Equations, solved by a modified McCormack numerical scheme. The method is tested at a small catchment in a suburb of Athens-Greece for a storm event which occurred in February 2013. The catchment is divided into three friction zones and unit hydrographs of 15 and 30 min are produced. The infiltration process is simulated by the empirical Kostiakov equation and the Green-Ampt model. The results from the implementation of the proposed hybrid method are compared with recorded data at the hydrometric station at the outlet of the catchment and the results derived from the fully hydrodynamic model FLOW-R2D. It is concluded that for the case studied, the proposed hybrid method produces results close to those of the fully hydrodynamic simulation at substantially shorter computational time. This finding, if further verified in a variety of case studies, can be useful in devising effective hybrid tools for the two-dimensional flood simulations, which are lead to accurate and considerably faster results than those achieved by the fully hydrodynamic simulations.

  11. A Basis Function Approach to Simulate Storm Surge Events for Coastal Flood Risk Assessment

    Science.gov (United States)

    Wu, Wenyan; Westra, Seth; Leonard, Michael

    2017-04-01

    Storm surge is a significant contributor to flooding in coastal and estuarine regions, especially when it coincides with other flood producing mechanisms, such as extreme rainfall. Therefore, storm surge has always been a research focus in coastal flood risk assessment. Often numerical models have been developed to understand storm surge events for risk assessment (Kumagai et al. 2016; Li et al. 2016; Zhang et al. 2016) (Bastidas et al. 2016; Bilskie et al. 2016; Dalledonne and Mayerle 2016; Haigh et al. 2014; Kodaira et al. 2016; Lapetina and Sheng 2015), and assess how these events may change or evolve in the future (Izuru et al. 2015; Oey and Chou 2016). However, numeric models often require a lot of input information and difficulties arise when there are not sufficient data available (Madsen et al. 2015). Alternative, statistical methods have been used to forecast storm surge based on historical data (Hashemi et al. 2016; Kim et al. 2016) or to examine the long term trend in the change of storm surge events, especially under climate change (Balaguru et al. 2016; Oh et al. 2016; Rueda et al. 2016). In these studies, often the peak of surge events is used, which result in the loss of dynamic information within a tidal cycle or surge event (i.e. a time series of storm surge values). In this study, we propose an alternative basis function (BF) based approach to examine the different attributes (e.g. peak and durations) of storm surge events using historical data. Two simple two-parameter BFs were used: the exponential function and the triangular function. High quality hourly storm surge record from 15 tide gauges around Australia were examined. It was found that there are significantly location and seasonal variability in the peak and duration of storm surge events, which provides additional insights in coastal flood risk. In addition, the simple form of these BFs allows fast simulation of storm surge events and minimises the complexity of joint probability

  12. Interactive use of simulation models for collaborative knowledge construction: the case of flood policy decision-making

    NARCIS (Netherlands)

    Leskens, Anne

    2015-01-01

    There is an increasing use of interactive flood simulation models in work sessions with practitioners, which is supposed to be more effective than feeding static model results from conventional simulation models into the decision-making process. These interactive simulation models rely on fast and

  13. Numerical Simulation of CO2 Flooding of Coalbed Methane Considering the Fluid-Solid Coupling Effect.

    Directory of Open Access Journals (Sweden)

    Jianjun Liu

    Full Text Available CO2 flooding of coalbed methane (CO2-ECBM not only stores CO2 underground and reduces greenhouse gas emissions but also enhances the gas production ratio. This coupled process involves multi-phase fluid flow and coal-rock deformation, as well as processes such as competitive gas adsorption and diffusion from the coal matrix into fractures. A dual-porosity medium that consists of a matrix and fractures was built to simulate the flooding process, and a mathematical model was used to consider the competitive adsorption, diffusion and seepage processes and the interaction between flow and deformation. Due to the effects of the initial pressure and the differences in pressure variation during the production process, permeability changes caused by matrix shrinkage were spatially variable in the reservoir. The maximum value of permeability appeared near the production well, and the degree of rebound decreased with increasing distance from the production well.

  14. Simulation of Industrial Wastewater Treatment from the Suspended Impurities into the Flooded Waste Mining Workings

    Science.gov (United States)

    Bondareva, L.; Zakharov, Yu; Goudov, A.

    2017-04-01

    The paper is dedicated to the mathematical model of slurry wastewater treatment and disposal in a flooded mine working. The goal of the research is to develop and analyze the mathematical model of suspended impurities flow and distribution. Impurity sedimentation model is under consideration. Due to the sediment compaction problem solution domain can be modified. The model allows making a forecast whether volley emission is possible. Numerical simulation results for “Kolchuginskaya” coal mine presented. Impurity concentration diagrams in outflow corresponding to the real full-scale data obtained. Safely operation time mine workings like a wastewater treatment facility are estimated. The carried out calculations demonstrate that the method of industrial wastewater treatment in flooded waste mine workings can be put into practice but it is very important to observe all the processes going on to avoid volley emission of accumulated impurities.

  15. A predictive model of chemical flooding for enhanced oil recovery purposes: Application of least square support vector machine

    Directory of Open Access Journals (Sweden)

    Mohammad Ali Ahmadi

    2016-06-01

    Full Text Available Applying chemical flooding in petroleum reservoirs turns into interesting subject of the recent researches. Developing strategies of the aforementioned method are more robust and precise when they consider both economical point of views (net present value (NPV and technical point of views (recovery factor (RF. In the present study huge attempts are made to propose predictive model for specifying efficiency of chemical flooding in oil reservoirs. To gain this goal, the new type of support vector machine method which evolved by Suykens and Vandewalle was employed. Also, high precise chemical flooding data banks reported in previous works were employed to test and validate the proposed vector machine model. According to the mean square error (MSE, correlation coefficient and average absolute relative deviation, the suggested LSSVM model has acceptable reliability; integrity and robustness. Thus, the proposed intelligent based model can be considered as an alternative model to monitor the efficiency of chemical flooding in oil reservoir when the required experimental data are not available or accessible.

  16. Compound simulation of fluvial floods and storm surges in a global coupled river-coast flood model: Model development and its application to 2007 Cyclone Sidr in Bangladesh

    Science.gov (United States)

    Ikeuchi, Hiroaki; Hirabayashi, Yukiko; Yamazaki, Dai; Muis, Sanne; Ward, Philip J.; Winsemius, Hessel C.; Verlaan, Martin; Kanae, Shinjiro

    2017-08-01

    Water-related disasters, such as fluvial floods and cyclonic storm surges, are a major concern in the world's mega-delta regions. Furthermore, the simultaneous occurrence of extreme discharges from rivers and storm surges could exacerbate flood risk, compared to when they occur separately. Hence, it is of great importance to assess the compound risks of fluvial and coastal floods at a large scale, including mega-deltas. However, most studies on compound fluvial and coastal flooding have been limited to relatively small scales, and global-scale or large-scale studies have not yet addressed both of them. The objectives of this study are twofold: to develop a global coupled river-coast flood model; and to conduct a simulation of compound fluvial flooding and storm surges in Asian mega-delta regions. A state-of-the-art global river routing model was modified to represent the influence of dynamic sea surface levels on river discharges and water levels. We conducted the experiments by coupling a river model with a global tide and surge reanalysis data set. Results show that water levels in deltas and estuaries are greatly affected by the interaction between river discharge, ocean tides and storm surges. The effects of storm surges on fluvial flooding are further examined from a regional perspective, focusing on the case of Cyclone Sidr in the Ganges-Brahmaputra-Meghna Delta in 2007. Modeled results demonstrate that a >3 m storm surge propagated more than 200 km inland along rivers. We show that the performance of global river routing models can be improved by including sea level dynamics.

  17. Testing the Joint UK Land Environment Simulator (JULES) for flood forecasting

    Science.gov (United States)

    Batelis, Stamatios-Christos; Rosolem, Rafael; Han, Dawei; Rahman, Mostaquimur

    2017-04-01

    Land Surface Models (LSM) are based on physics principles and simulate the exchanges of energy, water and biogeochemical cycles between the land surface and lower atmosphere. Such models are typically applied for climate studies or effects of land use changes but as the resolution of LSMs and supporting observations are continuously increasing, its representation of hydrological processes need to be addressed adequately. For example, changes in climate and land use can alter the hydrology of a region, for instance, by altering its flooding regime. LSMs can be a powerful tool because of their ability to spatially represent a region with much finer resolution. However, despite such advantages, its performance has not been extensively assessed for flood forecasting simply because its representation of typical hydrological processes, such as overland flow and river routing, are still either ignored or roughly represented. In this study, we initially test the Joint UK Land Environment Simulator (JULES) as a flood forecast tool focusing on its river routing scheme. In particular, JULES river routing parameterization is based on the Rapid Flow Model (RFM) which relies on six prescribed parameters (two surface and two subsurface wave celerities, and two return flow fractions). Although this routing scheme is simple, the prescription of its six default parameters is still too generalized. Our aim is to understand the importance of each RFM parameter in a series of JULES simulations at a number of catchments in the UK for the 2006-2015 period. This is carried out, for instance, by making a number of assumptions of parameter behaviour (e.g., spatially uniform versus varying and/or temporally constant or time-varying parameters within each catchment). Hourly rainfall radar in combination with the CHESS (Climate, Hydrological and Ecological research Support System) meteorological daily data both at 1 km2 resolution are used. The evaluation of the model is based on hourly runoff

  18. Global SWOT Data Assimilation of River Hydrodynamic Model; the Twin Simulation Test of CaMa-Flood

    Science.gov (United States)

    Ikeshima, D.; Yamazaki, D.; Kanae, S.

    2016-12-01

    CaMa-Flood is a global scale model for simulating hydrodynamics in large scale rivers. It can simulate river hydrodynamics such as river discharge, flooded area, water depth and so on by inputting water runoff derived from land surface model. Recently many improvements at parameters or terrestrial data are under process to enhance the reproducibility of true natural phenomena. However, there are still some errors between nature and simulated result due to uncertainties in each model. SWOT (Surface water and Ocean Topography) is a satellite, which is going to be launched in 2021, can measure open water surface elevation. SWOT observed data can be used to calibrate hydrodynamics model at river flow forecasting and is expected to improve model's accuracy. Combining observation data into model to calibrate is called data assimilation. In this research, we developed data-assimilated river flow simulation system in global scale, using CaMa-Flood as river hydrodynamics model and simulated SWOT as observation data. Generally at data assimilation, calibrating "model value" with "observation value" makes "assimilated value". However, the observed data of SWOT satellite will not be available until its launch in 2021. Instead, we simulated the SWOT observed data using CaMa-Flood. Putting "pure input" into CaMa-Flood produce "true water storage". Extracting actual daily swath of SWOT from "true water storage" made simulated observation. For "model value", we made "disturbed water storage" by putting "noise disturbed input" to CaMa-Flood. Since both "model value" and "observation value" are made by same model, we named this twin simulation. At twin simulation, simulated observation of "true water storage" is combined with "disturbed water storage" to make "assimilated value". As the data assimilation method, we used ensemble Kalman filter. If "assimilated value" is closer to "true water storage" than "disturbed water storage", the data assimilation can be marked effective. Also

  19. Performance of aged cement - polymer composite immobilizing borate waste simulates during flooding scenarios

    International Nuclear Information System (INIS)

    Eskander, S.B.; Bayoumi, T.A.; Saleh, H.M.

    2012-01-01

    An advanced composite of cement and water extended polyester based on the recycled Poly(ethylene terephthalate) waste was developed to incorporate the borate waste. Previous studies have reported the characterizations of the waste composite (cement-polymer composite immobilizing borate waste simulates) after 28 days of curing time. The current work studied the performance of waste composite aged for seven years and subjected to flooding scenario during 260 days using three types of water. The state of waste composite was assessed at the end of each definite interval of the water infiltration through visual examination and mechanical measurement. Scanning electron microscopy, infrared spectroscopy, X-ray diffraction and thermal analyses were used to investigate the changes that may occur in the microstructure of the waste composite under aging and flooding effects. The actual experimental results indicated reasonable evidence for the waste composite. Acceptable consistency was confirmed for the waste composite even after aging seven years and exposure to flooding scenario for 260 days.

  20. Simulation of dambreak flood with erosion effects (CEA R and D Project 718-G-641)

    International Nuclear Information System (INIS)

    Ko, P.Y.

    1990-01-01

    Most existing mathematical models applicable to dambreak analysis assume the river channel to be rigid. In reality, during the passage of dambreak waves, the banks and the bed of the valley will be eroded by the flood waves, affecting flood levels. A study was carried out to produce a numerical model suitable for use on a personal computer for the simulation of the dambreak wave along erosion-prone channels. The following features were determined to be essential: nonuniform and non-equilibrium transport of graded sediment should be considered; the user should be able to use the sediment transport function of choice; channel roughness should reflect the change of the river channel; armoring of the channel bed should be included; and bank erosion should be considered. Details are given of the mathematical analysis of dam failure, dynamic flood routing, and sediment routing. Preliminary testing showed that the model is usable to perform routing of a dambreak wave along an erodible river channel. Additional options may be added which include various hydraulic structures, description of debris flow, etc. With the inclusion of a width adjustment algorithm, it is able to estimate the vulnerability of river banks, which will be important for civil protection agencies in the preparation of emergency preparedness plans. 23 refs., 7 figs

  1. Merging LIDAR digital terrain model with direct observed elevation points for urban flood numerical simulation

    Science.gov (United States)

    Arrighi, Chiara; Campo, Lorenzo

    2017-04-01

    In last years, the concern about the economical and lives loss due to urban floods has grown hand in hand with the numerical skills in simulating such events. The large amount of computational power needed in order to address the problem (simulating a flood in a complex terrain such as a medium-large city) is only one of the issues. Among them it is possible to consider the general lack of exhaustive observations during the event (exact extension, dynamic, water level reached in different parts of the involved area), needed for calibration and validation of the model, the need of considering the sewers effects, and the availability of a correct and precise description of the geometry of the problem. In large cities the topographic surveys are in general available with a number of points, but a complete hydraulic simulation needs a detailed description of the terrain on the whole computational domain. LIDAR surveys can achieve this goal, providing a comprehensive description of the terrain, although they often lack precision. In this work an optimal merging of these two sources of geometrical information, measured elevation points and LIDAR survey, is proposed, by taking into account the error variance of both. The procedure is applied to a flood-prone city over an area of 35 square km approximately starting with a DTM from LIDAR with a spatial resolution of 1 m, and 13000 measured points. The spatial pattern of the error (LIDAR vs points) is analysed, and the merging method is tested with a series of Jackknife procedures that take into account different densities of the available points. A discussion of the results is provided.

  2. Numerical simulation of the floods in Villahermosa Mexico using the IBER code

    Directory of Open Access Journals (Sweden)

    J.C. González-Aguirre

    2016-10-01

    Full Text Available Floods are a problem that may occur in many parts of the world, but in certain places it happens more frequently, for example in Villahermosa, Mexico, which can be confirmed with the floods of 2000, 2007, 2009 and 2010. In this work the IBER code is used (freely available at http://www.iberaula.es to recreate the scenarios occurred in October 2007, and the numerical results are compared with data provided/collected by CONAGUA in the Hydrometeorological station Gaviotas. The scenarios of the 1st October, 30th October and 31st October were simulated. A steady state was obtained in the simulation of the 1st October, this state was used as initial condition for the simulation of the 30th October, in which are reproduced the conditions of the 31st October. In addition, a sensibility analysis was carried out for the wetting drying parameter and the Courant number.

  3. Assessment of mean annual flood damage using simple hydraulic modeling and Monte Carlo simulation

    Science.gov (United States)

    Oubennaceur, K.; Agili, H.; Chokmani, K.; Poulin, J.; Marceau, P.

    2016-12-01

    Floods are the most frequent and the most damaging natural disaster in Canada. The issue of assessing and managing the risk related to this disaster has become increasingly crucial for both local and national authorities. Brigham, a municipality located in southern Quebec Province, is one of the heavily affected regions by this disaster because of frequent overflows of the Yamaska River reaching two to three times per year. Since Irene Hurricane which struck the region in 2011, causing considerable socio-economic damage, the implementation of mitigation measures has become a major priority for this municipality. To do this, a preliminary study to evaluate the risk to which this region is exposed is essential. Conventionally, approaches only based on the characterization of the hazard (e.g. floodplains extensive, flood depth) are generally adopted to study the risk of flooding. In order to improve the knowledge of this risk, a Monte Carlo simulation approach combining information on the hazard with vulnerability-related aspects has been developed. This approach integrates three main components: (1) hydrologic modelling aiming to establish a probability-discharge function which associate each measured discharge to its probability of occurrence (2) hydraulic modeling that aims to establish the relationship between the discharge and the water stage at each building (3) damage study that aims to assess the buildings damage using damage functions. The damage is estimated according to the water depth defined as the difference between the water level and the elevation of the building's first floor. The application of the proposed approach allows estimating the annual average cost of damage caused by floods on buildings. The obtained results will be useful for authorities to support their decisions on risk management and prevention against this disaster.

  4. Modeling of Flood Mitigation Structures for Sarawak River Sub-basin Using Info Works River Simulation (RS)

    OpenAIRE

    Rosmina Bustami; Charles Bong; Darrien Mah; Afnie Hamzah; Marina Patrick

    2009-01-01

    The distressing flood scenarios that occur in recent years at the surrounding areas of Sarawak River have left damages of properties and indirectly caused disruptions of productive activities. This study is meant to reconstruct a 100-year flood event that took place in this river basin. Sarawak River Subbasin was chosen and modeled using the one-dimensional hydrodynamic modeling approach using InfoWorks River Simulation (RS), in combination with Geographical Information S...

  5. Uncertainties of flood frequency estimation approaches based on continuous simulation using data resampling

    Science.gov (United States)

    Arnaud, Patrick; Cantet, Philippe; Odry, Jean

    2017-11-01

    Flood frequency analyses (FFAs) are needed for flood risk management. Many methods exist ranging from classical purely statistical approaches to more complex approaches based on process simulation. The results of these methods are associated with uncertainties that are sometimes difficult to estimate due to the complexity of the approaches or the number of parameters, especially for process simulation. This is the case of the simulation-based FFA approach called SHYREG presented in this paper, in which a rainfall generator is coupled with a simple rainfall-runoff model in an attempt to estimate the uncertainties due to the estimation of the seven parameters needed to estimate flood frequencies. The six parameters of the rainfall generator are mean values, so their theoretical distribution is known and can be used to estimate the generator uncertainties. In contrast, the theoretical distribution of the single hydrological model parameter is unknown; consequently, a bootstrap method is applied to estimate the calibration uncertainties. The propagation of uncertainty from the rainfall generator to the hydrological model is also taken into account. This method is applied to 1112 basins throughout France. Uncertainties coming from the SHYREG method and from purely statistical approaches are compared, and the results are discussed according to the length of the recorded observations, basin size and basin location. Uncertainties of the SHYREG method decrease as the basin size increases or as the length of the recorded flow increases. Moreover, the results show that the confidence intervals of the SHYREG method are relatively small despite the complexity of the method and the number of parameters (seven). This is due to the stability of the parameters and takes into account the dependence of uncertainties due to the rainfall model and the hydrological calibration. Indeed, the uncertainties on the flow quantiles are on the same order of magnitude as those associated with

  6. Characterization of flood and precipitation events in Southwestern Germany and stochastic simulation of extreme precipitation (Project FLORIS-SV)

    Science.gov (United States)

    Florian, Ehmele; Michael, Kunz

    2016-04-01

    Several major flood events occurred in Germany in the past 15-20 years especially in the eastern parts along the rivers Elbe and Danube. Examples include the major floods of 2002 and 2013 with an estimated loss of about 2 billion Euros each. The last major flood events in the State of Baden-Württemberg in southwest Germany occurred in the years 1978 and 1993/1994 along the rivers Rhine and Neckar with an estimated total loss of about 150 million Euros (converted) each. Flood hazard originates from a combination of different meteorological, hydrological and hydraulic processes. Currently there is no defined methodology available for evaluating and quantifying the flood hazard and related risk for larger areas or whole river catchments instead of single gauges. In order to estimate the probable maximum loss for higher return periods (e.g. 200 years, PML200), a stochastic model approach is designed since observational data are limited in time and space. In our approach, precipitation is linearly composed of three elements: background precipitation, orographically-induces precipitation, and a convectively-driven part. We use linear theory of orographic precipitation formation for the stochastic precipitation model (SPM), which is based on fundamental statistics of relevant atmospheric variables. For an adequate number of historic flood events, the corresponding atmospheric conditions and parameters are determined in order to calculate a probability density function (pdf) for each variable. This method involves all theoretically possible scenarios which may not have happened, yet. This work is part of the FLORIS-SV (FLOod RISk Sparkassen Versicherung) project and establishes the first step of a complete modelling chain of the flood risk. On the basis of the generated stochastic precipitation event set, hydrological and hydraulic simulations will be performed to estimate discharge and water level. The resulting stochastic flood event set will be used to quantify the

  7. Multi-catchment rainfall-runoff simulation for extreme flood estimation

    Science.gov (United States)

    Paquet, Emmanuel

    2017-04-01

    The SCHADEX method (Paquet et al., 2013) is a reference method in France for the estimation of extreme flood for dam design. The method is based on a semi-continuous rainfall-runoff simulation process: hundreds of different rainy events, randomly drawn up to extreme values, are simulated independently in the hydrological conditions of each day when a rainy event has been actually observed. This allows generating an exhaustive set of crossings between precipitation and soil saturation hazards, and to build a complete distribution of flood discharges up to extreme quantiles. The hydrological model used within SCHADEX, the MORDOR model (Garçon, 1996), is a lumped model, which implies that hydrological processes, e.g. rainfall and soil saturation, are supposed to be homogeneous throughout the catchment. Snow processes are nevertheless represented in relation with altitude. This hypothesis of homogeneity is questionable especially as the size of the catchment increases, or in areas of highly contrasted climatology (like mountainous areas). Conversely, modeling the catchment with a fully distributed approach would cause different problems, in particular distributing the rainfall-runoff model parameters trough space, and within the SCHADEX stochastic framework, generating extreme rain fields with credible spatio-temporal features. An intermediate solution is presented here. It provides a better representation of the hydro-climatic diversity of the studied catchment (especially regarding flood processes) while keeping the SCHADEX simulation framework. It consists in dividing the catchment in several, more homogeneous sub-catchments. Rainfall-runoff models are parameterized individually for each of them, using local discharge data if available. A first SCHADEX simulation is done at the global scale, which allows assigning a probability to each simulated event, mainly based on the global areal rainfall drawn for the event (see Paquet el al., 2013 for details). Then the

  8. Assessment of Remote Sensing Products and Hydrologic Simulation of the 2016 Louisiana Flood in the Amite River Basin

    Science.gov (United States)

    Gao, S.; Bilskie, M. V.; Hagen, S. C.; Braud, D.

    2017-12-01

    Riverine and coastal flooding are one of the most common environmental hazards that affect millions of people around the world. For example, in August 2016, a slow-moving upper level low-pressure system with a high amount of atmospheric moisture brought heavy rains from August 11 to August 13. The torrential downpours led to widespread flash flooding and river flooding across multiple parishes in Southeast Louisiana and Southwest Mississippi (NWS, 2016; Watson et al., 2017). Precipitation totals as high as 26 inches were recorded during the two-day event. A Louisiana Economic Development report documented that the state of Louisiana suffered more than eight billion dollars in damage from the catastrophic flooding (LED, 2016). According to the National Weather Service (NWS) in New Orleans, the rainfall caused the Amite River, Comite River, Tangipahoa River and Tickfaw River to rise to record-setting levels. Some of the most serious flooding occurred along the Amite River, which runs between Baton Rouge and the nearby city of Denham Springs, and has its headwaters in southwestern Mississippi and drains into Lake Maurepas (Mossa et al., 1997). To develop an understanding of the driving mechanisms that caused the catastrophic flooding a campaign was initiated to collect and rigorously examine all possible remote sensing products in order to derive the flooding extent and depth within the Amite River basin. In addition, a Soil and Water Assessment Tool (SWAT) has been developed for the Amite River watershed to simulate runoff from the 2016 Louisiana flood event. The developed and assimilated remote sensing and modeling products will enhance understanding of the hydrological processes within the Amite River basin. This will provide further insight into conceptualization of flood risk across river deltas that are vulnerable to both riverine and coastal flooding. Reference:LED. (2016). The economic impact of the august 2016 floods on the state of Louisiana. Mossa, J., & Mc

  9. Investigation of Chemical-Foam Design as a Novel Approach toward Immiscible Foam Flooding for Enhanced Oil Recovery.

    Science.gov (United States)

    Hosseini-Nasab, S M; Zitha, P L J

    2017-10-19

    Strong foam can be generated in porous media containing oil, resulting in incremental oil recovery; however, oil recovery factor is restricted. A large fraction of oil recovered by foam flooding forms an oil-in-water emulsion, so that costly methods may need to be used to separate the oil. Moreover, strong foam could create a large pressure gradient, which may cause fractures in the reservoir. This study presents a novel chemical-foam flooding process for enhanced oil recovery (EOR) from water-flooded reservoirs. The presented method involved the use of chemically designed foam to mobilize the remaining oil after water flooding and then to displace the mobilized oil to the production well. A blend of two anionic surfactant formulations was formulated for this method: (a) IOS, for achieving ultralow interfacial tension (IFT), and (b) AOS, for generating a strong foam. Experiments were performed using Bentheimer sandstone cores, where X-ray CT images were taken during foam generation to find the stability of the advancing front of foam propagation and to map the gas saturation for both the transient and the steady-state flow regimes. Then the proposed chemical-foam strategy for incremental oil recovery was tested through the coinjection of immiscible nitrogen gas and surfactant solutions with three different formulation properties in terms of IFT reduction and foaming strength capability. The discovered optimal formulation contains a foaming agent surfactant, a low IFT surfactant, and a cosolvent, which has a high foam stability and a considerably low IFT (1.6 × 10 -2 mN/m). Coinjection resulted in higher oil recovery and much less MRF than the same process with only using a foaming agent. The oil displacement experiment revealed that coinjection of gas with a blend of surfactants, containing a cosolvent, can recover a significant amount of oil (33% OIIP) over water flooding with a larger amount of clean oil and less emulsion.

  10. Simulation of rainfall-runoff for major flash flood events in Karachi

    Science.gov (United States)

    Zafar, Sumaira

    2016-07-01

    Metropolitan city Karachi has strategic importance for Pakistan. With the each passing decade the city is facing urban sprawl and rapid population growth. These rapid changes directly affecting the natural resources of city including its drainage pattern. Karachi has three major cities Malir River with the catchment area of 2252 sqkm and Lyari River has catchment area about 470.4 sqkm. These are non-perennial rivers and active only during storms. Change of natural surfaces into hard pavement causing an increase in rainfall-runoff response. Curve Number is increased which is now causing flash floods in the urban locality of Karachi. There is only one gauge installed on the upstream of the river but there no record for the discharge. Only one gauge located at the upstream is not sufficient for discharge measurements. To simulate the maximum discharge of Malir River rainfall (1985 to 2014) data were collected from Pakistan meteorological department. Major rainfall events use to simulate the rainfall runoff. Maximum rainfall-runoff response was recorded in during 1994, 2007 and 2013. This runoff causes damages and inundation in floodplain areas of Karachi. These flash flooding events not only damage the property but also cause losses of lives

  11. Experiences on dynamic simulation software in chemical engineering education

    DEFF Research Database (Denmark)

    Komulainen, Tiina M.; Enemark-rasmussen, Rasmus; Sin, Gürkan

    2012-01-01

    Commercial process simulators are increasing interest in the chemical engineer education. In this paper, the use of commercial dynamic simulation software, D-SPICE® and K-Spice®, for three different chemical engineering courses is described and discussed. The courses cover the following topics...

  12. Effect of flood-induced chemical load on filtrate quality at bank filtration sites

    Science.gov (United States)

    Ray, C.; Soong, T.W.; Lian, Y.Q.; Roadcap, G.S.

    2002-01-01

    Riparian municipal wells, that are located on riverbanks, are specifically designed to capture a portion of the river water through induced infiltration. Runoff from agricultural watersheds is found to carry enormous amounts of pesticides and nitrate. While the risk of contamination for a vast majority of sites with small-capacity vertical wells is low, potential exists for medium to large capacity collector wells to capture a fraction of the surface water contaminants during flood. Prior monitoring and current modeling results indicate that a small-capacity (peak pumpage 0.0315 m3/s) vertical bank filtration well may not be affected by river water nitrate and atrazine even during flood periods. For a medium capacity (0.0875-0.175 m3/s) hypothetical collector well at the same site, potential exists for a portion of the river water nitrate and atrazine to enter the well during flood periods. Various combinations of hydraulic conductivity of the riverbed or bank material were used. For nitrate, it was assumed either no denitrification occurred during the period of simulation or a half-life of 2 years. Equilibrium controlled sorption (organic carbon partition coefficient of 52 ml/g) and a half-life of between 7.5 and 15 weeks were considered for atrazine. Combinations of these parameters were used in various simulations. Peak concentrations of atrazine or nitrate in pumped water could vary from less than 1% to as high as 90% of that in the river. It was found that a combination of river stage, pumping rates, hydraulic properties of the riverbed and bank, and soil/pesticide properties could affect contaminant entry from river water to any of these wells. If the hydraulic conductivity of the bed and bank material were low, atrazine would not reach the pumping well with or without sorption and degradation. However, for moderately low permeable bank and bed materials, some atrazine from river water could enter a hypothetical collector well while pumping at 0.0875 m3/s. It

  13. Assessment of urban pluvial flood risk and efficiency of adaptation options through simulations - A new generation of urban planning tools

    Science.gov (United States)

    Löwe, Roland; Urich, Christian; Sto. Domingo, Nina; Mark, Ole; Deletic, Ana; Arnbjerg-Nielsen, Karsten

    2017-07-01

    We present a new framework for flexible testing of flood risk adaptation strategies in a variety of urban development and climate scenarios. This framework couples the 1D-2D hydrodynamic simulation package MIKE FLOOD with the agent-based urban development model DAnCE4Water and provides the possibility to systematically test various flood risk adaptation measures ranging from large infrastructure changes over decentralised water management to urban planning policies. We have tested the framework in a case study in Melbourne, Australia considering 9 scenarios for urban development and climate and 32 potential combinations of flood adaptation measures. We found that the performance of adaptation measures strongly depended on the considered climate and urban development scenario and the other implementation measures implemented, suggesting that adaptive strategies are preferable over one-off investments. Urban planning policies proved to be an efficient means for the reduction of flood risk, while implementing property buyback and pipe increases in a guideline-oriented manner was too costly. Random variations in location and time point of urban development could have significant impact on flood risk and would in some cases outweigh the benefits of less efficient adaptation strategies. The results of our setup can serve as an input for robust decision making frameworks and thus support the identification of flood risk adaptation measures that are economically efficient and robust to variations of climate and urban layout.

  14. WRF model for precipitation simulation and its application in real-time flood forecasting in the Jinshajiang River Basin, China

    Science.gov (United States)

    Zhou, Jianzhong; Zhang, Hairong; Zhang, Jianyun; Zeng, Xiaofan; Ye, Lei; Liu, Yi; Tayyab, Muhammad; Chen, Yufan

    2017-07-01

    An accurate flood forecasting with long lead time can be of great value for flood prevention and utilization. This paper develops a one-way coupled hydro-meteorological modeling system consisting of the mesoscale numerical weather model Weather Research and Forecasting (WRF) model and the Chinese Xinanjiang hydrological model to extend flood forecasting lead time in the Jinshajiang River Basin, which is the largest hydropower base in China. Focusing on four typical precipitation events includes: first, the combinations and mode structures of parameterization schemes of WRF suitable for simulating precipitation in the Jinshajiang River Basin were investigated. Then, the Xinanjiang model was established after calibration and validation to make up the hydro-meteorological system. It was found that the selection of the cloud microphysics scheme and boundary layer scheme has a great impact on precipitation simulation, and only a proper combination of the two schemes could yield accurate simulation effects in the Jinshajiang River Basin and the hydro-meteorological system can provide instructive flood forecasts with long lead time. On the whole, the one-way coupled hydro-meteorological model could be used for precipitation simulation and flood prediction in the Jinshajiang River Basin because of its relatively high precision and long lead time.

  15. Research on Multi Hydrological Models Applicability and Modelling Data Uncertainty Analysis for Flash Flood Simulation in Hilly Area

    Science.gov (United States)

    Ye, L.; Wu, J.; Wang, L.; Song, T.; Ji, R.

    2017-12-01

    Flooding in small-scale watershed in hilly area is characterized by short time periods and rapid rise and recession due to the complex underlying surfaces, various climate type and strong effect of human activities. It is almost impossible for a single hydrological model to describe the variation of flooding in both time and space accurately for all the catchments in hilly area because the hydrological characteristics can vary significantly among different catchments. In this study, we compare the performance of 5 hydrological models with varying degrees of complexity for simulation of flash flood for 14 small-scale watershed in China in order to find the relationship between the applicability of the hydrological models and the catchments characteristics. Meanwhile, given the fact that the hydrological data is sparse in hilly area, the effect of precipitation data, DEM resolution and their interference on the uncertainty of flood simulation is also illustrated. In general, the results showed that the distributed hydrological model (HEC-HMS in this study) performed better than the lumped hydrological models. Xinajiang and API models had good simulation for the humid catchments when long-term and continuous rainfall data is provided. Dahuofang model can simulate the flood peak well while the runoff generation module is relatively poor. In addition, the effect of diverse modelling data on the simulations is not simply superposed, and there is a complex interaction effect among different modelling data. Overall, both the catchment hydrological characteristics and modelling data situation should be taken into consideration in order to choose the suitable hydrological model for flood simulation for small-scale catchment in hilly area.

  16. Simulating a 40-year flood event climatology of Australia with a view to ocean-land teleconnections

    Science.gov (United States)

    Schumann, Guy J.-P.; Andreadis, Konstantinos; Stampoulis, Dimitrios; Bates, Paul

    2015-04-01

    We develop, for the first time, a proof-of-concept version for a high-resolution global flood inundation model to generate a flood inundation climatology of the past 40 years (1973-2012) for the entire Australian continent at a native 1 km resolution. The objectives of our study includes (1) deriving an inundation climatology for a continent (Australia) as a demonstrator case to understand the requirements for expanding globally; (2) developing a test bed to assess the potential and value of current and future satellite missions (GRACE, SMAP, ICESat-2, AMSR-2, Sentinels and SWOT) in flood monitoring; and (3) answering science questions such as the linking of inundation to ocean circulation teleconnections. We employ the LISFLOOD-FP hydrodynamic model to generate a flood inundation climatology. The model will be built from freely available SRTM-derived data (channel widths, bank heights and floodplain topography corrected for vegetation canopy using ICESat canopy heights). Lakes and reservoirs are represented and channel hydraulics are resolved using actual channel data with bathymetry inferred from hydraulic geometry. Simulations are run with gauged flows and floodplain inundation climatology are compared to observations from GRACE, flood maps from Landsat, SAR, and MODIS. Simulations have been completed for the entire Australian continent. Additionally, changes in flood inundation have been correlated with indices related to global ocean circulation, such as the El Niño Southern Oscillation index. We will produce data layers on flood event climatology and other derived (default) products from the proposed model including channel and floodplain depths, flow direction, velocity vectors, floodplain water volume, shoreline extent and flooded area. These data layers will be in the form of simple vector and raster formats. Since outputs will be large in size we propose to upload them onto Google Earth under the GEE API license.

  17. BIOCHEM-ORCHESTRA: A tool for evaluating chemical speciation and ecotoxicological impacts of heavy metals on river flood plain systems

    International Nuclear Information System (INIS)

    Vink, J.P.M.; Meeussen, J.C.L.

    2007-01-01

    The chemical speciation model BIOCHEM was extended with ecotoxicological transfer functions for uptake of metals (As, Cd, Cu, Ni, Pb, and Zn) by plants and soil invertebrates. It was coupled to the object-oriented framework ORCHESTRA to achieve a flexible and dynamic decision support system (DSS) to analyse natural or anthropogenic changes that occur in river systems. The DSS uses the chemical characteristics of soils and sediments as input, and calculates speciation and subsequent uptake by biota at various scenarios. Biotic transfer functions were field-validated, and actual hydrological conditions were derived from long-term monitoring data. The DSS was tested for several scenarios that occur in the Meuse catchment areas, such as flooding and sedimentation of riverine sediments on flood plains. Risks are expressed in terms of changes in chemical mobility, and uptake by flood plain key species (flora and fauna). - A diagnostic risk-assessment tool for heavy metals, based on biotic and abiotic interactions, compares risks under different environmental scenarios

  18. Evaluating the use of different precipitation datasets in simulating a flood event

    Science.gov (United States)

    Akyurek, Z.; Ozkaya, A.

    2016-12-01

    Floods caused by convective storms in mountainous regions are sensitive to the temporal and spatial variability of rainfall. Space-time estimates of rainfall from weather radar, satellites and numerical weather prediction models can be a remedy to represent pattern of the rainfall with some inaccuracy. However, there is a strong need for evaluation of the performance and limitations of these estimates in hydrology. This study aims to provide a comparison of gauge, radar, satellite (Hydro-Estimator (HE)) and numerical weather prediciton model (Weather Research and Forecasting (WRF)) precipitation datasets during an extreme flood event (22.11.2014) lasting 40 hours in Samsun-Turkey. For this study, hourly rainfall data from 13 ground observation stations were used in the analyses. This event having a peak discharge of 541 m3/sec created flooding at the downstream of Terme Basin. Comparisons were performed in two parts. First the analysis were performed in areal and point based manner. Secondly, a semi-distributed hydrological model was used to assess the accuracy of the rainfall datasets to simulate river flows for the flood event. Kalman Filtering was used in the bias correction of radar rainfall data compared to gauge measurements. Radar, gauge, corrected radar, HE and WRF rainfall data were used as model inputs. Generally, the HE product underestimates the cumulative rainfall amounts in all stations, radar data underestimates the results in cumulative sense but keeps the consistency in the results. On the other hand, almost all stations in WRF mean statistics computations have better results compared to the HE product but worse than the radar dataset. Results in point comparisons indicated that, trend of the rainfall is captured by the radar rainfall estimation well but radar underestimates the maximum values. According to cumulative gauge value, radar underestimated the cumulative rainfall amount by % 32. Contrary to other datasets, the bias of WRF is positive

  19. Floods and Flash Flooding

    Science.gov (United States)

    Floods and flash flooding Now is the time to determine your area’s flood risk. If you are not sure whether you ... If you are in a floodplain, consider buying flood insurance. Do not drive around barricades. If your ...

  20. Simulation of polymer flooding in one of the Iranian oil fields

    Directory of Open Access Journals (Sweden)

    Mehdi Mohammad Salehi

    2017-06-01

    This study shows the optimum concentration of Nano clay could improve polymer properties. Results also show that the polymer flooding scenario has higher oil recovery in comparison to other displacement methods such as natural depletion and water flooding.

  1. VPPD Lab - The Chemical Product Simulator

    DEFF Research Database (Denmark)

    Kalakul, Sawitree; Hussain, Rehan; Elbashir, Nimir

    2015-01-01

    , detergent, etc.). It has interface to identify workflow/data-flow for the inter-related activities between knowledge-based system and model-based calculation procedures to systematically, efficiently and robustly solve various types of product design-analysis problems. The application of the software......In this paper, the development of a systematic model-based framework for product design, implemented in the new product design software called VPPD-Lab is presented. This framework employs its in-house knowledge-based system to design and evaluate chemical products. The built-in libraries...... of product performance models and product-chemical property models are used to evaluate different classes of product. The product classes are single molecular structure chemicals (lipids, solvents, aroma, etc.), blended products (gasoline, jet-fuels, lubricants, etc.), and emulsified product (hand wash...

  2. Flood Simulation Using WMS Model in Small Watershed after Strong Earthquake -A Case Study of Longxihe Watershed, Sichuan province, China

    Science.gov (United States)

    Guo, B.

    2017-12-01

    Mountain watershed in Western China is prone to flash floods. The Wenchuan earthquake on May 12, 2008 led to the destruction of surface, and frequent landslides and debris flow, which further exacerbated the flash flood hazards. Two giant torrent and debris flows occurred due to heavy rainfall after the earthquake, one was on August 13 2010, and the other on August 18 2010. Flash floods reduction and risk assessment are the key issues in post-disaster reconstruction. Hydrological prediction models are important and cost-efficient mitigation tools being widely applied. In this paper, hydrological observations and simulation using remote sensing data and the WMS model are carried out in the typical flood-hit area, Longxihe watershed, Dujiangyan City, Sichuan Province, China. The hydrological response of rainfall runoff is discussed. The results show that: the WMS HEC-1 model can well simulate the runoff process of small watershed in mountainous area. This methodology can be used in other earthquake-affected areas for risk assessment and to predict the magnitude of flash floods. Key Words: Rainfall-runoff modeling. Remote Sensing. Earthquake. WMS.

  3. Using remotely sensed data and stochastic models to simulate realistic flood hazard footprints across the continental US

    Science.gov (United States)

    Bates, P. D.; Quinn, N.; Sampson, C. C.; Smith, A.; Wing, O.; Neal, J. C.

    2017-12-01

    Remotely sensed data has transformed the field of large scale hydraulic modelling. New digital elevation, hydrography and river width data has allowed such models to be created for the first time, and remotely sensed observations of water height, slope and water extent has allowed them to be calibrated and tested. As a result, we are now able to conduct flood risk analyses at national, continental or even global scales. However, continental scale analyses have significant additional complexity compared to typical flood risk modelling approaches. Traditional flood risk assessment uses frequency curves to define the magnitude of extreme flows at gauging stations. The flow values for given design events, such as the 1 in 100 year return period flow, are then used to drive hydraulic models in order to produce maps of flood hazard. Such an approach works well for single gauge locations and local models because over relatively short river reaches (say 10-60km) one can assume that the return period of an event does not vary. At regional to national scales and across multiple river catchments this assumption breaks down, and for a given flood event the return period will be different at different gauging stations, a pattern known as the event `footprint'. Despite this, many national scale risk analyses still use `constant in space' return period hazard layers (e.g. the FEMA Special Flood Hazard Areas) in their calculations. Such an approach can estimate potential exposure, but will over-estimate risk and cannot determine likely flood losses over a whole region or country. We address this problem by using a stochastic model to simulate many realistic extreme event footprints based on observed gauged flows and the statistics of gauge to gauge correlations. We take the entire USGS gauge data catalogue for sites with > 45 years of record and use a conditional approach for multivariate extreme values to generate sets of flood events with realistic return period variation in

  4. Numerical simulation of pore pressure changes in levee under flood conditions

    Science.gov (United States)

    Stanisz, Jacek; Borecka, Aleksandra; Pilecki, Zenon; Kaczmarczyk, Robert

    2017-11-01

    The article discusses the potential for using numerical simulation to assess the development of deformation and pore pressure changes in a levee as a result of the increase and decrease of the flood wave. The simulation made in FLAC 2D did not take into account the filter-erosion deformation associated with seepage in the levee. The simulations were carried out for a field experimental storage consisting of two combined levees, which was constructed with the help of homogeneous cohesive materials with different filtration coefficients. Calculated and measured pore pressure changes were analysed at 4 monitoring points. The water level was increased to 4 m in 96 hours and decreased in 120 hours. The characteristics of the calculated and measured pore pressure changes over time were similar. The maximum values of the calculated and measured pore pressure were almost identical. The only differences were the greater delay of the experimental levee response to changes in water level increase compared to the response of the numerical model. These differences were probably related to filtering-erosion effects during seepage in the levee.

  5. Model simulations of potential contribution of the proposed Huangpu Gate to flood control in the Lake Taihu basin of China

    Science.gov (United States)

    Zhang, Hanghui; Liu, Shuguang; Ye, Jianchun; Yeh, Pat J.-F.

    2017-10-01

    The Lake Taihu basin (36 895 km2), one of the most developed regions in China located in the hinterland of the Yangtze River Delta, has experienced increasing flood risk. The largest flood in history occurred in 1999 with a return period estimate of 200 years, considerably larger than the current capacity of the flood defense with a design return period of 50 years. Due to its flat saucer-like terrain, the capacity of the flood control system in this basin depends on flood control infrastructures and peripheral tidal conditions. The Huangpu River, an important river of the basin connecting Lake Taihu upstream and Yangtze River estuaries downstream, drains two-fifths of the entire basin. Since the water level in the Huangpu River is significantly affected by the high tide conditions in estuaries, constructing an estuary gate is considered an effective solution for flood mitigation. The main objective of this paper is to assess the potential contributions of the proposed Huangpu Gate to the flood control capacity of the basin. To achieve this goal, five different scenarios of flooding conditions and the associated gate operations are considered by using numerical model simulations. Results of quantitative analyses show that the Huangpu Gate is effective for evacuating floodwaters. It can help to reduce both peak values and duration of high water levels in Lake Taihu to benefit surrounding areas along the Taipu Canal and the Huangpu River. The contribution of the gate to the flood control capacity is closely associated with its operation modes and duration. For the maximum potential contribution of the gate, the net outflow at the proposed site is increased by 52 %. The daily peak level is decreased by a maximum of 0.12 m in Lake Taihu, by maxima of 0.26-0.37 and 0.46-0.60 m in the Taipu Canal and the Huangpu River, respectively, and by 0.05-0.39 m in the surrounding areas depending on the local topography. It is concluded that the proposed Huangpu Gate can reduce

  6. Operational High Resolution Chemical Kinetics Simulation, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Numerical simulations of chemical kinetics are critical to addressing urgent issues in both the developed and developing world. Ongoing demand for higher resolution...

  7. Global Climate Model Simulated Hydrologic Droughts and Floods in the Nelson-Churchill Watershed

    Science.gov (United States)

    Vieira, M. J. F.; Stadnyk, T. A.; Koenig, K. A.

    2014-12-01

    There is uncertainty surrounding the duration, magnitude and frequency of historical hydroclimatic extremes such as hydrologic droughts and floods prior to the observed record. In regions where paleoclimatic studies are less reliable, Global Climate Models (GCMs) can provide useful information about past hydroclimatic conditions. This study evaluates the use of Coupled Model Intercomparison Project 5 (CMIP5) GCMs to enhance the understanding of historical droughts and floods across the Canadian Prairie region in the Nelson-Churchill Watershed (NCW). The NCW is approximately 1.4 million km2 in size and drains into Hudson Bay in Northern Manitoba, Canada. One hundred years of observed hydrologic records show extended dry and wet periods in this region; however paleoclimatic studies suggest that longer, more severe droughts have occurred in the past. In Manitoba, where hydropower is the primary source of electricity, droughts are of particular interest as they are important for future resource planning. Twenty-three GCMs with daily runoff are evaluated using 16 metrics for skill in reproducing historic annual runoff patterns. A common 56-year historic period of 1950-2005 is used for this evaluation to capture wet and dry periods. GCM runoff is then routed at a grid resolution of 0.25° using the WATFLOOD hydrological model storage-routing algorithm to develop streamflow scenarios. Reservoir operation is naturalized and a consistent temperature scenario is used to determine ice-on and ice-off conditions. These streamflow simulations are compared with the historic record to remove bias using quantile mapping of empirical distribution functions. GCM runoff data from pre-industrial and future projection experiments are also bias corrected to obtain extended streamflow simulations. GCM streamflow simulations of more than 650 years include a stationary (pre-industrial) period and future periods forced by radiative forcing scenarios. Quantile mapping adjusts for magnitude

  8. Capturing flood-to-drought transitions in regional climate model simulations

    Science.gov (United States)

    Anders, Ivonne; Haslinger, Klaus; Hofstätter, Michael; Salzmann, Manuela; Resch, Gernot

    2017-04-01

    In previous studies atmospheric cyclones have been investigated in terms of related precipitation extremes in Central Europe. Mediterranean (Vb-like) cyclones are of special relevance as they are frequently related to high atmospheric moisture fluxes leading to floods and landslides in the Alpine region. Another focus in this area is on droughts, affecting soil moisture and surface and sub-surface runoff as well. Such events develop differently depending on available pre-saturation of water in the soil. In a first step we investigated two time periods which encompass a flood event and a subsequent drought on very different time scales, one long lasting transition (2002/2003) and a rather short one between May and August 2013. In a second step we extended the investigation to the long time period 1950-2016. We focused on high spatial and temporal scales and assessed the currently achievable accuracy in the simulation of the Vb-events on one hand and following drought events on the other hand. The state-of-the-art regional climate model CCLM is applied in hindcast-mode simulating the single events described above, but also the time from 1948 to 2016 to evaluate the results from the short runs to be valid for the long time period. Besides the conventional forcing of the regional climate model at its lateral boundaries, a spectral nudging technique is applied. The simulations covering the European domain have been varied systematically different model parameters. The resulting precipitation amounts have been compared to E-OBS gridded European precipitation data set and a recent high spatially resolved precipitation data set for Austria (GPARD-6). For the drought events the Standardized Precipitation Evapotranspiration Index (SPEI), soil moisture and runoff has been investigated. Varying the spectral nudging setup helps us to understand the 3D-processes during these events, but also to identify model deficiencies. To improve the simulation of such events in the past

  9. Emergency Evacuation of Hazardous Chemical Accidents Based on Diffusion Simulation

    OpenAIRE

    Jiang-Hua Zhang; Hai-Yue Liu; Rui Zhu; Yang Liu

    2017-01-01

    The recent rapid development of information technology, such as sensing technology, communications technology, and database, allows us to use simulation experiments for analyzing serious accidents caused by hazardous chemicals. Due to the toxicity and diffusion of hazardous chemicals, these accidents often lead to not only severe consequences and economic losses, but also traffic jams at the same time. Emergency evacuation after hazardous chemical accidents is an effective means to reduce the...

  10. Molecular dynamics simulations and quantum chemical calculations ...

    African Journals Online (AJOL)

    Molecular dynamic simulation results indicate that the imidazoline derivative molecules uses the imidazoline ring to effectively adsorb on the surface of iron, with the alkyl hydrophobic tail forming an n shape (canopy like covering) at geometry optimization and at 353 K. The n shape canopy like covering to a large extent may ...

  11. Simulation of chemical reactions using fractional derivatives

    International Nuclear Information System (INIS)

    Zabadal, J.; Vilhena, M.; Livotto, P.

    2001-01-01

    In this work a new approach to solve time-dependant Schroedinger equation for molecular systems is proposed. The method employs functional derivatives to describe the time evolution of the wave functions in reactive systems, in order to establish the mechanisms and products of the reaction. A numerical simulation is reported

  12. Molecular dynamics simulation of a chemical reaction

    International Nuclear Information System (INIS)

    Gorecki, J.; Gryko, J.

    1988-06-01

    Molecular dynamics is used to study the chemical reaction A+A→B+B. It is shown that the reaction rate constant follows the Arrhenius law both for Lennard-Jones and hard sphere interaction potentials between substrate particles. A. For the denser systems the reaction rate is proportional to the value of the radial distribution function at the contact point of two hard spheres. 10 refs, 4 figs

  13. Emotional engagement with participatory simulations as a tool for learning and decision-support for coupled human-natural systems: Flood hazards and urban development

    Science.gov (United States)

    Gilligan, J. M.; Corey, B.; Camp, J. V.; John, N. J.; Sengupta, P.

    2015-12-01

    The complex interactions between land use and natural hazards pose serious challenges in education, research, and public policy. Where complex nonlinear interactions produce unintuitive results, interactive computer simulations can be useful tools for education and decision support. Emotions play important roles in cognition and learning, especially where risks are concerned. Interactive simulations have the potential to harness emotional engagement to enhance learning and understanding of risks in coupled human-natural systems. We developed a participatory agent-based simulation of cities at risk of river flooding. Participants play the role of managers of neighboring cities along a flood-prone river and make choices about building flood walls to protect their inhabitants. Simulated agents participate in dynamic real estate markets in which demand for property, and thus values and decisions to build, respond to experience with flooding over time. By reducing high-frequency low-magnitude flooding, flood walls may stimulate development, thus increasing tax revenues but also increasing vulnerability to uncommon floods that overtop the walls. Flood waves are launched stochastically and propagate downstream. Flood walls that restrict overbank flow at one city can increase the amplitude of a flood wave at neighboring cities, both up and downstream. We conducted a pilot experiment with a group of three pre-service teachers. The subjects successfully learned key concepts of risk tradeoffs and unintended consequences that can accompany flood-control measures. We also observed strong emotional responses, including hope, fear, and sense of loss. This emotional engagement with a model of coupled human-natural systems was very different from previous experiments on participatory simulations of purely natural systems for physics pedagogy. We conducted a second session in which the participants were expert engineers. We will present the results of these experiments and the

  14. On microscopic simulations of systems with model chemical reactions

    International Nuclear Information System (INIS)

    Gorecki, J.; Gorecka, J.N.

    1998-01-01

    Large scale computer simulations of model chemical systems play the role of idealized experiments in which theories may be tested. In this paper we present two applications of microscopic simulations based on the reactive hard sphere model. We investigate the influence of internal fluctuations on an oscillating chemical system and observe how they modify the phase portrait of it. Another application, we consider, is concerned with the propagation of a chemical wave front associated with a thermally activated reaction. It is shown that the nonequilibrium effects increase the front velocity if compared with the velocity of the front generated by a nonactivated process characterized by the same rate constant. (author)

  15. The 2010 Pakistan floods: high-resolution simulations with the WRF model

    Science.gov (United States)

    Viterbo, Francesca; Parodi, Antonio; Molini, Luca; Provenzale, Antonello; von Hardenberg, Jost; Palazzi, Elisa

    2013-04-01

    Estimating current and future water resources in high mountain regions with complex orography is a difficult but crucial task. In particular, the French-Italian project PAPRIKA is focused on two specific regions in the Hindu-Kush -- Himalaya -- Karakorum (HKKH)region: the Shigar basin in Pakistan, at the feet of K2, and the Khumbu valley in Nepal, at the feet of Mount Everest. In this framework, we use the WRF model to simulate precipitation and meteorological conditions with high resolution in areas with extreme orographic slopes, comparing the model output with station and satellite data. Once validated the model, we shall run a set of three future time-slices at very high spatial resolution, in the periods 2046-2050, 2071-2075 and 2096-2100, nested in different climate change scenarios (EXtreme PREcipitation and Hydrological climate Scenario Simulations -EXPRESS-Hydro project). As a prelude to this study, here we discuss the simulation of specific, high-intensity rainfall events in this area. In this paper we focus on the 2010 Pakistan floods which began in late July 2010, producing heavy monsoon rains in the Khyber Pakhtunkhwa, Sindh, Punjab and Balochistan regions of Pakistan and affecting the Indus River basin. Approximately one-fifth of Pakistan's total land area was underwater, with a death toll of about 2000 people. This event has been simulated with the WRF model (version 3.3.) in cloud-permitting mode (d01 14 km and d02 3.5 km): different convective closures and microphysics parameterization have been used. A deeper understanding of the processes responsible for this event has been gained through comparison with rainfall depth observations, radiosounding data and geostationary/polar satellite images.

  16. Applications of TRMM-based Multi-Satellite Precipitation Estimation for Global Runoff Simulation: Prototyping a Global Flood Monitoring System

    Science.gov (United States)

    Hong, Yang; Adler, Robert F.; Huffman, George J.; Pierce, Harold

    2008-01-01

    Advances in flood monitoring/forecasting have been constrained by the difficulty in estimating rainfall continuously over space (catchment-, national-, continental-, or even global-scale areas) and flood-relevant time scale. With the recent availability of satellite rainfall estimates at fine time and space resolution, this paper describes a prototype research framework for global flood monitoring by combining real-time satellite observations with a database of global terrestrial characteristics through a hydrologically relevant modeling scheme. Four major components included in the framework are (1) real-time precipitation input from NASA TRMM-based Multi-satellite Precipitation Analysis (TMPA); (2) a central geospatial database to preprocess the land surface characteristics: water divides, slopes, soils, land use, flow directions, flow accumulation, drainage network etc.; (3) a modified distributed hydrological model to convert rainfall to runoff and route the flow through the stream network in order to predict the timing and severity of the flood wave, and (4) an open-access web interface to quickly disseminate flood alerts for potential decision-making. Retrospective simulations for 1998-2006 demonstrate that the Global Flood Monitor (GFM) system performs consistently at both station and catchment levels. The GFM website (experimental version) has been running at near real-time in an effort to offer a cost-effective solution to the ultimate challenge of building natural disaster early warning systems for the data-sparse regions of the world. The interactive GFM website shows close-up maps of the flood risks overlaid on topography/population or integrated with the Google-Earth visualization tool. One additional capability, which extends forecast lead-time by assimilating QPF into the GFM, also will be implemented in the future.

  17. Flooding and Flood Management

    Science.gov (United States)

    Brooks, K.N.; Fallon, J.D.; Lorenz, D.L.; Stark, J.R.; Menard, Jason; Easter, K.W.; Perry, Jim

    2011-01-01

    Floods result in great human disasters globally and nationally, causing an average of $4 billion of damages each year in the United States. Minnesota has its share of floods and flood damages, and the state has awarded nearly $278 million to local units of government for flood mitigation projects through its Flood Hazard Mitigation Grant Program. Since 1995, flood mitigation in the Red River Valley has exceeded $146 million. Considerable local and state funding has been provided to manage and mitigate problems of excess stormwater in urban areas, flooding of farmlands, and flood damages at road crossings. The cumulative costs involved with floods and flood mitigation in Minnesota are not known precisely, but it is safe to conclude that flood mitigation is a costly business. This chapter begins with a description of floods in Minneosta to provide examples and contrasts across the state. Background material is presented to provide a basic understanding of floods and flood processes, predication, and management and mitigation. Methods of analyzing and characterizing floods are presented because they affect how we respond to flooding and can influence relevant practices. The understanding and perceptions of floods and flooding commonly differ among those who work in flood forecasting, flood protection, or water resource mamnagement and citizens and businesses affected by floods. These differences can become magnified following a major flood, pointing to the need for better understanding of flooding as well as common language to describe flood risks and the uncertainty associated with determining such risks. Expectations of accurate and timely flood forecasts and our ability to control floods do not always match reality. Striving for clarity is important in formulating policies that can help avoid recurring flood damages and costs.

  18. Using cheminformatics to find simulants for chemical warfare agents

    Energy Technology Data Exchange (ETDEWEB)

    Lavoie, J.; Srinivasan, Sree [Molecular Sciences and Engineering Team, U.S. Army Natick Soldier Research, Development and Engineering Center, 15 Kansas Street, Natick, MA 01760 (United States); Nagarajan, R., E-mail: Ramanathan.Nagarajan@us.army.mil [Molecular Sciences and Engineering Team, U.S. Army Natick Soldier Research, Development and Engineering Center, 15 Kansas Street, Natick, MA 01760 (United States)

    2011-10-30

    Highlights: {yields} Summary of chemical warfare agent (CWA) simulants in current use. {yields} Application of method of molecular similarity to CWA and simulants. {yields} Quantitative metric for CWA-simulant similarity. {yields} Rank ordering of simulants in current use. {yields} Potential of method to identify simulants for emerging agents. - Abstract: Direct experimentation with chemical warfare agents (CWA) to study important problems such as their permeation across protective barrier materials, decontamination of equipment and facilities, or the environmental transport and fate of CWAs is not feasible because of the obvious toxicity of the CWAs and associated restrictions on their laboratory use. The common practice is to use 'simulants,' namely, analogous chemicals that closely resemble the CWAs but are less toxic, with the expectation that the results attained for simulants can be correlated to how the CWAs would perform. Simulants have been traditionally chosen by experts, by means of intuition, using similarity in one or more physical properties (such as vapor pressure or aqueous solubility) or in the molecular structural features (such as functional groups) between the stimulant and the CWA. This work is designed to automate the simulant identification process backed by quantitative metrics, by means of chemical similarity search software routinely used in pharmaceutical drug discovery. The question addressed here is: By the metrics of such software, how similar are traditional simulants to CWAs? That is, what is the numerical 'distance' between each CWA and its customary simulants in the quantitative space of molecular descriptors? The answers show promise for finding close but less toxic simulants for the ever-increasing numbers of CWAs objectively and fast.

  19. Using cheminformatics to find simulants for chemical warfare agents

    International Nuclear Information System (INIS)

    Lavoie, J.; Srinivasan, Sree; Nagarajan, R.

    2011-01-01

    Highlights: → Summary of chemical warfare agent (CWA) simulants in current use. → Application of method of molecular similarity to CWA and simulants. → Quantitative metric for CWA-simulant similarity. → Rank ordering of simulants in current use. → Potential of method to identify simulants for emerging agents. - Abstract: Direct experimentation with chemical warfare agents (CWA) to study important problems such as their permeation across protective barrier materials, decontamination of equipment and facilities, or the environmental transport and fate of CWAs is not feasible because of the obvious toxicity of the CWAs and associated restrictions on their laboratory use. The common practice is to use 'simulants,' namely, analogous chemicals that closely resemble the CWAs but are less toxic, with the expectation that the results attained for simulants can be correlated to how the CWAs would perform. Simulants have been traditionally chosen by experts, by means of intuition, using similarity in one or more physical properties (such as vapor pressure or aqueous solubility) or in the molecular structural features (such as functional groups) between the stimulant and the CWA. This work is designed to automate the simulant identification process backed by quantitative metrics, by means of chemical similarity search software routinely used in pharmaceutical drug discovery. The question addressed here is: By the metrics of such software, how similar are traditional simulants to CWAs? That is, what is the numerical 'distance' between each CWA and its customary simulants in the quantitative space of molecular descriptors? The answers show promise for finding close but less toxic simulants for the ever-increasing numbers of CWAs objectively and fast.

  20. Development of a Persistent Chemical Agent Simulator System (PCASS)

    Science.gov (United States)

    Mcginness, W. G.

    1983-01-01

    The development of a persistent chemical agent simulation system (PCASS) is described. This PCASS is to be used for the military training of troops to simulate actual chemical warfare. The purpose of this system is to facilitate in the determination of chemical contamination and effectiveness of decontamination for training purposes. The fluorescent tracer employed has no daylight activation, but yet is easily removed with a decontaminate solution or water and surfactants. Also employed is a time delayed color developing system. When an individual is subjected to the PCASS and does not decontaminate adequately, red blotches or red coloration will develop as a function of time and temperature. The intent of this is to simulate the delayed chemical reaction of mustard contaminates.

  1. Using sea surface temperatures to improve performance of single dynamical downscaling model in flood simulation under climate change

    Science.gov (United States)

    Chao, Y.; Cheng, C. T.; Hsiao, Y. H.; Hsu, C. T.; Yeh, K. C.; Liu, P. L.

    2017-12-01

    There are 5.3 typhoons hit Taiwan per year on average in last decade. Typhoon Morakot in 2009, the most severe typhoon, causes huge damage in Taiwan, including 677 casualties and roughly NT 110 billion (3.3 billion USD) in economic loss. Some researches documented that typhoon frequency will decrease but increase in intensity in western North Pacific region. It is usually preferred to use high resolution dynamical model to get better projection of extreme events; because coarse resolution models cannot simulate intense extreme events. Under that consideration, dynamical downscaling climate data was chosen to describe typhoon satisfactorily, this research used the simulation data from AGCM of Meteorological Research Institute (MRI-AGCM). Considering dynamical downscaling methods consume massive computing power, and typhoon number is very limited in a single model simulation, using dynamical downscaling data could cause uncertainty in disaster risk assessment. In order to improve the problem, this research used four sea surfaces temperatures (SSTs) to increase the climate change scenarios under RCP 8.5. In this way, MRI-AGCMs project 191 extreme typhoons in Taiwan (when typhoon center touches 300 km sea area of Taiwan) in late 21th century. SOBEK, a two dimensions flood simulation model, was used to assess the flood risk under four SSTs climate change scenarios in Tainan, Taiwan. The results show the uncertainty of future flood risk assessment is significantly decreased in Tainan, Taiwan in late 21th century. Four SSTs could efficiently improve the problems of limited typhoon numbers in single model simulation.

  2. Coupled large-eddy simulation and morphodynamics of a large-scale river under extreme flood conditions

    Science.gov (United States)

    Khosronejad, Ali; Sotiropoulos, Fotis; Stony Brook University Team

    2016-11-01

    We present a coupled flow and morphodynamic simulations of extreme flooding in 3 km long and 300 m wide reach of the Mississippi River in Minnesota, which includes three islands and hydraulic structures. We employ the large-eddy simulation (LES) and bed-morphodynamic modules of the VFS-Geophysics model to investigate the flow and bed evolution of the river during a 500 year flood. The coupling of the two modules is carried out via a fluid-structure interaction approach using a nested domain approach to enhance the resolution of bridge scour predictions. The geometrical data of the river, islands and structures are obtained from LiDAR, sub-aqueous sonar and in-situ surveying to construct a digital map of the river bathymetry. Our simulation results for the bed evolution of the river reveal complex sediment dynamics near the hydraulic structures. The numerically captured scour depth near some of the structures reach a maximum of about 10 m. The data-driven simulation strategy we present in this work exemplifies a practical simulation-based-engineering-approach to investigate the resilience of infrastructures to extreme flood events in intricate field-scale riverine systems. This work was funded by a Grant from Minnesota Dept. of Transportation.

  3. Ensemble flood simulation for a small dam catchment in Japan using 10 and 2 km resolution nonhydrostatic model rainfalls

    Science.gov (United States)

    Kobayashi, Kenichiro; Otsuka, Shigenori; Apip; Saito, Kazuo

    2016-08-01

    This paper presents a study on short-term ensemble flood forecasting specifically for small dam catchments in Japan. Numerical ensemble simulations of rainfall from the Japan Meteorological Agency nonhydrostatic model (JMA-NHM) are used as the input data to a rainfall-runoff model for predicting river discharge into a dam. The ensemble weather simulations use a conventional 10 km and a high-resolution 2 km spatial resolutions. A distributed rainfall-runoff model is constructed for the Kasahori dam catchment (approx. 70 km2) and applied with the ensemble rainfalls. The results show that the hourly maximum and cumulative catchment-average rainfalls of the 2 km resolution JMA-NHM ensemble simulation are more appropriate than the 10 km resolution rainfalls. All the simulated inflows based on the 2 and 10 km rainfalls become larger than the flood discharge of 140 m3 s-1, a threshold value for flood control. The inflows with the 10 km resolution ensemble rainfall are all considerably smaller than the observations, while at least one simulated discharge out of 11 ensemble members with the 2 km resolution rainfalls reproduces the first peak of the inflow at the Kasahori dam with similar amplitude to observations, although there are spatiotemporal lags between simulation and observation. To take positional lags into account of the ensemble discharge simulation, the rainfall distribution in each ensemble member is shifted so that the catchment-averaged cumulative rainfall of the Kasahori dam maximizes. The runoff simulation with the position-shifted rainfalls shows much better results than the original ensemble discharge simulations.

  4. The effect of the 2011 flood on agricultural chemical and sediment movement in the lower Mississippi River Basin

    Science.gov (United States)

    Welch, H.; Coupe, R.; Aulenbach, B.

    2012-04-01

    Extreme hydrologic events, such as floods, can overwhelm a surface water system's ability to process chemicals and can move large amounts of material downstream to larger surface water bodies. The Mississippi River is the 3rd largest River in the world behind the Amazon in South America and the Congo in Africa. The Mississippi-Atchafalaya River basin grows much of the country's corn, soybean, rice, cotton, pigs, and chickens. This is large-scale modern day agriculture with large inputs of nutrients to increase yields and large applied amounts of crop protection chemicals, such as pesticides. The basin drains approximately 41% of the conterminous United States and is the largest contributor of nutrients to the Gulf of Mexico each spring. The amount of water and nutrients discharged from the Mississippi River has been related to the size of the low dissolved oxygen area that forms off of the coast of Louisiana and Texas each summer. From March through April 2011, the upper Mississippi River basin received more than five times more precipitation than normal, which combined with snow melt from the Missouri River basin, created a historic flood event that lasted from April through July. The U.S. Geological Survey, as part of the National Stream Quality Accounting Network (NASQAN), collected samples from six sites located in the lower Mississippi-Atchafalaya River basin, as well as, samples from the three flow-diversion structures or floodways: the Birds Point-New Madrid in Missouri and the Morganza and Bonnet Carré in Louisiana, from April through July. Samples were analyzed for nutrients, pesticides, suspended sediments, and particle size; results were used to determine the water quality of the river during the 2011 flood. Monthly loads for nitrate, phosphorus, pesticides (atrazine, glyphosate, fluometuron, and metolachlor), and sediment were calculated to quantify the movement of agricultural chemicals and sediment into the Gulf of Mexico. Nutrient loads were

  5. Continuous rainfall simulation for regional flood risk assessment - application in the Austrian Alps

    Science.gov (United States)

    Salinas, Jose Luis; Nester, Thomas; Komma, Jürgen; Blöschl, Günter

    2017-04-01

    Generation of realistic synthetic spatial rainfall is of pivotal importance for assessing regional hydroclimatic hazard as the input for long term rainfall-runoff simulations. The correct reproduction of the observed rainfall characteristics, such as regional intensity-duration-frequency curves, is necessary to adequately model the magnitude and frequency of the flood peaks. Furthermore, the replication of the observed rainfall spatial and temporal correlations allows to model important other hydrological features like antecedent soil moisture conditions before extreme rainfall events. In this work, we present an application in the Tirol region (Austrian alps) of a modification of the model presented by Bardossy and Platte (1992), where precipitation is modeled on a station basis as a mutivariate autoregressive model (mAr) in a Normal space, and then transformed to a Gamma-distributed space. For the sake of simplicity, the parameters of the Gamma distributions are assumed to vary monthly according to a sinusoidal function, and are calibrated trying to simultaneously reproduce i) mean annual rainfall, ii) mean daily rainfall amounts, iii) standard deviations of daily rainfall amounts, and iv) 24-hours intensity duration frequency curve. The calibration of the spatial and temporal correlation parameters is performed in a way that the intensity-duration-frequency curves aggregated at different spatial and temporal scales reproduce the measured ones. Bardossy, A., and E. J. Plate (1992), Space-time model for daily rainfall using atmospheric circulation patterns, Water Resour. Res., 28(5), 1247-1259, doi:10.1029/91WR02589.

  6. Extreme Mississippi River Floods in the Late Holocene: Reconstructions and Simulations

    Science.gov (United States)

    Munoz, S. E.; Giosan, L.; Donnelly, J. P.; Dee, S.

    2016-12-01

    Extreme flooding of the Mississippi River is costly in both economic and social terms. Despite ambitious engineering projects conceived in the early 20th century to mitigate damage from extreme floods, economic losses due to flooding have increased over recent years. Forecasting extreme flood occurrence over seasonal or longer time-scales remains a major challenge - especially in light of shifts in hydroclimatic conditions expected in response to continued greenhouse forcing. Here, we present findings from a series of paleoflood records that span the late Holocene derived from laminated sediments deposited in abandoned channels of the Mississippi River. These sedimentary archives record individual overbank floods as unique events beds with upward fining that we identify using grain-size analysis, bulk geochemistry, and radiography. We use sedimentological characteristics to reconstruct flood magnitude by calibrating our records against instrumental streamflow data from nearby gauging stations. We also use the Last Millennium Experiments of the Community Earth System Model (CESM-LME) and historical reanalysis data to examine the state of climate system around river discharge extremes. Our paleo-flood records exhibit strong non-stationarities in flood frequency and magnitude that are associated with fluctuations in the frequency of the El Niño-Southern Oscillation (ENSO), because the warm ENSO phase is associated with increased surface water storage of the lower Mississippi basin that leads to enhanced runoff delivery to the main channel. We also show that the early 20th century was a period of anomalously high flood frequency and magnitude due to the combined effects of river engineering and natural climate variability. Our findings imply that flood risk along the lower Mississippi River is tightly coupled to the frequency of ENSO, highlighting the need for robust projections of ENSO variability under greenhouse warming.

  7. Flood Simulation based on ArcGIS in the Ungauged Area from Fugu to Wubao of the middle Yellow River

    Science.gov (United States)

    Jin, Shuangyan; Yan, Yiqi; Jiang, Xinhui

    2017-12-01

    The Qingliangsigou and Jialuhe in the middle Yellow River are selected as the typical tributaries, history flood data in 1980-2013 and Horton infiltration capacity curve are used to calculate the stable infiltration rate and establish the model of runoff yield and concentration, the parameters are calibrated and applied in the ungauged area from Fugu to Wubao. The study area is divided into 20 units based on ArcGIS, Muskingum method parameters in each unit are calibrated, and typical floods of ungauged area from Fugu to Wubao are simulated. The results show that the simulation effects are good: the average error of peak time is about -0.4h, the error of peak discharge is in the forecasting allowable range, and the deterministic coefficient is 0.66.

  8. Model simulations of flood and debris flow timing in steep catchments after wildfire

    Science.gov (United States)

    Rengers, Francis K.; McGuire, Luke; Kean, Jason W.; Staley, Dennis M.; Hobley, D.E.J

    2016-01-01

    Debris flows are a typical hazard on steep slopes after wildfire, but unlike debris flows that mobilize from landslides, most post-wildfire debris flows are generated from water runoff. The majority of existing debris-flow modeling has focused on landslide-triggered debris flows. In this study we explore the potential for using process-based rainfall-runoff models to simulate the timing of water flow and runoff-generated debris flows in recently burned areas. Two different spatially distributed hydrologic models with differing levels of complexity were used: the full shallow water equations and the kinematic wave approximation. Model parameter values were calibrated in two different watersheds, spanning two orders of magnitude in drainage area. These watersheds were affected by the 2009 Station Fire in the San Gabriel Mountains, CA, USA. Input data for the numerical models were constrained by time series of soil moisture, flow stage, and rainfall collected at field sites, as well as high-resolution lidar-derived digital elevation models. The calibrated parameters were used to model a third watershed in the burn area, and the results show a good match with observed timing of flow peaks. The calibrated roughness parameter (Manning's $n$) was generally higher when using the kinematic wave approximation relative to the shallow water equations, and decreased with increasing spatial scale. The calibrated effective watershed hydraulic conductivity was low for both models, even for storms occurring several months after the fire, suggesting that wildfire-induced changes to soil-water infiltration were retained throughout that time. Overall the two model simulations were quite similar suggesting that a kinematic wave model, which is simpler and more computationally efficient, is a suitable approach for predicting flood and debris flow timing in steep, burned watersheds.

  9. Model simulations of flood and debris flow timing in steep catchments after wildfire

    Science.gov (United States)

    Rengers, F. K.; McGuire, L. A.; Kean, J. W.; Staley, D. M.; Hobley, D. E. J.

    2016-08-01

    Debris flows are a typical hazard on steep slopes after wildfire, but unlike debris flows that mobilize from landslides, most postwildfire debris flows are generated from water runoff. The majority of existing debris flow modeling has focused on landslide-triggered debris flows. In this study we explore the potential for using process-based rainfall-runoff models to simulate the timing of water flow and runoff-generated debris flows in recently burned areas. Two different spatially distributed hydrologic models with differing levels of complexity were used: the full shallow water equations and the kinematic wave approximation. Model parameter values were calibrated in two different watersheds, spanning two orders of magnitude in drainage area. These watersheds were affected by the 2009 Station Fire in the San Gabriel Mountains, CA, USA. Input data for the numerical models were constrained by time series of soil moisture, flow stage, and rainfall collected at field sites, as well as high-resolution lidar-derived digital elevation models. The calibrated parameters were used to model a third watershed in the burn area, and the results show a good match with observed timing of flow peaks. The calibrated roughness parameter (Manning's n) was generally higher when using the kinematic wave approximation relative to the shallow water equations, and decreased with increasing spatial scale. The calibrated effective watershed hydraulic conductivity was low for both models, even for storms occurring several months after the fire, suggesting that wildfire-induced changes to soil-water infiltration were retained throughout that time. Overall, the two model simulations were quite similar suggesting that a kinematic wave model, which is simpler and more computationally efficient, is a suitable approach for predicting flood and debris flow timing in steep, burned watersheds.

  10. Sensitivity Analysis of the Surface Runoff Coefficient of HiPIMS in Simulating Flood Processes in a Large Basin

    Directory of Open Access Journals (Sweden)

    Yueling Wang

    2018-03-01

    Full Text Available To simulate flood processes at the basin level, the GPU-based High-Performance Integrated Hydrodynamic Modelling System (HiPIMS is gaining interest as computational capability increases. However, the difficulty of coping with rainfall input to HiPIMS reduces the possibility of acquiring a satisfactory simulation accuracy. The objective of this study is to test the sensitivity of the surface runoff coefficient in the HiPIMS source term in the Misai basin with an area of 797 km2 in south China. To achieve this, the basin was divided into 909,824 grid cells, to each of which a Manning coefficient was assigned based on its land use type interpreted from remote sensing data. A sensitivity analysis was conducted for three typical flood processes under four types of surface runoff coefficients, assumed a priori, upon three error functions. The results demonstrate the crucial role of the surface runoff coefficient in achieving better simulation accuracy and reveal that this coefficient varies with flood scale and is unevenly distributed over the basin.

  11. Mesoscale simulations of shockwave energy dissipation via chemical reactions.

    Science.gov (United States)

    Antillon, Edwin; Strachan, Alejandro

    2015-02-28

    We use a particle-based mesoscale model that incorporates chemical reactions at a coarse-grained level to study the response of materials that undergo volume-reducing chemical reactions under shockwave-loading conditions. We find that such chemical reactions can attenuate the shockwave and characterize how the parameters of the chemical model affect this behavior. The simulations show that the magnitude of the volume collapse and velocity at which the chemistry propagates are critical to weaken the shock, whereas the energetics in the reactions play only a minor role. Shock loading results in transient states where the material is away from local equilibrium and, interestingly, chemical reactions can nucleate under such non-equilibrium states. Thus, the timescales for equilibration between the various degrees of freedom in the material affect the shock-induced chemistry and its ability to attenuate the propagating shock.

  12. Comparing the Performance of Commonly Available Digital Elevation Models in GIS-based Flood Simulation

    Science.gov (United States)

    Ybanez, R. L.; Lagmay, A. M. A.; David, C. P.

    2016-12-01

    With climatological hazards increasing globally, the Philippines is listed as one of the most vulnerable countries in the world due to its location in the Western Pacific. Flood hazards mapping and modelling is one of the responses by local government and research institutions to help prepare for and mitigate the effects of flood hazards that constantly threaten towns and cities in floodplains during the 6-month rainy season. Available digital elevation maps, which serve as the most important dataset used in 2D flood modelling, are limited in the Philippines and testing is needed to determine which of the few would work best for flood hazards mapping and modelling. Two-dimensional GIS-based flood modelling with the flood-routing software FLO-2D was conducted using three different available DEMs from the ASTER GDEM, the SRTM GDEM, and the locally available IfSAR DTM. All other parameters kept uniform, such as resolution, soil parameters, rainfall amount, and surface roughness, the three models were run over a 129-sq. kilometer watershed with only the basemap varying. The output flood hazard maps were compared on the basis of their flood distribution, extent, and depth. The ASTER and SRTM GDEMs contained too much error and noise which manifested as dissipated and dissolved hazard areas in the lower watershed where clearly delineated flood hazards should be present. Noise on the two datasets are clearly visible as erratic mounds in the floodplain. The dataset which produced the only feasible flood hazard map is the IfSAR DTM which delineates flood hazard areas clearly and properly. Despite the use of ASTER and SRTM with their published resolution and accuracy, their use in GIS-based flood modelling would be unreliable. Although not as accessible, only IfSAR or better datasets should be used for creating secondary products from these base DEM datasets. For developing countries which are most prone to hazards, but with limited choices for basemaps used in hazards

  13. A systematic intercomparison of regional flood frequency analysis models in a simulation framework

    Science.gov (United States)

    Ganora, Daniele; Laio, Francesco; Claps, Pierluigi

    2015-04-01

    Regional frequency analysis (RFA) is a well-established methodology to provide an estimate of the flood frequency curve (or other discharge-related variables), based on the fundamental concept of substituting temporal information at a site (no data or short time series) by exploiting observations at other sites (spatial information). Different RFA paradigms exist, depending on the way the information is transferred to the site of interest. Despite the wide use of such methodology, a systematic comparison between these paradigms has not been performed. The aim of this study is to provide a framework wherein carrying out the intercomparison: we thus synthetically generate data through Monte Carlo simulations for a number of (virtual) stations, following a GEV parent distribution; different scenarios can be created to represent different spatial heterogeneity patterns by manipulating the parameters of the parent distribution at each station (e.g. with a linear variation in space of the shape parameter of the GEV). A special case is the homogeneous scenario where each station record is sampled from the same parent distribution. For each scenario and each simulation, different regional models are applied to evaluate the 200-year growth factor at each station. Results are than compared to the exact growth factor of each station, which is known in our virtual world. Considered regional approaches include: (i) a single growth curve for the whole region; (ii) a multiple-region model based on cluster analysis which search for an adequate number of homogeneous subregions; (iii) a Region-of-Influence model which defines a homogeneous subregion for each site; (iv) a spatially-smooth estimation procedure based on linear regressions.. A further benchmark model is the at-site estimate based on the analysis of the local record. A comprehensive analysis of the results of the simulations shows that, if the scenario is homogeneous (no spatial variability), all the regional approaches

  14. Pore-scale simulation of wettability and interfacial tension effects on flooding process for enhanced oil recovery.

    Science.gov (United States)

    Zhao, Jin; Wen, Dongsheng

    2017-08-27

    For enhanced oil recovery (EOR) applications, the oil/water flow characteristics during the flooding process was numerically investigated with the volume-of-fluid method at the pore scale. A two-dimensional pore throat-body connecting structure was established, and four scenarios were simulated in this paper. For oil-saturated pores, the wettability effect on the flooding process was studied; for oil-unsaturated pores, three effects were modelled to investigate the oil/water phase flow behaviors, namely the wettability effect, the interfacial tension (IFT) effect, and the combined wettability/IFT effect. The results show that oil saturated pores with the water-wet state can lead to 25-40% more oil recovery than with the oil-wet state, and the remaining oil mainly stays in the near wall region of the pore bodies for oil-wet saturated pores. For oil-unsaturated pores, the wettability effects on the flooding process can help oil to detach from the pore walls. By decreasing the oil/water interfacial tension and altering the wettability from oil-wet to water-wet state, the remaining oil recovery rate can be enhanced successfully. The wettability-IFT combined effect shows better EOR potential compared with decreasing the interfacial tension alone under the oil-wet condition. The simulation results in this work are consistent with previous experimental and molecular dynamics simulation conclusions. The combination effect of the IFT reducation and wettability alteration can become an important recovery mechanism in future studies for nanoparticles, surfactant, and nanoparticle-surfactant hybrid flooding process.

  15. DYNSIR; A dynamic simulator for the chemical process

    International Nuclear Information System (INIS)

    Park, Hyun Soo; Yoo, Jae Hyung; Byeon, Kee Hoh; Park, Jeong Hwa; Park, Seong Won

    1990-03-01

    A program code for dynamic simulation of arbitrary chemical process, called DYNSIR, is developed. The code can simulate rather arbitrary arrangements of individual chemical processing units whose models are described by ordinary differential equations. The code structure to handle input/output, memory and data management, numerical interactive or predetermined changes in parameter values during the simulation. Individual model is easy to maintain since the modular approach is used. The integration routine is highly effective because of the development of algorithm for modular integration method using the cubic spline. DYNSIR's data structures are not the index but the pointer structure. This pointer structure allows the dynamic memory allocation for the memory management. The dynamic memory allocation methods is to minimize the amount of memories and to overcome the limitation of the number of variables to be used. Finally, it includes various functions, such as the input preprocessor, the effective error processing, and plotting and reporting routines. (author)

  16. Itzï (version 17.1): an open-source, distributed GIS model for dynamic flood simulation

    Science.gov (United States)

    Guillaume Courty, Laurent; Pedrozo-Acuña, Adrián; Bates, Paul David

    2017-05-01

    Worldwide, floods are acknowledged as one of the most destructive hazards. In human-dominated environments, their negative impacts are ascribed not only to the increase in frequency and intensity of floods but also to a strong feedback between the hydrological cycle and anthropogenic development. In order to advance a more comprehensive understanding of this complex interaction, this paper presents the development of a new open-source tool named Itzï that enables the 2-D numerical modelling of rainfall-runoff processes and surface flows integrated with the open-source geographic information system (GIS) software known as GRASS. Therefore, it takes advantage of the ability given by GIS environments to handle datasets with variations in both temporal and spatial resolutions. Furthermore, the presented numerical tool can handle datasets from different sources with varied spatial resolutions, facilitating the preparation and management of input and forcing data. This ability reduces the preprocessing time usually required by other models. Itzï uses a simplified form of the shallow water equations, the damped partial inertia equation, for the resolution of surface flows, and the Green-Ampt model for the infiltration. The source code is now publicly available online, along with complete documentation. The numerical model is verified against three different tests cases: firstly, a comparison with an analytic solution of the shallow water equations is introduced; secondly, a hypothetical flooding event in an urban area is implemented, where results are compared to those from an established model using a similar approach; and lastly, the reproduction of a real inundation event that occurred in the city of Kingston upon Hull, UK, in June 2007, is presented. The numerical approach proved its ability at reproducing the analytic and synthetic test cases. Moreover, simulation results of the real flood event showed its suitability at identifying areas affected by flooding

  17. Quantifying chemical uncertainties in simulations of the ISM

    Science.gov (United States)

    Glover, Simon

    2018-06-01

    The ever-increasing power of large parallel computers now makes it possible to include increasingly sophisticated chemical models in three-dimensional simulations of the interstellar medium (ISM). This allows us to study the role that chemistry plays in the thermal balance of a realistically-structured, turbulent ISM, as well as enabling us to generated detailed synthetic observations of important atomic or molecular tracers. However, one major constraint on the accuracy of these models is the accuracy with which the input chemical rate coefficients are known. Uncertainties in these chemical rate coefficients inevitably introduce uncertainties into the model predictions. In this talk, I will review some of the methods we can use to quantify these uncertainties and to identify the key reactions where improved chemical data is most urgently required. I will also discuss a few examples, ranging from the local ISM to the high-redshift universe.

  18. Development and new applications of quantum chemical simulation methodology

    International Nuclear Information System (INIS)

    Weiss, A. K. H.

    2012-01-01

    The Division of Theoretical Chemistry at the University of Innsbruck is focused on the study of chemical compounds in aqueous solution, in terms of mainly hybrid quantum mechanical / molecular mechanical molecular dynamics simulations (QM/MM MD). Besides the standard means of data analysis employed for such simulations, this study presents several advanced and capable algorithms for the description of structural and dynamic properties of the simulated species and its hydration. The first part of this thesis further presents selected exemplary simulations, in particular a comparative study of Formamide and N-methylformamide, Guanidinium, and Urea. An included review article further summarizes the major advances of these studies. The computer programs developed in the course of this thesis are by now well established in the research field. The second part of this study presents the theory and a development guide for a quantum chemical program, QuMuLuS, that is by now used as a QM program for recent QM/MM simulations at the division. In its course, this part presents newly developed algorithms for electron integral evaluation and point charge embedding. This program is validated in terms of benchmark computations. The associated theory is presented on a detailed level, to serve as a source for contemporary and future studies in the division. In the third and final part, further investigations of related topics are addressed. This covers additional schemes of molecular simulation analysis, new software, as well as a mathematical investigation of a non-standard two-electron integral. (author)

  19. Emergency Evacuation of Hazardous Chemical Accidents Based on Diffusion Simulation

    Directory of Open Access Journals (Sweden)

    Jiang-Hua Zhang

    2017-01-01

    Full Text Available The recent rapid development of information technology, such as sensing technology, communications technology, and database, allows us to use simulation experiments for analyzing serious accidents caused by hazardous chemicals. Due to the toxicity and diffusion of hazardous chemicals, these accidents often lead to not only severe consequences and economic losses, but also traffic jams at the same time. Emergency evacuation after hazardous chemical accidents is an effective means to reduce the loss of life and property and to smoothly resume the transport network as soon as possible. This paper considers the dynamic changes of the hazardous chemicals’ concentration after their leakage and simulates the diffusion process. Based on the characteristics of emergency evacuation of hazardous chemical accidents, we build a mixed-integer programming model and design a heuristic algorithm using network optimization and diffusion simulation (hereafter NODS. We then verify the validity and feasibility of the algorithm using Jinan, China, as a computational example. In the end, we compare the results from different scenarios to explore the key factors affecting the effectiveness of the evacuation process.

  20. Molecular dynamics simulations of solutions at constant chemical potential

    Science.gov (United States)

    Perego, C.; Salvalaglio, M.; Parrinello, M.

    2015-04-01

    Molecular dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, which range from nano-technology to pharmaceutical chemistry. However, these calculations are affected by severe finite-size effects, such as the solution being depleted as the chemical process proceeds, which influence the outcome of the simulations. To overcome these limitations, one must allow the system to exchange molecules with a macroscopic reservoir, thus sampling a grand-canonical ensemble. Despite the fact that different remedies have been proposed, this still represents a key challenge in molecular simulations. In the present work, we propose the Constant Chemical Potential Molecular Dynamics (CμMD) method, which introduces an external force that controls the environment of the chemical process of interest. This external force, drawing molecules from a finite reservoir, maintains the chemical potential constant in the region where the process takes place. We have applied the CμMD method to the paradigmatic case of urea crystallization in aqueous solution. As a result, we have been able to study crystal growth dynamics under constant supersaturation conditions and to extract growth rates and free-energy barriers.

  1. Modeling multi-source flooding disaster and developing simulation framework in Delta

    Science.gov (United States)

    Liu, Y.; Cui, X.; Zhang, W.

    2016-12-01

    Most Delta regions of the world are densely populated and with advanced economies. However, due to impact of the multi-source flooding (upstream flood, rainstorm waterlogging, storm surge flood), the Delta regions is very vulnerable. The academic circles attach great importance to the multi-source flooding disaster in these areas. The Pearl River Delta urban agglomeration in south China is selected as the research area. Based on analysis of natural and environmental characteristics data of the Delta urban agglomeration(remote sensing data, land use data, topographic map, etc.), hydrological monitoring data, research of the uneven distribution and process of regional rainfall, the relationship between the underlying surface and the parameters of runoff, effect of flood storage pattern, we use an automatic or semi-automatic method for dividing spatial units to reflect the runoff characteristics in urban agglomeration, and develop an Multi-model Ensemble System in changing environment, including urban hydrologic model, parallel computational 1D&2D hydrodynamic model, storm surge forecast model and other professional models, the system will have the abilities like real-time setting a variety of boundary conditions, fast and real-time calculation, dynamic presentation of results, powerful statistical analysis function. The model could be optimized and improved by a variety of verification methods. This work was supported by the National Natural Science Foundation of China (41471427); Special Basic Research Key Fund for Central Public Scientific Research Institutes.

  2. Understanding the Future Market for NovaSAR-S Flood Mapping Products Using Data Mining and Simulation

    Science.gov (United States)

    Lavender, Samantha; Haria, Kajal; Cooksley, Geraint; Farman, Alex; Beaton, Thomas

    2016-08-01

    The aim was to understand a future market for NovaSAR-S, with a particular focus on flood mapping, through developing a simple Synthetic Aperture Radar (SAR) simulator that can be used in advance of NovaSAR-S data becoming available.The return signal was determined from a combination of a terrain or elevation model, Envisat S-Band Radar Altimeter (RA)-2, Landsat and CORINE land cover information; allowing for a simulation of a SAR image that's influenced by both the geometry and surface type. The test sites correspond to data from the 2014 AirSAR campaign, and validation is performed by using AirSAR together with Envisat Advanced (ASAR) and Advanced Land Observing Satellite "Daichi" (ALOS) Phased Array type L-Band Synthetic Aperture Radar (PALSAR) data.It's envisaged that the resulting simulated data, and the simulator, will not only aid early understanding of NovaSAR-S, but will also aid the development of flood mapping applications.

  3. Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability.

    Science.gov (United States)

    Ring, Caroline L; Pearce, Robert G; Setzer, R Woodrow; Wetmore, Barbara A; Wambaugh, John F

    2017-09-01

    The thousands of chemicals present in the environment (USGAO, 2013) must be triaged to identify priority chemicals for human health risk research. Most chemicals have little of the toxicokinetic (TK) data that are necessary for relating exposures to tissue concentrations that are believed to be toxic. Ongoing efforts have collected limited, in vitro TK data for a few hundred chemicals. These data have been combined with biomonitoring data to estimate an approximate margin between potential hazard and exposure. The most "at risk" 95th percentile of adults have been identified from simulated populations that are generated either using standard "average" adult human parameters or very specific cohorts such as Northern Europeans. To better reflect the modern U.S. population, we developed a population simulation using physiologies based on distributions of demographic and anthropometric quantities from the most recent U.S. Centers for Disease Control and Prevention National Health and Nutrition Examination Survey (NHANES) data. This allowed incorporation of inter-individual variability, including variability across relevant demographic subgroups. Variability was analyzed with a Monte Carlo approach that accounted for the correlation structure in physiological parameters. To identify portions of the U.S. population that are more at risk for specific chemicals, physiologic variability was incorporated within an open-source high-throughput (HT) TK modeling framework. We prioritized 50 chemicals based on estimates of both potential hazard and exposure. Potential hazard was estimated from in vitro HT screening assays (i.e., the Tox21 and ToxCast programs). Bioactive in vitro concentrations were extrapolated to doses that produce equivalent concentrations in body tissues using a reverse dosimetry approach in which generic TK models are parameterized with: 1) chemical-specific parameters derived from in vitro measurements and predicted from chemical structure; and 2) with

  4. Flood management: prediction of microbial contamination in large-scale floods in urban environments.

    Science.gov (United States)

    Taylor, Jonathon; Lai, Ka Man; Davies, Mike; Clifton, David; Ridley, Ian; Biddulph, Phillip

    2011-07-01

    With a changing climate and increased urbanisation, the occurrence and the impact of flooding is expected to increase significantly. Floods can bring pathogens into homes and cause lingering damp and microbial growth in buildings, with the level of growth and persistence dependent on the volume and chemical and biological content of the flood water, the properties of the contaminating microbes, and the surrounding environmental conditions, including the restoration time and methods, the heat and moisture transport properties of the envelope design, and the ability of the construction material to sustain the microbial growth. The public health risk will depend on the interaction of these complex processes and the vulnerability and susceptibility of occupants in the affected areas. After the 2007 floods in the UK, the Pitt review noted that there is lack of relevant scientific evidence and consistency with regard to the management and treatment of flooded homes, which not only put the local population at risk but also caused unnecessary delays in the restoration effort. Understanding the drying behaviour of flooded buildings in the UK building stock under different scenarios, and the ability of microbial contaminants to grow, persist, and produce toxins within these buildings can help inform recovery efforts. To contribute to future flood management, this paper proposes the use of building simulations and biological models to predict the risk of microbial contamination in typical UK buildings. We review the state of the art with regard to biological contamination following flooding, relevant building simulation, simulation-linked microbial modelling, and current practical considerations in flood remediation. Using the city of London as an example, a methodology is proposed that uses GIS as a platform to integrate drying models and microbial risk models with the local building stock and flood models. The integrated tool will help local governments, health authorities

  5. Assessment of Urban Pluvial Flood Risk and Efficiency of Adaptation Options Through Simulations – A New Generation of Urban Planning Tools

    DEFF Research Database (Denmark)

    Löwe, Roland; Urich, Christian; Sto. Domingo, Niña Donna Farpale

    2017-01-01

    the possibility to systematically test various flood risk adaptation measures ranging from large infrastructure changes over decentralised water management to urban planning policies. We have tested the framework in a case study in Melbourne, Australia considering 9 scenarios for urban development and climate......-off investments. Urban planning policies proved to be an efficient means for the reduction of flood risk, while implementing property buyback and pipe increases in a guideline-oriented manner was too costly. Random variations in location and time point of urban development could have significant impact on flood......We present a new framework for flexible testing of flood risk adaptation strategies in a variety of urban development and climate scenarios. This framework couples the 1D-2D hydrodynamic simulation package MIKE FLOOD with the agent-based urban development model DAnCE4Water and provides...

  6. RiverFlow2D numerical simulation of flood mitigation solutions in the Ebro River

    Directory of Open Access Journals (Sweden)

    I. Echeverribar

    2017-01-01

    Full Text Available A study of measures oriented to flood mitigation in the mid reach of the Ebro river is presented: elimination of vegetation in the riverbed, use of controlled flooding areas and construction or re-adaptation of levees. The software used is RiverFlow2D which solves the conservative free-surface flow equations with a finite volume method running on GPU. The results are compared with measurements at gauge stations and aerial views. The most effective measure has turned out to be the elimination of vegetation in the riverbed. It is demonstrated that not only the maximum flooded area is narrower but also it reduces the water depth up to 1 m. The other measures have local consequences when the peak discharge is relatively high although they could be useful in case the discharge is lower.

  7. Accuracy Analysis and Parameters Optimization in Urban Flood Simulation by PEST Model

    Science.gov (United States)

    Keum, H.; Han, K.; Kim, H.; Ha, C.

    2017-12-01

    The risk of urban flooding has been increasing due to heavy rainfall, flash flooding and rapid urbanization. Rainwater pumping stations, underground reservoirs are used to actively take measures against flooding, however, flood damage from lowlands continues to occur. Inundation in urban areas has resulted in overflow of sewer. Therefore, it is important to implement a network system that is intricately entangled within a city, similar to the actual physical situation and accurate terrain due to the effects on buildings and roads for accurate two-dimensional flood analysis. The purpose of this study is to propose an optimal scenario construction procedure watershed partitioning and parameterization for urban runoff analysis and pipe network analysis, and to increase the accuracy of flooded area prediction through coupled model. The establishment of optimal scenario procedure was verified by applying it to actual drainage in Seoul. In this study, optimization was performed by using four parameters such as Manning's roughness coefficient for conduits, watershed width, Manning's roughness coefficient for impervious area, Manning's roughness coefficient for pervious area. The calibration range of the parameters was determined using the SWMM manual and the ranges used in the previous studies, and the parameters were estimated using the automatic calibration method PEST. The correlation coefficient showed a high correlation coefficient for the scenarios using PEST. The RPE and RMSE also showed high accuracy for the scenarios using PEST. In the case of RPE, error was in the range of 13.9-28.9% in the no-parameter estimation scenarios, but in the scenario using the PEST, the error range was reduced to 6.8-25.7%. Based on the results of this study, it can be concluded that more accurate flood analysis is possible when the optimum scenario is selected by determining the appropriate reference conduit for future urban flooding analysis and if the results is applied to various

  8. Of floods, sandbags and simulations: Urban resilience to natural disasters and the performance of disaster management organisations under change.

    Science.gov (United States)

    Dressler, Gunnar; Mueller, Birgit; Frank, Karin; Kuhlicke, Christian

    2015-04-01

    Natural disasters and in particular floods have become a strong threat to urban communities in the last decades. In just eleven years (2002, 2013) two centenary river floods have hit Eastern Germany, causing damages of 9.1 billion € (2002) and 6.7 billion € (2013, first estimate), making them the most costly flood events in German history. Many cities in the Free State of Saxony that were strongly hit by both floods are additionally challenged by demographic change with an ageing society and outmigration leading to population shrinkage. This also constrains the coping capacity of disaster management services, especially those of volunteer-based disaster management organisations such as fire brigades, leading to an increased vulnerability of the community at risk. On the other hand, new technologies such as social media have led to rapid information spread and self-organisation of tremendous numbers of civil volunteers willing to help. How do responsible organisations deal with the challenges associated with demographic change, as well as with expected increases in flood frequency and intensity, and what strategies could enhance their performance in the future? To explore these questions, we developed an agent-based simulation model. It is based on socio-demographic settings of the community, communication and coordination structures of disaster management as well as transportation infrastructure for resources and emergency forces. The model is developed in exchange with relevant stakeholders including experts of local disaster management organisations and authority representatives. The goal of the model is to a) assess the performance of disaster management organisations and determine performance limits with respect to forecast lead times and respective coping times of disaster management organisations and b) use it as a discussion tool with these organisations and authorities to identify weak points as well as new options and strategies to ensure protection

  9. Turbulent diffusion of chemically reacting flows: Theory and numerical simulations.

    Science.gov (United States)

    Elperin, T; Kleeorin, N; Liberman, M; Lipatnikov, A N; Rogachevskii, I; Yu, R

    2017-11-01

    The theory of turbulent diffusion of chemically reacting gaseous admixtures developed previously [T. Elperin et al., Phys. Rev. E 90, 053001 (2014)PLEEE81539-375510.1103/PhysRevE.90.053001] is generalized for large yet finite Reynolds numbers and the dependence of turbulent diffusion coefficient on two parameters, the Reynolds number and Damköhler number (which characterizes a ratio of turbulent and reaction time scales), is obtained. Three-dimensional direct numerical simulations (DNSs) of a finite-thickness reaction wave for the first-order chemical reactions propagating in forced, homogeneous, isotropic, and incompressible turbulence are performed to validate the theoretically predicted effect of chemical reactions on turbulent diffusion. It is shown that the obtained DNS results are in good agreement with the developed theory.

  10. An Application of a Stochastic Semi-Continuous Simulation Method for Flood Frequency Analysis: A Case Study in Slovakia

    Science.gov (United States)

    Valent, Peter; Paquet, Emmanuel

    2017-09-01

    A reliable estimate of extreme flood characteristics has always been an active topic in hydrological research. Over the decades a large number of approaches and their modifications have been proposed and used, with various methods utilizing continuous simulation of catchment runoff, being the subject of the most intensive research in the last decade. In this paper a new and promising stochastic semi-continuous method is used to estimate extreme discharges in two mountainous Slovak catchments of the rivers Váh and Hron, in which snow-melt processes need to be taken into account. The SCHADEX method used, couples a precipitation probabilistic model with a rainfall-runoff model used to both continuously simulate catchment hydrological conditions and to transform generated synthetic rainfall events into corresponding discharges. The stochastic nature of the method means that a wide range of synthetic rainfall events were simulated on various historical catchment conditions, taking into account not only the saturation of soil, but also the amount of snow accumulated in the catchment. The results showed that the SCHADEX extreme discharge estimates with return periods of up to 100 years were comparable to those estimated by statistical approaches. In addition, two reconstructed historical floods with corresponding return periods of 100 and 1000 years were compared to the SCHADEX estimates. The results confirmed the usability of the method for estimating design discharges with a recurrence interval of more than 100 years and its applicability in Slovak conditions.

  11. Foliar application of molybdenum reduces yield loss and pre-harvest sprouting in japonica rice seed subjected to simulated flooding during seed development and maturation

    OpenAIRE

    Tejakhod, Sujittra; Hammond, John P.; Ellis, Richard H.

    2018-01-01

    Flooding damages rice crops and its incidence is increasing. Foliar spray applications of molybdenum (100, 600 or 3000 mg Mo L-1), abscisic acid (ABA, 50 μM), or deionised water (control) were made to pot-grown plants of the Japonica rice cv. Gleva at flag leaf appearance to determine their effects on seed yield and pre-harvest sprouting after flooding. Plants were submerged , to simulate flooding, for four days from 20 or 30 days after anthesis (DAA). Seed yield per plant, seed weight, and p...

  12. Compound simulation of fluvial floods and storm surges in a global coupled river-coast flood model : Model development and its application to 2007 Cyclone Sidr in Bangladesh

    NARCIS (Netherlands)

    Ikeuchi, Hiroaki; Hirabayashi, Yukiko; Yamazaki, Dai; Muis, Sanne; Ward, Philip J.; Winsemius, Hessel C.; Verlaan, Martin; Kanae, Shinjiro

    2017-01-01

    Water-related disasters, such as fluvial floods and cyclonic storm surges, are a major concern in the world's mega-delta regions. Furthermore, the simultaneous occurrence of extreme discharges from rivers and storm surges could exacerbate flood risk, compared to when they occur separately. Hence, it

  13. Development of a global river-coastal coupling model and its application to flood simulation in Asian mega-delta regions

    Science.gov (United States)

    Ikeuchi, Hiroaki; Hirabayashi, Yukiko; Yamazaki, Dai; Muis, Sanne; Ward, Philip; Verlaan, Martin; Winsemius, Hessel; Kanae, Shinjiro

    2017-04-01

    The world's mega-delta regions and estuaries are susceptible to various water-related disasters, such as river flooding and storm surge. Moreover, simultaneous occurrence of them would be more devastating than a situation where they occur in isolation. Therefore, it is important to provide information about compound risks of fluvial and coastal floods at a large scale, both their statistical dependency as well as their combined resulting flooding in delta regions. Here we report on a first attempt to address this issue globally by developing a method to couple a global river model (CaMa-Flood) and a global tide and surge reanalysis (GTSR) dataset. A state-of-the-art global river routing model, CaMa-Flood, was modified to represent varying sea levels due to tides and storm surges as downstream boundary condition, and the GTSR dataset was post-processed to serve as inputs to the CaMa-Flood river routing simulation and a long-term simulation was performed to incorporate the temporal dependency between coastal tide and surge on the one hand, and discharge on the other. The coupled model was validated against observations, showing better simulation results of water levels in deltaic regions than simulation without GTSR. For example in the Ganges Delta, correlation coefficients were increased by 0.06, and root mean square errors were reduced by 0.22 m. Global coupling simulations revealed that storm surges affected river water levels in coastal regions worldwide, especially in low-lying flat areas with increases in water level larger than 0.5 m. By employing enhanced storm surge simulation with tropical storm tracks, we also applied the model to examine impacts of past hurricane and cyclone storm events on river flood inundation.

  14. Flood Simulations and Uncertainty Analysis for the Pearl River Basin Using the Coupled Land Surface and Hydrological Model System

    Directory of Open Access Journals (Sweden)

    Yongnan Zhu

    2017-06-01

    Full Text Available The performances of hydrological simulations for the Pearl River Basin in China were analysed using the Coupled Land Surface and Hydrological Model System (CLHMS. Three datasets, including East Asia (EA, high-resolution gauge satellite-merged China Merged Precipitation Analysis (CMPA-Daily, and the Asian Precipitation Highly-Resolved Observational Data Integration Towards Evaluation (APHRODITE daily precipitation were used to drive the CLHMS model to simulate daily hydrological processes from 1998 to 2006. The results indicate that the precipitation data was the most important source of uncertainty in the hydrological simulation. The simulated streamflow driven by the CMPA-Daily agreed well with observations, with a Pearson correlation coefficient (PMC greater than 0.70 and an index of agreement (IOA similarity coefficient greater than 0.82 at Liuzhou, Shijiao, and Wuzhou Stations. Comparison of the Nash-Sutcliffe efficiency coefficient (NSE shows that the peak flow simulation ability of CLHMS driven with the CMPA-Daily rainfall is relatively superior to that with the EA and APHRODITE datasets. The simulation results for the high-flow periods in 1998 and 2005 indicate that the CLHMS is promising for its future application in the flood simulation and prediction.

  15. Ensemble urban flood simulation in comparison with laboratory-scale experiments: Impact of interaction models for manhole, sewer pipe, and surface flow

    Science.gov (United States)

    Noh, Seong Jin; Lee, Seungsoo; An, Hyunuk; Kawaike, Kenji; Nakagawa, Hajime

    2016-11-01

    An urban flood is an integrated phenomenon that is affected by various uncertainty sources such as input forcing, model parameters, complex geometry, and exchanges of flow among different domains in surfaces and subsurfaces. Despite considerable advances in urban flood modeling techniques, limited knowledge is currently available with regard to the impact of dynamic interaction among different flow domains on urban floods. In this paper, an ensemble method for urban flood modeling is presented to consider the parameter uncertainty of interaction models among a manhole, a sewer pipe, and surface flow. Laboratory-scale experiments on urban flood and inundation are performed under various flow conditions to investigate the parameter uncertainty of interaction models. The results show that ensemble simulation using interaction models based on weir and orifice formulas reproduces experimental data with high accuracy and detects the identifiability of model parameters. Among interaction-related parameters, the parameters of the sewer-manhole interaction show lower uncertainty than those of the sewer-surface interaction. Experimental data obtained under unsteady-state conditions are more informative than those obtained under steady-state conditions to assess the parameter uncertainty of interaction models. Although the optimal parameters vary according to the flow conditions, the difference is marginal. Simulation results also confirm the capability of the interaction models and the potential of the ensemble-based approaches to facilitate urban flood simulation.

  16. A High Performance Chemical Simulation Preprocessor and Source Code Generator, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Numerical simulations of chemical kinetics are a critical component of aerospace research, Earth systems research, and energy research. These simulations enable a...

  17. Simulation of Flash-Flood-Producing Storm Events in Saudi Arabia Using the Weather Research and Forecasting Model

    KAUST Repository

    Deng, Liping

    2015-05-01

    The challenges of monitoring and forecasting flash-flood-producing storm events in data-sparse and arid regions are explored using the Weather Research and Forecasting (WRF) Model (version 3.5) in conjunction with a range of available satellite, in situ, and reanalysis data. Here, we focus on characterizing the initial synoptic features and examining the impact of model parameterization and resolution on the reproduction of a number of flood-producing rainfall events that occurred over the western Saudi Arabian city of Jeddah. Analysis from the European Centre for Medium-Range Weather Forecasts (ECMWF) interim reanalysis (ERA-Interim) data suggests that mesoscale convective systems associated with strong moisture convergence ahead of a trough were the major initial features for the occurrence of these intense rain events. The WRF Model was able to simulate the heavy rainfall, with driving convective processes well characterized by a high-resolution cloud-resolving model. The use of higher (1 km vs 5 km) resolution along the Jeddah coastline favors the simulation of local convective systems and adds value to the simulation of heavy rainfall, especially for deep-convection-related extreme values. At the 5-km resolution, corresponding to an intermediate study domain, simulation without a cumulus scheme led to the formation of deeper convective systems and enhanced rainfall around Jeddah, illustrating the need for careful model scheme selection in this transition resolution. In analysis of multiple nested WRF simulations (25, 5, and 1 km), localized volume and intensity of heavy rainfall together with the duration of rainstorms within the Jeddah catchment area were captured reasonably well, although there was evidence of some displacements of rainstorm events.

  18. Chemical interaction of tetravalent actinides simulators and the engineering barrier

    International Nuclear Information System (INIS)

    Chain, Pablo; Alba, Maria D.; Castro, Miguel A.; Pavon, Esperanza; Mar Orta, M.

    2010-01-01

    Document available in extended abstract form only. The Deep Geological Repository (DGR) is the most internationally accepted option for the storage of high radioactive wastes. This confinement is based on the Multi-barrier Concept where the engineered barrier is a crucial safety wise. Nowadays, bentonite is accepted as the best argillaceous material in the engineered barrier of DGR. Additionally to its well-known physical role, a chemical interaction between lutetium, as actinide simulator, and the smectite has been demonstrated. The existence of a reaction mechanism, which was not previously described, based on the chemical interaction between the lanthanide cations and the orthosilicate anions of the lamellar structure has been identified. This finding has aroused the interest of the scientific community because lanthanides are used as simulators of high activity radionuclide (HAR) in agreement with the guidelines established in the bibliography. It has been observed that in conditions of moderate temperature and pressure a chemical interaction exists between smectites and rare earth elements (RE) and phases of insoluble di-silicate, RE 2 Si 2 O 7 , which would immobilize RE, are generated. It is remarkable that the reaction extends to all the set of the smectites, although they do not display the same reactivity, the saponite being the most reactive. The main isotopes present in the HLW belong to the actinide elements Np, Pu, Am and Cm, in addition to uranium generated by neutron capture during the fuel combustion process. The study of the mobilization of actinide (IV) thorough the bentonite barrier is limited because of their radioactivity. However, U(IV), Np(IV), Pu(IV) and Th(IV) can be simulated by the stable isotopes of the Zr(IV) and Hf(IV), because they exhibit ionic radius and physicochemical properties very similar to those of the actinide elements. It is the main objective of this research to investigate the chemical interaction of Zr(IV) as actinide

  19. Hybrid framework for the simulation of stochastic chemical kinetics

    International Nuclear Information System (INIS)

    Duncan, Andrew; Erban, Radek; Zygalakis, Konstantinos

    2016-01-01

    Stochasticity plays a fundamental role in various biochemical processes, such as cell regulatory networks and enzyme cascades. Isothermal, well-mixed systems can be modelled as Markov processes, typically simulated using the Gillespie Stochastic Simulation Algorithm (SSA) [25]. While easy to implement and exact, the computational cost of using the Gillespie SSA to simulate such systems can become prohibitive as the frequency of reaction events increases. This has motivated numerous coarse-grained schemes, where the “fast” reactions are approximated either using Langevin dynamics or deterministically. While such approaches provide a good approximation when all reactants are abundant, the approximation breaks down when one or more species exist only in small concentrations and the fluctuations arising from the discrete nature of the reactions become significant. This is particularly problematic when using such methods to compute statistics of extinction times for chemical species, as well as simulating non-equilibrium systems such as cell-cycle models in which a single species can cycle between abundance and scarcity. In this paper, a hybrid jump-diffusion model for simulating well-mixed stochastic kinetics is derived. It acts as a bridge between the Gillespie SSA and the chemical Langevin equation. For low reactant reactions the underlying behaviour is purely discrete, while purely diffusive when the concentrations of all species are large, with the two different behaviours coexisting in the intermediate region. A bound on the weak error in the classical large volume scaling limit is obtained, and three different numerical discretisations of the jump-diffusion model are described. The benefits of such a formalism are illustrated using computational examples.

  20. Hybrid framework for the simulation of stochastic chemical kinetics

    Science.gov (United States)

    Duncan, Andrew; Erban, Radek; Zygalakis, Konstantinos

    2016-12-01

    Stochasticity plays a fundamental role in various biochemical processes, such as cell regulatory networks and enzyme cascades. Isothermal, well-mixed systems can be modelled as Markov processes, typically simulated using the Gillespie Stochastic Simulation Algorithm (SSA) [25]. While easy to implement and exact, the computational cost of using the Gillespie SSA to simulate such systems can become prohibitive as the frequency of reaction events increases. This has motivated numerous coarse-grained schemes, where the "fast" reactions are approximated either using Langevin dynamics or deterministically. While such approaches provide a good approximation when all reactants are abundant, the approximation breaks down when one or more species exist only in small concentrations and the fluctuations arising from the discrete nature of the reactions become significant. This is particularly problematic when using such methods to compute statistics of extinction times for chemical species, as well as simulating non-equilibrium systems such as cell-cycle models in which a single species can cycle between abundance and scarcity. In this paper, a hybrid jump-diffusion model for simulating well-mixed stochastic kinetics is derived. It acts as a bridge between the Gillespie SSA and the chemical Langevin equation. For low reactant reactions the underlying behaviour is purely discrete, while purely diffusive when the concentrations of all species are large, with the two different behaviours coexisting in the intermediate region. A bound on the weak error in the classical large volume scaling limit is obtained, and three different numerical discretisations of the jump-diffusion model are described. The benefits of such a formalism are illustrated using computational examples.

  1. Hybrid framework for the simulation of stochastic chemical kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Duncan, Andrew, E-mail: a.duncan@imperial.ac.uk [Department of Mathematics, Imperial College, South Kensington Campus, London, SW7 2AZ (United Kingdom); Erban, Radek, E-mail: erban@maths.ox.ac.uk [Mathematical Institute, University of Oxford, Radcliffe Observatory Quarter, Woodstock Road, Oxford, OX2 6GG (United Kingdom); Zygalakis, Konstantinos, E-mail: k.zygalakis@ed.ac.uk [School of Mathematics, University of Edinburgh, Peter Guthrie Tait Road, Edinburgh, EH9 3FD (United Kingdom)

    2016-12-01

    Stochasticity plays a fundamental role in various biochemical processes, such as cell regulatory networks and enzyme cascades. Isothermal, well-mixed systems can be modelled as Markov processes, typically simulated using the Gillespie Stochastic Simulation Algorithm (SSA) [25]. While easy to implement and exact, the computational cost of using the Gillespie SSA to simulate such systems can become prohibitive as the frequency of reaction events increases. This has motivated numerous coarse-grained schemes, where the “fast” reactions are approximated either using Langevin dynamics or deterministically. While such approaches provide a good approximation when all reactants are abundant, the approximation breaks down when one or more species exist only in small concentrations and the fluctuations arising from the discrete nature of the reactions become significant. This is particularly problematic when using such methods to compute statistics of extinction times for chemical species, as well as simulating non-equilibrium systems such as cell-cycle models in which a single species can cycle between abundance and scarcity. In this paper, a hybrid jump-diffusion model for simulating well-mixed stochastic kinetics is derived. It acts as a bridge between the Gillespie SSA and the chemical Langevin equation. For low reactant reactions the underlying behaviour is purely discrete, while purely diffusive when the concentrations of all species are large, with the two different behaviours coexisting in the intermediate region. A bound on the weak error in the classical large volume scaling limit is obtained, and three different numerical discretisations of the jump-diffusion model are described. The benefits of such a formalism are illustrated using computational examples.

  2. Impacts of spatial resolution and representation of flow connectivity on large-scale simulation of floods

    OpenAIRE

    C. M. R. Mateo; C. M. R. Mateo; D. Yamazaki; D. Yamazaki; H. Kim; A. Champathong; J. Vaze; T. Oki; T. Oki

    2017-01-01

    Global-scale river models (GRMs) are core tools for providing consistent estimates of global flood hazard, especially in data-scarce regions. Due to former limitations in computational power and input datasets, most GRMs have been developed to use simplified representations of flow physics and run at coarse spatial resolutions. With increasing computational power and improved datasets, the application of GRMs to finer resolutions is becoming a reality. To support development...

  3. Impacts of spatial resolution and representation of flow connectivity on large-scale simulation of floods

    OpenAIRE

    Mateo, Cherry May R.; Yamazaki, Dai; Kim, Hyungjun; Champathong, Adisorn; Vaze, Jai; Oki, Taikan

    2017-01-01

    Global-scale River Models (GRMs) are core tools for providing consistent estimates of global flood hazard, especially in data-scarce regions. Due to former limitations in computational power and input datasets, most GRMs have been developed to use simplified representation of flow physics and run at coarse spatial resolutions. With increasing computational power and improved datasets, the application of GRMs to finer resolutions is becoming a reality. To support development in this direction,...

  4. Simulation of coastal floodings during a typhoon event with the consideration of future sea-level rises.

    Science.gov (United States)

    Shu-Huei, Jhang; Chih-Chung, Wen; Dong-Jiing, Doong; Cheng-Han, Tsai

    2017-04-01

    Taiwan is an Island in the western Pacific Ocean and experienced more than 3 typhoons in a year. Typhoons bring intense rainfall, high waves, and storm surges, which often resulted in coastal flooding. The flooding can be aggravated by the sea level rise due to the global warming, which may subject Taiwan's coastal areas to more serious damage in the future than present. The objectives of this study are to investigate the flooding caused by typhoons in the Annan District, Tainan, a city on the southwest coast of Taiwan by numerical simulations, considering the effects of sea-level rises according to the level suggested by the 5th Assessment Report of IPCC (Intergovernmental Panel on Climate Change) for 2050 and 2100, respectively. The simulations were carried out by using MIKE21 HD (a hydrodynamic model) and MIKE21 SW (a spectral wave model). In our simulation, we used an intense typhoon, named Soudelor, as our base typhoon, which made its landfall on the east coast of Taiwan in the summer of 2015, traveled through the width of the island, and exited the island to the north of Tainan. The reasons we pick this typhoon are that it passed near our objective area, wind field data for this typhoon are available, and we have well documented coastal wave and water level measurements during the passage of Typhoon Soudelor. We firstly used ECMWF (European Centre for Medium-Range Weather Forecasts) wind field data to reconstruct typhoon waves and storm surges for this typhoon by using coupled MIKE21 SW and MIKE21 HD in a regional model. The resultant simulated wave height and sea-level height matched satisfactorily with the measured data. The wave height and storm surge calculated by the regional model provided the boundary conditions for our fine-grid domain. Then different sea-level rises suggested by the IPCC were incorporated into the fine-grid model. Since river discharge due to intense rainfall has also to be considered for coastal flooding, our fine-grid models

  5. Chapter 3 – VPPD-Lab: The Chemical Product Simulator

    DEFF Research Database (Denmark)

    Kalakul, Sawitree; Cignitti, Stefano; Zhang, L.

    2017-01-01

    for computer-aided chemical product design and evaluation, implemented in the software called VPPD-Lab, is presented. In the same way a typical process simulator works, the VPPD-Lab allows users to: (1) analyze chemical-based products by performing virtual experiments (product property and performance......Computer-aided methods and tools for current and future product–process design and development need to manage problems requiring efficient handling of models, data, and knowledge from different sources and at different times and size scales. In this chapter, a systematic model-based framework...... lotion design. Through these case studies, the use of design templates, associated workflows (methods), data flows (software integration), and solution strategies (database and tools) are highlighted....

  6. Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways.

    Science.gov (United States)

    Bai, Shirong; Skodje, Rex T

    2017-08-17

    A new approach is presented for simulating the time-evolution of chemically reactive systems. This method provides an alternative to conventional modeling of mass-action kinetics that involves solving differential equations for the species concentrations. The method presented here avoids the need to solve the rate equations by switching to a representation based on chemical pathways. In the Sum Over Histories Representation (or SOHR) method, any time-dependent kinetic observable, such as concentration, is written as a linear combination of probabilities for chemical pathways leading to a desired outcome. In this work, an iterative method is introduced that allows the time-dependent pathway probabilities to be generated from a knowledge of the elementary rate coefficients, thus avoiding the pitfalls involved in solving the differential equations of kinetics. The method is successfully applied to the model Lotka-Volterra system and to a realistic H 2 combustion model.

  7. Computational Fluid Dynamics simulations of the Late Pleistocene Lake Bonneville Flood

    Science.gov (United States)

    Abril-Hernández, José M.; Periáñez, Raúl; O'Connor, Jim E.; Garcia-Castellanos, Daniel

    2018-06-01

    At approximately 18.0 ka, pluvial Lake Bonneville reached its maximum level. At its northeastern extent it was impounded by alluvium of the Marsh Creek Fan, which breached at some point north of Red Rock Pass (Idaho), leading to one of the largest floods on Earth. About 5320 km3 of water was discharged into the Snake River drainage and ultimately into the Columbia River. We use a 0D model and a 2D non-linear depth-averaged hydrodynamic model to aid understanding of outflow dynamics, specifically evaluating controls on the amount of water exiting the Lake Bonneville basin exerted by the Red Rock Pass outlet lithology and geometry as well as those imposed by the internal lake geometry of the Bonneville basin. These models are based on field evidence of prominent lake levels, hypsometry and terrain elevations corrected for post-flood isostatic deformation of the lake basin, as well as reconstructions of the topography at the outlet for both the initial and final stages of the flood. Internal flow dynamics in the northern Lake Bonneville basin during the flood were affected by the narrow passages separating the Cache Valley from the main body of Lake Bonneville. This constriction imposed a water-level drop of up to 2.7 m at the time of peak-flow conditions and likely reduced the peak discharge at the lake outlet by about 6%. The modeled peak outlet flow is 0.85·106 m3 s-1. Energy balance calculations give an estimate for the erodibility coefficient for the alluvial Marsh Creek divide of ∼0.005 m y-1 Pa-1.5, at least two orders of magnitude greater than for the underlying bedrock at the outlet. Computing quasi steady-state water flows, water elevations, water currents and shear stresses as a function of the water-level drop in the lake and for the sequential stages of erosion in the outlet gives estimates of the incision rates and an estimate of the outflow hydrograph during the Bonneville Flood: About 18 days would have been required for the outflow to grow from 10

  8. Computational fluid dynamics simulations of the Late Pleistocene Lake Bonneville flood

    Science.gov (United States)

    Abril-Hernández, José M.; Periáñez, Raúl; O'Connor, Jim E.; Garcia-Castellanos, Daniel

    2018-01-01

    At approximately 18.0 ka, pluvial Lake Bonneville reached its maximum level. At its northeastern extent it was impounded by alluvium of the Marsh Creek Fan, which breached at some point north of Red Rock Pass (Idaho), leading to one of the largest floods on Earth. About 5320 km3 of water was discharged into the Snake River drainage and ultimately into the Columbia River. We use a 0D model and a 2D non-linear depth-averaged hydrodynamic model to aid understanding of outflow dynamics, specifically evaluating controls on the amount of water exiting the Lake Bonneville basin exerted by the Red Rock Pass outlet lithology and geometry as well as those imposed by the internal lake geometry of the Bonneville basin. These models are based on field evidence of prominent lake levels, hypsometry and terrain elevations corrected for post-flood isostatic deformation of the lake basin, as well as reconstructions of the topography at the outlet for both the initial and final stages of the flood. Internal flow dynamics in the northern Lake Bonneville basin during the flood were affected by the narrow passages separating the Cache Valley from the main body of Lake Bonneville. This constriction imposed a water-level drop of up to 2.7 m at the time of peak-flow conditions and likely reduced the peak discharge at the lake outlet by about 6%. The modeled peak outlet flow is 0.85·106 m3 s−1. Energy balance calculations give an estimate for the erodibility coefficient for the alluvial Marsh Creek divide of ∼0.005 m y−1 Pa−1.5, at least two orders of magnitude greater than for the underlying bedrock at the outlet. Computing quasi steady-state water flows, water elevations, water currents and shear stresses as a function of the water-level drop in the lake and for the sequential stages of erosion in the outlet gives estimates of the incision rates and an estimate of the outflow hydrograph during the Bonneville Flood: About 18 days would have been required for the

  9. Performance predictions for solar-chemical convertors by computer simulation

    Energy Technology Data Exchange (ETDEWEB)

    Luttmer, J.D.; Trachtenberg, I.

    1985-08-01

    A computer model which simulates the operation of Texas Instruments solar-chemical convertor (SCC) was developed. The model allows optimization of SCC processes, material, and configuration by facilitating decisions on tradeoffs among ease of manufacturing, power conversion efficiency, and cost effectiveness. The model includes various algorithms which define the electrical, electrochemical, and resistance parameters and which describ the operation of the discrete components of the SCC. Results of the model which depict the effect of material and geometric changes on various parameters are presented. The computer-calculated operation is compared with experimentall observed hydrobromic acid electrolysis rates.

  10. Numerical simulation of air hypersonic flows with equilibrium chemical reactions

    Science.gov (United States)

    Emelyanov, Vladislav; Karpenko, Anton; Volkov, Konstantin

    2018-05-01

    The finite volume method is applied to solve unsteady three-dimensional compressible Navier-Stokes equations on unstructured meshes. High-temperature gas effects altering the aerodynamics of vehicles are taken into account. Possibilities of the use of graphics processor units (GPUs) for the simulation of hypersonic flows are demonstrated. Solutions of some test cases on GPUs are reported, and a comparison between computational results of equilibrium chemically reacting and perfect air flowfields is performed. Speedup of solution on GPUs with respect to the solution on central processor units (CPUs) is compared. The results obtained provide promising perspective for designing a GPU-based software framework for practical applications.

  11. DYNSYL: a general-purpose dynamic simulator for chemical processes

    International Nuclear Information System (INIS)

    Patterson, G.K.; Rozsa, R.B.

    1978-01-01

    Lawrence Livermore Laboratory is conducting a safeguards program for the Nuclear Regulatory Commission. The goal of the Material Control Project of this program is to evaluate material control and accounting (MCA) methods in plants that handle special nuclear material (SNM). To this end we designed and implemented the dynamic chemical plant simulation program DYNSYL. This program can be used to generate process data or to provide estimates of process performance; it simulates both steady-state and dynamic behavior. The MCA methods that may have to be evaluated range from sophisticated on-line material trackers such as Kalman filter estimators, to relatively simple material balance procedures. This report describes the overall structure of DYNSYL and includes some example problems. The code is still in the experimental stage and revision is continuing

  12. Chemical Resistance of Disposable Nitrile Gloves Exposed to Simulated Movement

    Science.gov (United States)

    Phalen, Robert N.; Wong, Weng Kee

    2012-01-01

    Large discrepancies between laboratory permeation testing and field exposures have been reported, with indications that hand movement could account for a portion of these differences. This study evaluated the influence of simulated movement on chemical permeation of 30 different disposable nitrile glove products. Products were investigated out-of-box and with exposure to simulated whole-glove movement. Permeation testing was conducted using ethanol as a surrogate test chemical. A previously designed pneumatic system was used to simulate hand movement. No movement and movement tests were matched-paired to control for environmental conditions, as were statistical analyses. Permeation data were collected for a 30-min exposure period or until a breakthrough time (BT) and steady-state permeation rate (SSPR) could be determined. A third parameter, area under the curve at 30 min (AUC-30), was used to estimate potential worker exposure. With movement, a significant decrease in BT (p ≤ 0.05), ranging from 6–33%, was observed for 28 products. The average decrease in BT was 18% (p ≤ 0.001). With movement, a significant increase in SSPR (p ≤ 0.05), ranging from 1–78%, was observed with 25 products. The average increase in SSPR was 18% (p ≤ 0.001). Significant increases in AUC-30 (p ≤ 0.05), ranging from 23–277%, were also observed for all products where it could be calculated. On average, there was a 58% increase (p ≤ 0.001). The overall effect of movement on permeation through disposable nitrile gloves was significant. Simulated movement significantly shortened the BT, increased the SSPR, and increased the cumulative 30-min exposure up to three times. Product variability also accounted for large differences, up to 40 times, in permeation and cumulative exposure. Glove selection must take these factors into account. It cannot be assumed that all products will perform in a similar manner. PMID:23009187

  13. Flood pulse influence and anthropic impact on the chemical composition and energy content of Oryza glumaepatula in an Amazonian lake

    Directory of Open Access Journals (Sweden)

    A. Enrich-Prast

    Full Text Available The aim of this research was to study the flood pulse influence and the anthropic impact caused by bauxite tailings on the chemical composition of O. glumaepatula in Batata lake (PA, Brazil. Sampling was carried out in stands of O. glumaepatula in the low-water, filling, high-water, and drawdown periods in impacted and natural areas of Batata lake. During the low-water and drawdown periods the stands of O. glumaepatula were exposed, and in the filling and high-water periods the water depth was respectively 1.4 and 3.8 m. The collected material was dried at 70ºC, ground, and concentrations of total phosphorus, total nitrogen, organic carbon, and energy content were determined. The results indicate that the biomass increase, caused by the rise in water level, has a dilution effect on nitrogen and phosphorus concentrations in O. glumaepatula. The energy contents did not present significant differences in any of the studied periods. The results suggest that from the low water to filling period, nitrogen becomes more limiting to O. glumaepatula in the impacted area, whereas phosphorus becomes more limiting in the natural area. The population of O. glumaepatula contributes to the recovery of the impacted area of Batata lake as the detritus from this species accumulates over the sediment. This accumulation impedes future re-suspension of the bauxite tailings and increases the organic matter and nutrient concentrations in the impacted sediment.

  14. Study of the adaptive refinement on an open source 2D shallow-water flow solver using quadtree grid for flash flood simulations.

    Science.gov (United States)

    Kirstetter, G.; Popinet, S.; Fullana, J. M.; Lagrée, P. Y.; Josserand, C.

    2015-12-01

    The full resolution of shallow-water equations for modeling flash floods may have a high computational cost, so that majority of flood simulation softwares used for flood forecasting uses a simplification of this model : 1D approximations, diffusive or kinematic wave approximations or exotic models using non-physical free parameters. These kind of approximations permit to save a lot of computational time by sacrificing in an unquantified way the precision of simulations. To reduce drastically the cost of such 2D simulations by quantifying the lost of precision, we propose a 2D shallow-water flow solver built with the open source code Basilisk1, which is using adaptive refinement on a quadtree grid. This solver uses a well-balanced central-upwind scheme, which is at second order in time and space, and treats the friction and rain terms implicitly in finite volume approach. We demonstrate the validity of our simulation on the case of the flood of Tewkesbury (UK) occurred in July 2007, as shown on Fig. 1. On this case, a systematic study of the impact of the chosen criterium for adaptive refinement is performed. The criterium which has the best computational time / precision ratio is proposed. Finally, we present the power law giving the computational time in respect to the maximum resolution and we show that this law for our 2D simulation is close to the one of 1D simulation, thanks to the fractal dimension of the topography. [1] http://basilisk.fr/

  15. Improving Chemical EOR Simulations and Reducing the Subsurface Uncertainty Using Downscaling Conditioned to Tracer Data

    KAUST Repository

    Torrealba, Victor A.

    2017-10-02

    Recovery mechanisms are more likely to be influenced by grid-block size and reservoir heterogeneity in Chemical EOR (CEOR) than in conventional Water Flood (WF) simulations. Grid upscaling based on single-phase flow is a common practice in WF simulation models, where simulation grids are coarsened to perform history matching and sensitivity analyses within affordable computational times. This coarse grid resolution (typically about 100 ft.) could be sufficient in WF, however, it usually fails to capture key physical mechanisms in CEOR. In addition to increased numerical dispersion in coarse models, these models tend to artificially increase the level of mixing between the fluids and may not have enough resolution to capture different length scales of geological features to which EOR processes can be highly sensitive. As a result of which, coarse models usually overestimate the sweep efficiency, and underestimate the displacement efficiency. Grid refinement (simple downscaling) can resolve artificial mixing but appropriately re-creating the fine-scale heterogeneity, without degrading the history-match conducted on the coarse-scale, remains a challenge. Because of the difference in recovery mechanisms involved in CEOR, such as miscibility and thermodynamic phase split, the impact of grid downscaling on CEOR simulations is not well understood. In this work, we introduce a geostatistical downscaling method conditioned to tracer data to refine a coarse history-matched WF model. This downscaling process is necessary for CEOR simulations when the original (fine) earth model is not available or when major disconnects occur between the original earth model and the history-matched coarse WF model. The proposed downscaling method is a process of refining the coarse grid, and populating the relevant properties in the newly created finer grid cells. The method considers the values of rock properties in the coarse grid as hard data, and the corresponding variograms and property

  16. Chemical composition and antioxidant activity of geopropolis produced by Melipona fasciculata (Meliponinae) in flooded fields and cerrado areas of Maranhão State, northeastern Brazil

    OpenAIRE

    BATISTA,Marisa Cristina Aranha; ABREU,Bruno Vinicius de Barros; DUTRA,Richard Pereira; CUNHA,Mayara Soares; AMARAL,Flavia Maria Mendonça do; TORRES,Luce Maria Brandão; RIBEIRO,Maria Nilce de Sousa

    2016-01-01

    ABSTRACT Geopropolis, a mixture of plant resin, wax, soil and salivary secretion, is produced by the stingless bee Melipona fasciculata. This aim of this study was to investigate the chemical composition and antioxidant activity of geopropolis collected from beehives in two phytogeographical regions, flooded fields and cerrado, in the municipalities of Palmeirândia and Fernando Falcão, Maranhão State, northeastern Brazil. The geopropolis compounds were identified by gas chromatography-mass sp...

  17. Urban pluvial flood prediction

    DEFF Research Database (Denmark)

    Thorndahl, Søren Liedtke; Nielsen, Jesper Ellerbæk; Jensen, David Getreuer

    2016-01-01

    Flooding produced by high-intensive local rainfall and drainage system capacity exceedance can have severe impacts in cities. In order to prepare cities for these types of flood events – especially in the future climate – it is valuable to be able to simulate these events numerically both...... historically and in real-time. There is a rather untested potential in real-time prediction of urban floods. In this paper radar data observations with different spatial and temporal resolution, radar nowcasts of 0–2 h lead time, and numerical weather models with lead times up to 24 h are used as inputs...... to an integrated flood and drainage systems model in order to investigate the relative difference between different inputs in predicting future floods. The system is tested on a small town Lystrup in Denmark, which has been flooded in 2012 and 2014. Results show it is possible to generate detailed flood maps...

  18. Development of an Advanced Simulator to Model Mobility Control and Geomechanics during CO{sub 2} Floods

    Energy Technology Data Exchange (ETDEWEB)

    Delshad, Mojdeh; Wheeler, Mary; Sepehrnoori, Kamy; Pope, Gary

    2013-12-31

    The simulator is an isothermal, three-dimensional, four-phase, compositional, equation-of– state (EOS) simulator. We have named the simulator UTDOE-CO2 capable of simulating various recovery processes (i.e., primary, secondary waterflooding, and miscible and immiscible gas flooding). We include both the Peng-Robinson EOS and the Redlich-Kwong EOS models. A Gibbs stability test is also included in the model to perform a phase identification test to consistently label each phase for subsequent property calculations such as relative permeability, viscosity, density, interfacial tension, and capillary pressure. Our time step strategy is based on an IMPEC-type method (implicit pressure and explicit concentration). The gridblock pressure is solved first using the explicit dating of saturation-dependent terms. Subsequently, the material balance equations are solved explicitly for the total concentration of each component. The physical dispersion term is also included in the governing equations. The simulator includes (1) several foam model(s) for gas mobility control, (2) compositional relative permeability models with the hysteresis option, (3) corner point grid and several efficient solvers, (4) geomechanics module to compute stress field as the result of CO{sub 2} injection/production, (5) the format of commercial visualization software, S3graf from Science-soft Ltd., was implemented for user friendly visualization of the simulation results. All tasks are completed and the simulator was fully tested and delivered to the DOE office including a user’s guide and several input files and the executable for Windows Pcs. We have published several SPE papers, presented several posters, and one MS thesis is completed (V. Pudugramam, 2013) resulting from this DOE funded project.

  19. Direct numerical simulation of turbulent, chemically reacting flows

    Science.gov (United States)

    Doom, Jeffrey Joseph

    This dissertation: (i) develops a novel numerical method for DNS/LES of compressible, turbulent reacting flows, (ii) performs several validation simulations, (iii) studies auto-ignition of a hydrogen vortex ring in air and (iv) studies a hydrogen/air turbulent diffusion flame. The numerical method is spatially non-dissipative, implicit and applicable over a range of Mach numbers. The compressible Navier-Stokes equations are rescaled so that the zero Mach number equations are discretely recovered in the limit of zero Mach number. The dependent variables are co--located in space, and thermodynamic variables are staggered from velocity in time. The algorithm discretely conserves kinetic energy in the incompressible, inviscid, non--reacting limit. The chemical source terms are implicit in time to allow for stiff chemical mechanisms. The algorithm is readily applicable to complex chemical mechanisms. Good results are obtained for validation simulations. The algorithm is used to study auto-ignition in laminar vortex rings. A nine species, nineteen reaction mechanism for H2/air combustion proposed by Mueller et al. [37] is used. Diluted H 2 at ambient temperature (300 K) is injected into hot air. The simulations study the effect of fuel/air ratio, oxidizer temperature, Lewis number and stroke ratio (ratio of piston stroke length to diameter). Results show that auto--ignition occurs in fuel lean, high temperature regions with low scalar dissipation at a 'most reactive' mixture fraction, zeta MR (Mastorakos et al. [32]). Subsequent evolution of the flame is not predicted by zetaMR; a most reactive temperature TMR is defined and shown to predict both the initial auto-ignition as well as subsequent evolution. For stroke ratios less than the formation number, ignition in general occurs behind the vortex ring and propagates into the core. At higher oxidizer temperatures, ignition is almost instantaneous and occurs along the entire interface between fuel and oxidizer. For stroke

  20. Evaluating adaptation options for urban flooding based on new high-end emission scenario regional climate model simulations

    DEFF Research Database (Denmark)

    Arnbjerg-Nielsen, Karsten; Leonardsen, L.; Madsen, Henrik

    2015-01-01

    Climate change adaptation studies on urban flooding are often based on a model chain approach from climate forcing scenarios to analysis of adaptation measures. Previous analyses of climate change impacts in Copenhagen, Denmark, were supplemented by 2 high-end scenario simulations. These include...... a regional climate model projection forced to a global temperature increase of 6 degrees C in 2100 as well as a projection based on a high radiative forcing scenario (RCP8.5). With these scenarios, projected impacts of extreme precipitation increase significantly. For extreme sea surges, the impacts do...... by almost 4 and 8 times the current EAD for the RCP8.5 and 6 degrees C scenario, respectively. For both hazards, business-as-usual is not a possible scenario, since even in the absence of policy-driven changes, significant autonomous adaptation is likely to occur. Copenhagen has developed an adaptation plan...

  1. Foundations for computer simulation of a low pressure oil flooded single screw air compressor

    Science.gov (United States)

    Bein, T. W.

    1981-12-01

    The necessary logic to construct a computer model to predict the performance of an oil flooded, single screw air compressor is developed. The geometric variables and relationships used to describe the general single screw mechanism are developed. The governing equations to describe the processes are developed from their primary relationships. The assumptions used in the development are also defined and justified. The computer model predicts the internal pressure, temperature, and flowrates through the leakage paths throughout the compression cycle of the single screw compressor. The model uses empirical external values as the basis for the internal predictions. The computer values are compared to the empirical values, and conclusions are drawn based on the results. Recommendations are made for future efforts to improve the computer model and to verify some of the conclusions that are drawn.

  2. Chemical durability of simulated nuclear glasses containing water

    International Nuclear Information System (INIS)

    Li, H.; Tomozawa, M.

    1995-04-01

    The chemical durability of simulated nuclear waste glasses having different water contents was studied. Results from the product consistency test (PCT) showed that glass dissolution increased with water content in the glass. This trend was not observed during MCC-1 testing. This difference was attributed to the differences in reactions between glass and water. In the PCT, the glass network dissolution controlled the elemental releases, and water in the glass accelerated the reaction rate. On the other hand, alkali ion exchange with hydronium played an important role in the MCC-1. For the latter, the amount of water introduced into a leached layer from ion-exchange was found to be much greater than that of initially incorporated water in the glass. Hence, the initial water content has no effect on glass dissolution as measured by the MCC-1 test

  3. Two-dimensional simulation of the June 11, 2010, flood of the Little Missouri River at Albert Pike Recreational Area, Ouachita National Forest, Arkansas

    Science.gov (United States)

    Wagner, Daniel M.

    2013-01-01

    In the early morning hours of June 11, 2010, substantial flooding occurred at Albert Pike Recreation Area in the Ouachita National Forest of west-central Arkansas, killing 20 campers. The U.S. Forest Service needed information concerning the extent and depth of flood inundation, the water velocity, and flow paths throughout Albert Pike Recreation Area for the flood and for streamflows corresponding to annual exceedence probabilities of 1 and 2 percent. The two-dimensional flow model Fst2DH, part of the Federal Highway Administration’s Finite Element Surface-water Modeling System, and the graphical user interface Surface-water Modeling System (SMS) were used to perform a steady-state simulation of the flood in a 1.5-mile reach of the Little Missouri River at Albert Pike Recreation Area. Peak streamflows of the Little Missouri River and tributary Brier Creek served as inputs to the simulation, which was calibrated to the surveyed elevations of high-water marks left by the flood and then used to predict flooding that would result from streamflows corresponding to annual exceedence probabilities of 1 and 2 percent. The simulated extent of the June 11, 2010, flood matched the observed extent of flooding at Albert Pike Recreation Area. The mean depth of inundation in the camp areas was 8.5 feet in Area D, 7.4 feet in Area C, 3.8 feet in Areas A, B, and the Day Use Area, and 12.5 feet in Lowry’s Camp Albert Pike. The mean water velocity was 7.2 feet per second in Area D, 7.6 feet per second in Area C, 7.2 feet per second in Areas A, B, and the Day Use Area, and 7.6 feet per second in Lowry’s Camp Albert Pike. A sensitivity analysis indicated that varying the streamflow of the Little Missouri River had the greatest effect on simulated water-surface elevation, while varying the streamflow of tributary Brier Creek had the least effect. Simulated water-surface elevations were lower than those modeled by the U.S. Forest Service using the standard-step method, but the

  4. NUMERICAL SIMULATION OF TOXIC CHEMICAL DISPERSION AFTER ACCIDENT AT RAILWAY

    Directory of Open Access Journals (Sweden)

    M. M. Biliaiev

    2016-04-01

    Full Text Available Purpose. This research focuses on the development of an applied numerical model to calculate the dynamics of atmospheric pollution in the emission of dangerous chemical substances in the event of transportation by railway. Methodology. For the numerical simulation of transport process of the dangerous chemical substance in the atmosphere the equation of convection-diffusion pollutant transport is used. This equation takes into account the effect of wind, atmospheric diffusion, the power of emission source, as well as the movement of the source of emission (depressurized tank on the process of pollutant dispersion. When carrying out computing experiment one also takes into account the profile of the speed of the wind flow. For the numerical integration of pollutant transport in the atmosphere implicit finite-difference splitting scheme is used. The numerical calculation is divided into four steps of splitting and at each step of splitting the unknown value of the concentration of hazardous substance is determined by the explicit running account scheme. On the basis of the numerical model it was created the code using the algorithmic language FORTRAN. One conducted the computational experiments to assess the level of air pollution near the railway station «Illarionovo» in the event of a possible accident during transportation of ammonia. Findings. The proposed model allows you to quickly calculate the air pollution after the emission of chemically hazardous substance, taking into account the motion of the emission source. The model makes it possible to determine the size of the land surface pollution zones and the amount of pollutants deposited on a specific area. Using the developed numerical model it was estimated the environmental damage near the railway station «Illarionovo». Originality. One can use the numerical model to calculate the size and intensity of the chemical contamination zones after accidents on transport. Practical value

  5. Origin of chemically distinct discs in the Auriga cosmological simulations

    Science.gov (United States)

    Grand, Robert J. J.; Bustamante, Sebastián; Gómez, Facundo A.; Kawata, Daisuke; Marinacci, Federico; Pakmor, Rüdiger; Rix, Hans-Walter; Simpson, Christine M.; Sparre, Martin; Springel, Volker

    2018-03-01

    The stellar disc of the Milky Way shows complex spatial and abundance structure that is central to understanding the key physical mechanisms responsible for shaping our Galaxy. In this study, we use six very high resolution cosmological zoom-in simulations of Milky Way-sized haloes to study the prevalence and formation of chemically distinct disc components. We find that our simulations develop a clearly bimodal distribution in the [α/Fe]-[Fe/H] plane. We find two main pathways to creating this dichotomy, which operate in different regions of the galaxies: (a) an early (z > 1) and intense high-[α/Fe] star formation phase in the inner region (R ≲ 5 kpc) induced by gas-rich mergers, followed by more quiescent low-[α/Fe] star formation; and (b) an early phase of high-[α/Fe] star formation in the outer disc followed by a shrinking of the gas disc owing to a temporarily lowered gas accretion rate, after which disc growth resumes. In process (b), a double-peaked star formation history around the time and radius of disc shrinking accentuates the dichotomy. If the early star formation phase is prolonged (rather than short and intense), chemical evolution proceeds as per process (a) in the inner region, but the dichotomy is less clear. In the outer region, the dichotomy is only evident if the first intense phase of star formation covers a large enough radial range before disc shrinking occurs; otherwise, the outer disc consists of only low-[α/Fe] sequence stars. We discuss the implication that both processes occurred in the Milky Way.

  6. An integrated simulation method for flash-flood risk assessment: 2. Effects of changes in land-use under a historical perspective

    Science.gov (United States)

    Rosso, R.; Rulli, M. C.

    The influence of land use changes on flood occurrence and severity in the Bisagno River (Thyrrenian Liguria, N.W. Italy is investigated using a Monte Carlo simulation approach (Rulli and Rosso, 2002). High resolution land-use maps for the area were reconstructed and scenario simulations were made for a pre-industrial (1878), an intermediate (1930) and a current (1980) year. Land-use effects were explored to assess the consequences of distributed changes in land use due to agricultural practice and urbanisation. Hydraulic conveyance effects were considered, to assess the consequences of channel modifications associated with engineering works in the lower Bisagno River network. Flood frequency analyses of the annual flood series, retrieved from the simulations, were used to examine the effect of land-use change and river conveyance on flood regime. The impact of these effects proved to be negligible in the upper Bisagno River, moderate in the downstream river and severe in the small tributaries in the lower Bisagno valley that drain densely populated urban areas. The simulation approach is shown to be capable of incorporating historical data on landscape and river patterns into quantitative methods for risk assessment.

  7. Concentration-discharge relationships during an extreme event: Contrasting behavior of solutes and changes to chemical quality of dissolved organic material in the Boulder Creek Watershed during the September 2013 flood: SOLUTE FLUX IN A FLOOD EVENT

    Energy Technology Data Exchange (ETDEWEB)

    Rue, Garrett P. [Institute of Arctic and Alpine Research, University of Colorado, Boulder Colorado USA; Rock, Nathan D. [Institute of Arctic and Alpine Research, University of Colorado, Boulder Colorado USA; Gabor, Rachel S. [Institute of Arctic and Alpine Research, University of Colorado, Boulder Colorado USA; Pitlick, John [Department of Geography, University of Colorado, Boulder Colorado USA; Tfaily, Malak [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland Washington USA; McKnight, Diane M. [Institute of Arctic and Alpine Research, University of Colorado, Boulder Colorado USA

    2017-07-01

    During the week of September 10-17, 2013, close to 20 inches of rain fell across Boulder County, Colorado, USA. This rainfall represented a 1000-year event that caused massive hillslope erosion, landslides, and mobilization of sediments. The resultant stream flows corresponded to a 100-year flood. For the Boulder Creek Critical Zone Observatory (BC-CZO), this event provided an opportunity to study the effect of extreme rainfall on solute concentration-discharge relationships and biogeochemical catchment processes. We observed base cation and dissolved organic carbon (DOC) concentrations at two sites on Boulder Creek following the recession of peak flow. We also isolated three distinct fractions of dissolved organic matter (DOM) for chemical characterization. At the upper site, which represented the forested mountain catchment, the concentrations of the base cations Ca, Mg and Na were greatest at the peak flood and decreased only slightly, in contrast with DOC and K concentrations, which decreased substantially. At the lower site within urban corridor, all solutes decreased abruptly after the first week of flow recession, with base cation concentrations stabilizing while DOC and K continued to decrease. Additionally, we found significant spatiotemporal trends in the chemical quality of organic matter exported during the flood recession, as measured by fluorescence, 13C-NMR spectroscopy, and FTICR-MS. Similar to the effect of extreme rainfall events in driving landslides and mobilizing sediments, our findings suggest that such events mobilize solutes by the flushing of the deeper layers of the critical zone, and that this flushing regulates terrestrial-aquatic biogeochemical linkages during the flow recession.

  8. Surfactant loss control in chemical flooding: Spectroscopic and calorimetric study of adsorption and precipitation on reservoir minerals. Annual report, September 30, 1992--September 30, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Somasundaran, P.

    1994-07-01

    The aim of this research project is to investigate mechanisms underlying adsorption and surface precipitation of flooding surfactants on reservoir minerals. Effects of surfactant structure, surfactant combinations, various inorganic and polymeric species, and solids mineralogy will be determined. A multi-pronged approach consisting of micro & nano spectroscopy, microcalorimetry, electrokinetics, surface tension and wettability; is used in this study. The results obtained should help in controlling surfactant loss in chemical flooding and in developing optimum structures and conditions for efficient chemical flooding processes. During the first year of this three year contract, adsorption of single surfactants and select surfactant mixtures was studied at the solid-liquid and gas-liquid interfaces. Surfactants studied include alkyl xylene sulfonates, polyethoxylated alkyl phenols, octaethylene glycol mono n-decyl ether, and tetradecyl trimethyl ammonium chloride. Adsorption of surfactant mixtures of varying composition was also investigated. The microstructure of the adsorbed layer was characterized using fluorescence spectroscopy. Changes interfacial properties such as wettability, electrokinetics and stability of reservoir minerals were correlated with the amount of reagent adsorbed. Strong effects of the structure of the surfactant and position of functional groups were revealed.

  9. Surfactant loss control in chemical flooding spectroscopic and calorimetric study of adsorption and precipitation on reservoir minerals. Annual report, September 30, 1992--September 30 1995

    Energy Technology Data Exchange (ETDEWEB)

    Casteel, J. [Bartlesville Project Office, OK (United States)

    1996-07-01

    The aim of this research project was to investigate mechanisms governing adsorption and surface precipitation of flooding surfactants on reservoir minerals. Effects of surfactant structure, surfactant combinations, various inorganic and polymeric species, and solids mineralogy have been determined. A multi-pronged approach consisting of micro & nano spectroscopy, electrokinetics, surface tension and wettability is used in this study. The results obtained should help in controlling surfactant loss in chemical flooding and in developing optimum structures and conditions for efficient chemical flooding processes. During the three years contract period, adsorption of single surfactants and select surfactant mixtures was studied at the solid-liquid and gas-liquid interfaces. Alkyl xylene sulfonates, polyethoxylated alkyl phenols, octaethylene glycol mono n-decyl ether, and tetradecyl trimethyl ammonium chloride were the surfactants studied. Adsorption of surfactant mixtures of varying composition was also investigated. The microstructure of the adsorbed layer was characterized using fluorescence spectroscopy. Changes in interfacial properties such as wettability, electrokinetics and stability of reservoir minerals were correlated with the amounts of reagent adsorbed. Strong effects of the structure of the surfactant and position of functional groups were revealed. Changes of microstructure upon dilution (desorption) were also studied. Presence of the nonionic surfactants in mixed aggregate leads to shielding of the charge of ionic surfactants which in turn promotes aggregation but reduced electrostatic attraction between the charged surfactant and the mineral surface. Strong consequences of surfactant interactions in solution on adsorption as well as correlations between monomer concentration in mixtures and adsorption were revealed.

  10. Surfactant loss control in chemical flooding spectroscopic and calorimetric study of adsorption and precipitation on reservoir minerals. Annual report, September 30, 1993--September 30, 1994

    Energy Technology Data Exchange (ETDEWEB)

    Somasundaran, P.

    1995-06-01

    The aim of this project is to elucidate the mechanisms underlying adsorption and surface precipitation of flooding surfactants on reservoir minerals. Effect of surfactant structure, surfactant combinations, other inorganic and polymeric species is being studied. A multi-pronged approach consisting of micro and nano spectroscopy, microcalorimetry, electrokinetics, surface tension and wettability is used to achieve the goals. The results of this study should help in controlling surfactant loss in chemical flooding and also in developing optimum structures and conditions for efficient chemical flooding processes. During the second year of this three year contract, adsorption/desorption of single surfactants and select surfactant mixtures on alumina and silica was studied. Surfactants studied include the anionic sodium dodecyl sulfate (SDS), cationic tetradecyl trimethyl ammonium chloride (TTAC), nonionic pentadecylethoxylated nonyl phenol (NP-15) and the nonionic octaethylene glycol n-dodecyl ether (C{sub 12}EO{sub 8}) of varying hydrocarbon chain length. The microstructure of the adsorbed layer in terms of micropolarity and aggregation numbers was probed using fluorescence spectroscopy. Changes of microstructure upon dilution (desorption) were also studied. Presence of the nonionic surfactant in the mixed aggregate led to shielding of the charge of the ionic surfactant which in-turn promoted aggregation but reduced electrostatic attraction between the charged surfactant and the mineral surface. Strong consequences of surfactant interactions in solution upon adsorption as well as correlations between monomer concentrations in mixtures and adsorption were revealed.

  11. Tsengwen Reservoir Watershed Hydrological Flood Simulation Under Global Climate Change Using the 20 km Mesh Meteorological Research Institute Atmospheric General Circulation Model (MRI-AGCM

    Directory of Open Access Journals (Sweden)

    Nobuaki Kimura

    2014-01-01

    Full Text Available Severe rainstorms have occurred more frequently in Taiwan over the last decade. To understand the flood characteristics of a local region under climate change, a hydrological model simulation was conducted for the Tsengwen Reservoir watershed. The model employed was the Integrated Flood Analysis System (IFAS, which has a conceptual, distributed rainfall-runoff analysis module and a GIS data-input function. The high-resolution rainfall data for flood simulation was categorized into three terms: 1979 - 2003 (Present, 2015 - 2039 (Near-future, and 2075 - 2099 (Future, provided by the Meteorological Research Institute atmospheric general circulation model (MRI-AGCM. Ten extreme rainfall (top ten events were selected for each term in descending order of total precipitation volume. Due to the small watershed area the MRI-AGCM3.2S data was downsized into higher resolution data using the Weather Research and Forecasting Model. The simulated discharges revealed that most of the Near-future and Future peaks caused by extreme rainfall increased compared to the Present peak. These ratios were 0.8 - 1.6 (Near-future/Present and 0.9 - 2.2 (Future/Present, respectively. Additionally, we evaluated how these future discharges would affect the reservoir¡¦s flood control capacity, specifically the excess water volume required to be stored while maintaining dam releases up to the dam¡¦s spillway capacity or the discharge peak design for flood prevention. The results for the top ten events show that the excess water for the Future term exceeded the reservoir¡¦s flood control capacity and was approximately 79.6 - 87.5% of the total reservoir maximum capacity for the discharge peak design scenario.

  12. Simulating flood risk under non-stationary climate and urban development conditions - Experimental setup for multiple hazards and a variety of scenarios

    DEFF Research Database (Denmark)

    Löwe, Roland; Urich, Christian; Kulahci, Murat

    2018-01-01

    vulnerability resulting from urban growth. The framework is embedded in an experimental setup where flood damage obtained from combined hydraulic-urban development simulations is approximated using kriging-metamodels. Space-filling, sequential and stratified sequential sampling strategies are tested. Reliable...... options implemented over short time horizons. However, the number of simulations is reduced by up to one order of magnitude compared to scenario-based methods, highlighting the potential of the approach....

  13. Modelling and simulation of floods in alpine catchments equipped with complex hydropower schemes

    OpenAIRE

    Bieri, Martin; Schleiss, Anton; Frankhauser, A.

    2010-01-01

    The simulation of run-off in an alpine catchment area equipped with complex hydropower schemes is presented by the help of an especially developed tool, called Routing System, which can combine hydrological modelling and operation of hydraulic elements. In the hydrological forecasting tool tridimensional rainfall, temperature and evapotranspiration distributions are taken into account for simulating the dominant hydrological processes, as glacier melt, snow pack constitution and melt, soil in...

  14. Investigation of water and CO2 (carbon dioxide) flooding using micro-CT (micro-computed tomography) images of Berea sandstone core using finite element simulations

    International Nuclear Information System (INIS)

    Gunde, Akshay C.; Bera, Bijoyendra; Mitra, Sushanta K.

    2010-01-01

    The present study reports a numerical investigation of water and CO 2 (carbon dioxide) flooding at the pore scale of a porous medium. We use high resolution micro-computed tomography (micro-CT) images of Berea sandstone core to obtain the pore geometry. The numerical solution used for the simulation was carried out by a finite element based software package. Level Set method is used to determine the position of the interface between two immiscible fluids when oil is displaced by water and CO 2 , respectively. The present formulation is validated against single-phase flow through the porous structure. It is found that, fluid flow inside the pore space takes place through preferential inlet and outlet pores. For two-phase flow, it is observed that continuous displacement of oil occurs during water flooding but CO 2 is able to displace oil at certain locations in the pores. Also, the separation of flow front is observed in the case of CO 2 flooding. A quantitative comparison of the results obtained in two types of flooding simulations suggests that water displaces a higher volume of oil than CO 2 in the time period for which the simulations are performed.

  15. Numerical Simulations of Precipitation Processes, Microphysics, and Microwave Radiative Properties of flood Producing Storms in Mediterranean & Adriatic Basins

    Science.gov (United States)

    Smith, Eric A.; Einaudi, Franco (Technical Monitor)

    2001-01-01

    A comprehensive understanding of the meteorological and microphysical nature of Mediterranean storms requires a combination of in situ data analysis, radar data analysis, and satellite data analysis, effectively integrated with numerical modeling studies at various scales. An important aspect of understanding microphysical controls of severe storms, is first understanding the meteorological controls under which a storm has evolved, and then using that information to help characterize the dominant microphysical processes. For hazardous Mediterranean storms, highlighted by the October 5-6, 1998 Friuli flood event in northern Italy, a comprehensive microphysical interpretation requires an understanding of the multiple phases of storm evolution. This involves intense convective development, Sratiform decay, orographic lifting, and sloped frontal lifting processes, as well as the associated vertical motions and thermodynamical instabilities governing physical processes that effect details of the size distributions and fall rates of the various types of hydrometeors found within the storm environment. This talk overviews the microphysical elements of a severe Mediterranean storm in such a context, investigated with the aid of TRMM satellite and other remote sensing measurements, but guided by a nonhydrostatic mesoscale model simulation of the Friuli flood event. The data analysis for this paper was conducted by my research groups at the Global Hydrology and Climate Center in Huntsville, AL and Florida State University in Tallahassee, and in collaboration with Dr. Alberto Mugnai's research group at the Institute of Atmospheric Physics in Rome. The numerical modeling was conducted by Professor Oreg Tripoli and Ms. Giulia Panegrossi at the University of Wisconsin in Madison, using Professor Tripoli's nonhydrostatic modeling system (NMS). This is a scalable, fully nested mesoscale model capable of resolving nonhydrostatic circulations from regional scale down to cloud scale

  16. A constrained approach to multiscale stochastic simulation of chemically reacting systems

    KAUST Repository

    Cotter, Simon L.; Zygalakis, Konstantinos C.; Kevrekidis, Ioannis G.; Erban, Radek

    2011-01-01

    Stochastic simulation of coupled chemical reactions is often computationally intensive, especially if a chemical system contains reactions occurring on different time scales. In this paper, we introduce a multiscale methodology suitable to address

  17. An efficient and stable hydrodynamic model with novel source term discretization schemes for overland flow and flood simulations

    Science.gov (United States)

    Xia, Xilin; Liang, Qiuhua; Ming, Xiaodong; Hou, Jingming

    2017-05-01

    Numerical models solving the full 2-D shallow water equations (SWEs) have been increasingly used to simulate overland flows and better understand the transient flow dynamics of flash floods in a catchment. However, there still exist key challenges that have not yet been resolved for the development of fully dynamic overland flow models, related to (1) the difficulty of maintaining numerical stability and accuracy in the limit of disappearing water depth and (2) inaccurate estimation of velocities and discharges on slopes as a result of strong nonlinearity of friction terms. This paper aims to tackle these key research challenges and present a new numerical scheme for accurately and efficiently modeling large-scale transient overland flows over complex terrains. The proposed scheme features a novel surface reconstruction method (SRM) to correctly compute slope source terms and maintain numerical stability at small water depth, and a new implicit discretization method to handle the highly nonlinear friction terms. The resulting shallow water overland flow model is first validated against analytical and experimental test cases and then applied to simulate a hypothetic rainfall event in the 42 km2 Haltwhistle Burn, UK.

  18. A comparison of regional flood frequency analysis approaches in a simulation framework

    Science.gov (United States)

    Ganora, D.; Laio, F.

    2016-07-01

    Regional frequency analysis (RFA) is a well-established methodology to provide an estimate of the flood frequency curve at ungauged (or scarcely gauged) sites. Different RFA approaches exist, depending on the way the information is transferred to the site of interest, but it is not clear in the literature if a specific method systematically outperforms the others. The aim of this study is to provide a framework wherein carrying out the intercomparison by building up a virtual environment based on synthetically generated data. The considered regional approaches include: (i) a unique regional curve for the whole region; (ii) a multiple-region model where homogeneous subregions are determined through cluster analysis; (iii) a Region-of-Influence model which defines a homogeneous subregion for each site; (iv) a spatially smooth estimation procedure where the parameters of the regional model vary continuously along the space. Virtual environments are generated considering different patterns of heterogeneity, including step change and smooth variations. If the region is heterogeneous, with the parent distribution changing continuously within the region, the spatially smooth regional approach outperforms the others, with overall errors 10-50% lower than the other methods. In the case of a step-change, the spatially smooth and clustering procedures perform similarly if the heterogeneity is moderate, while clustering procedures work better when the step-change is severe. To extend our findings, an extensive sensitivity analysis has been performed to investigate the effect of sample length, number of virtual stations, return period of the predicted quantile, variability of the scale parameter of the parent distribution, number of predictor variables and different parent distribution. Overall, the spatially smooth approach appears as the most robust approach as its performances are more stable across different patterns of heterogeneity, especially when short records are

  19. Simulation and Hydrologic Modeling of Urban Watershed for Flooding Forecast: The case of the Rio das Antas in the city of Anápolis-GO

    Directory of Open Access Journals (Sweden)

    Eduardo Dourado Argolo

    2016-12-01

    Full Text Available The study area is located along the Rio das Antas basin in the city of Anápolis, Goiás. This study exemplifies an urban area exposed to flooding by rainwater. Decline in the permeability of the river basin area is result of significant real state development in recent years. This study proposes to simulate water flows and respective flooding areas along different sections of the River in response to different rainfall intensities. The simulated flow rates are the result of interpretation of land use scenarios and hydrologic modeling of the river basin area. The rational method and the Bernoulli equation were used in the hydraulic simulation model of the computer program HEC-RAS (Hydrologic Engineering Center's River Analysis System...

  20. Rheological properties of kaolin and chemically simulated waste

    International Nuclear Information System (INIS)

    Selby, C.L.

    1981-12-01

    The Savannah River Laboratory is conducting tests to determine the best operating conditions of pumps used to transfer insoluble radioactive sludges from old to new waste tanks. Because it is not feasible to conduct these tests with real or chemically simulated sludges, kaolin clay is being used as a stand-in for the solid waste. The rheology tests described herein were conducted to determine whether the properties of kaolin were sufficiently similar to those of real sludge to permit meaningful pump tests. The rheology study showed that kaolin can be substituted for real waste to accurately determine pump performance. Once adequately sheared, kaolin properties were found to remain constant. Test results determined that kaolin should not be allowed to settle more than two weeks between pump tests. Water or supernate from the waste tanks can be used to dilute sludge on an equal volume basis because they identically affect the rheological properties of sludge. It was further found that the fluid properties of kaolin and waste are insensitive to temperature

  1. A critical assessment of flux and source term closures in shallow water models with porosity for urban flood simulations

    Science.gov (United States)

    Guinot, Vincent

    2017-11-01

    The validity of flux and source term formulae used in shallow water models with porosity for urban flood simulations is assessed by solving the two-dimensional shallow water equations over computational domains representing periodic building layouts. The models under assessment are the Single Porosity (SP), the Integral Porosity (IP) and the Dual Integral Porosity (DIP) models. 9 different geometries are considered. 18 two-dimensional initial value problems and 6 two-dimensional boundary value problems are defined. This results in a set of 96 fine grid simulations. Analysing the simulation results leads to the following conclusions: (i) the DIP flux and source term models outperform those of the SP and IP models when the Riemann problem is aligned with the main street directions, (ii) all models give erroneous flux closures when is the Riemann problem is not aligned with one of the main street directions or when the main street directions are not orthogonal, (iii) the solution of the Riemann problem is self-similar in space-time when the street directions are orthogonal and the Riemann problem is aligned with one of them, (iv) a momentum balance confirms the existence of the transient momentum dissipation model presented in the DIP model, (v) none of the source term models presented so far in the literature allows all flow configurations to be accounted for(vi) future laboratory experiments aiming at the validation of flux and source term closures should focus on the high-resolution, two-dimensional monitoring of both water depth and flow velocity fields.

  2. Investigation of the SCS-CN initial abstraction ratio using a Monte Carlo simulation for the derived flood frequency curves

    Science.gov (United States)

    Caporali, E.; Chiarello, V.; Galeati, G.

    2014-12-01

    Peak discharges estimates for a given return period are of primary importance in engineering practice for risk assessment and hydraulic structure design. Different statistical methods are chosen here for the assessment of flood frequency curve: one indirect technique based on the extreme rainfall event analysis, the Peak Over Threshold (POT) model and the Annual Maxima approach as direct techniques using river discharge data. In the framework of the indirect method, a Monte Carlo simulation approach is adopted to determine a derived frequency distribution of peak runoff using a probabilistic formulation of the SCS-CN method as stochastic rainfall-runoff model. A Monte Carlo simulation is used to generate a sample of different runoff events from different stochastic combination of rainfall depth, storm duration, and initial loss inputs. The distribution of the rainfall storm events is assumed to follow the GP law whose parameters are estimated through GEV's parameters of annual maximum data. The evaluation of the initial abstraction ratio is investigated since it is one of the most questionable assumption in the SCS-CN model and plays a key role in river basin characterized by high-permeability soils, mainly governed by infiltration excess mechanism. In order to take into account the uncertainty of the model parameters, this modified approach, that is able to revise and re-evaluate the original value of the initial abstraction ratio, is implemented. In the POT model the choice of the threshold has been an essential issue, mainly based on a compromise between bias and variance. The Generalized Extreme Value (GEV) distribution fitted to the annual maxima discharges is therefore compared with the Pareto distributed peaks to check the suitability of the frequency of occurrence representation. The methodology is applied to a large dam in the Serchio river basin, located in the Tuscany Region. The application has shown as Monte Carlo simulation technique can be a useful

  3. Simulating water and nitrogen loss from an irrigated paddy field under continuously flooded condition with Hydrus-1D model.

    Science.gov (United States)

    Yang, Rui; Tong, Juxiu; Hu, Bill X; Li, Jiayun; Wei, Wenshuo

    2017-06-01

    Agricultural non-point source pollution is a major factor in surface water and groundwater pollution, especially for nitrogen (N) pollution. In this paper, an experiment was conducted in a direct-seeded paddy field under traditional continuously flooded irrigation (CFI). The water movement and N transport and transformation were simulated via the Hydrus-1D model, and the model was calibrated using field measurements. The model had a total water balance error of 0.236 cm and a relative error (error/input total water) of 0.23%. For the solute transport model, the N balance error and relative error (error/input total N) were 0.36 kg ha -1 and 0.40%, respectively. The study results indicate that the plow pan plays a crucial role in vertical water movement in paddy fields. Water flow was mainly lost through surface runoff and underground drainage, with proportions to total input water of 32.33 and 42.58%, respectively. The water productivity in the study was 0.36 kg m -3 . The simulated N concentration results revealed that ammonia was the main form in rice uptake (95% of total N uptake), and its concentration was much larger than for nitrate under CFI. Denitrification and volatilization were the main losses, with proportions to total consumption of 23.18 and 14.49%, respectively. Leaching (10.28%) and surface runoff loss (2.05%) were the main losses of N pushed out of the system by water. Hydrus-1D simulation was an effective method to predict water flow and N concentrations in the three different forms. The study provides results that could be used to guide water and fertilization management and field results for numerical studies of water flow and N transport and transformation in the future.

  4. Why are decisions in flood disaster management so poorly supported by information from flood models?

    NARCIS (Netherlands)

    Leskens, Anne; Brugnach, Marcela Fabiana; Hoekstra, Arjen Ysbert; Schuurmans, W.

    2014-01-01

    Flood simulation models can provide practitioners of Flood Disaster Management with sophisticated estimates of floods. Despite the advantages that flood simulation modeling may provide, experiences have proven that these models are of limited use. Until now, this problem has mainly been investigated

  5. Study to determine the technical and economic feasibility of reclaiming chemicals used in micellar polymer and low tension surfactant flooding. Final report. [Ultrafiltration membranes and reverse osmosis membranes

    Energy Technology Data Exchange (ETDEWEB)

    Stephens, R.H.; Himmelblau, A.; Donnelly, R.G.

    1978-02-01

    Energy Resources Company has developed a technology for use with enhanced oil recovery to achieve emulsion breaking and surfactant recovery. By using ultrafiltration membranes, the Energy Resources Company process can dewater an oil-in-water type emulsion expected from enhanced oil recovery projects to the point where the emulsion can be inverted and treated using conventional emulsion-treating equipment. By using a tight ultrafiltration membrane or a reverse osmosis membrane, the Energy Resources Company process is capable of recovering chemicals such as surfactants used in micellar polymer flooding.

  6. Investigation of Chemical-Foam Design as a Novel Approach toward Immiscible Foam Flooding for Enhanced Oil Recovery

    NARCIS (Netherlands)

    Hosseini Nasab, S.M.; Zitha, P.L.J.

    2017-01-01

    Strong foam can be generated in porous media containing oil, resulting in incremental oil recovery; however, oil recovery factor is restricted. A large fraction of oil recovered by foam flooding forms an oil-in-water emulsion, so that costly methods may need to be used to separate the oil.

  7. Simulation of the catastrophic floods caused by extreme rainfall events - Uh River basin case study

    OpenAIRE

    Pekárová, Pavla; Halmová, Dana; Mitková, Veronika

    2005-01-01

    The extreme rainfall events in Central and East Europe on August 2002 rise the question, how other basins would respond on such rainfall situations. Such theorisation helps us to arrange in advance the necessary activity in the basin to reduce the consequence of the assumed disaster. The aim of the study is to recognise a reaction of the Uh River basin (Slovakia, Ukraine) to the simulated catastrophic rainfall events from August 2002. Two precipitation scenarios, sc1 and sc2, were created. Th...

  8. Merging Top-View Lidar Data With Street-View SFM Data To Enhance Urban Flood Simulation

    NARCIS (Netherlands)

    Meesuk, V.; Vojinovic, Zoran; Mynett, A.E.; Piasecki, M

    2014-01-01

    Top-view data obtainedfrom LiDAR systemshas long been used as topographic-input data for urban flood modelling applications. This high-resolution input data has considerable potential to improve urban flood modelling predictions with more detail. However, the difficulty of employing top-view data is

  9. One-dimensional GIS-based model compared with a two-dimensional model in urban floods simulation.

    Science.gov (United States)

    Lhomme, J; Bouvier, C; Mignot, E; Paquier, A

    2006-01-01

    A GIS-based one-dimensional flood simulation model is presented and applied to the centre of the city of Nîmes (Gard, France), for mapping flow depths or velocities in the streets network. The geometry of the one-dimensional elements is derived from the Digital Elevation Model (DEM). The flow is routed from one element to the next using the kinematic wave approximation. At the crossroads, the flows in the downstream branches are computed using a conceptual scheme. This scheme was previously designed to fit Y-shaped pipes junctions, and has been modified here to fit X-shaped crossroads. The results were compared with the results of a two-dimensional hydrodynamic model based on the full shallow water equations. The comparison shows that good agreements can be found in the steepest streets of the study zone, but differences may be important in the other streets. Some reasons that can explain the differences between the two models are given and some research possibilities are proposed.

  10. Mapping flood hazards under uncertainty through probabilistic flood inundation maps

    Science.gov (United States)

    Stephens, T.; Bledsoe, B. P.; Miller, A. J.; Lee, G.

    2017-12-01

    Changing precipitation, rapid urbanization, and population growth interact to create unprecedented challenges for flood mitigation and management. Standard methods for estimating risk from flood inundation maps generally involve simulations of floodplain hydraulics for an established regulatory discharge of specified frequency. Hydraulic model results are then geospatially mapped and depicted as a discrete boundary of flood extents and a binary representation of the probability of inundation (in or out) that is assumed constant over a project's lifetime. Consequently, existing methods utilized to define flood hazards and assess risk management are hindered by deterministic approaches that assume stationarity in a nonstationary world, failing to account for spatio-temporal variability of climate and land use as they translate to hydraulic models. This presentation outlines novel techniques for portraying flood hazards and the results of multiple flood inundation maps spanning hydroclimatic regions. Flood inundation maps generated through modeling of floodplain hydraulics are probabilistic reflecting uncertainty quantified through Monte-Carlo analyses of model inputs and parameters under current and future scenarios. The likelihood of inundation and range of variability in flood extents resulting from Monte-Carlo simulations are then compared with deterministic evaluations of flood hazards from current regulatory flood hazard maps. By facilitating alternative approaches of portraying flood hazards, the novel techniques described in this presentation can contribute to a shifting paradigm in flood management that acknowledges the inherent uncertainty in model estimates and the nonstationary behavior of land use and climate.

  11. Application of Flood Nomograph for Flood Forecasting in Urban Areas

    Directory of Open Access Journals (Sweden)

    Eui Hoon Lee

    2018-01-01

    Full Text Available Imperviousness has increased due to urbanization, as has the frequency of extreme rainfall events by climate change. Various countermeasures, such as structural and nonstructural measures, are required to prepare for these effects. Flood forecasting is a representative nonstructural measure. Flood forecasting techniques have been developed for the prevention of repetitive flood damage in urban areas. It is difficult to apply some flood forecasting techniques using training processes because training needs to be applied at every usage. The other flood forecasting techniques that use rainfall data predicted by radar are not appropriate for small areas, such as single drainage basins. In this study, a new flood forecasting technique is suggested to reduce flood damage in urban areas. The flood nomograph consists of the first flooding nodes in rainfall runoff simulations with synthetic rainfall data at each duration. When selecting the first flooding node, the initial amount of synthetic rainfall is 1 mm, which increases in 1 mm increments until flooding occurs. The advantage of this flood forecasting technique is its simple application using real-time rainfall data. This technique can be used to prepare a preemptive response in the process of urban flood management.

  12. Simulated and observed 2010 flood-water elevations in selected river reaches in the Moshassuck and Woonasquatucket River Basins, Rhode Island

    Science.gov (United States)

    Zarriello, Phillip J.; Straub, David E.; Westenbroek, Stephen M.

    2014-01-01

    Heavy persistent rains from late February through March 2010 caused severe flooding and set, or nearly set, peaks of record for streamflows and water levels at many long-term U.S. Geological Survey streamgages in Rhode Island. In response to this flood, hydraulic models were updated for selected reaches covering about 33 river miles in Moshassuck and Woonasquatucket River Basins from the most recent approved Federal Emergency Management Agency flood insurance study (FIS) to simulate water-surface elevations (WSEs) from specified flows and boundary conditions. Reaches modeled include the main stem of the Moshassuck River and its main tributary, the West River, and three tributaries to the West River—Upper Canada Brook, Lincoln Downs Brook, and East Branch West River; and the main stem of the Woonasquatucket River. All the hydraulic models were updated to Hydrologic Engineering Center-River Analysis System (HEC-RAS) version 4.1.0 and incorporate new field-survey data at structures, high-resolution land-surface elevation data, and flood flows from a related study. The models were used to simulate steady-state WSEs at the 1- and 2-percent annual exceedance probability (AEP) flows, which is the estimated AEP of the 2010 flood in the Moshassuck River Basin and the Woonasquatucket River, respectively. The simulated WSEs were compared to the high-water mark (HWM) elevation data obtained in these basins in a related study following the March–April 2010 flood, which included 18 HWMs along the Moshassuck River and 45 HWMs along the Woonasquatucket River. Differences between the 2010 HWMs and the simulated 2- and 1-percent AEP WSEs from the FISs and the updated models developed in this study varied along the reach. Most differences could be attributed to the magnitude of the 2- and 1-percent AEP flows used in the FIS and updated model flows. Overall, the updated model and the FIS WSEs were not appreciably different when compared to the observed 2010 HWMs along the

  13. On the Simulation of Floods in a Narrow Bending Valley: The Malpasset Dam Break Case Study

    Directory of Open Access Journals (Sweden)

    Chiara Biscarini

    2016-11-01

    Full Text Available In this paper, we investigate the performance of three-dimensional (3D hydraulic modeling when dealing with river sinuosity and meander bends. In river bends, the flow is dominated by a secondary current, which has a key role on the flow redistribution. The secondary flow induces transverse components of the bed shear stress and increases the velocity in outward direction, thus generating local erosion and riverbed modifications. When in river bends, the 3D processes prevail, and a 3D computational fluid dynamics (CFD model is required to correctly predict the flow structure. An accurate description of the different hydrodynamic processes in mildly and sharply curved bends find a relevant application in meanders migration modeling. The mechanisms that drive the velocity redistribution in meandering channels depend on the river’s roughness, the flow depth (H, the radius curvature (R, the width (B and the bathymetric variations. Here, the hydro-geomorphic characterization of sharp and mild meanders is performed by means of the ratios R/B, B/H, and R/H, and of the sinuosity index. As a case study, we selected the Malpasset dam break on the Reyran River Valley (FR, as it is perfectly suited for investigating performances and issues of a 3D model in simulating the inundation dynamics in a river channel with a varying curvature radius.

  14. Chemical warfare agent simulants for human volunteer trials of emergency decontamination: A systematic review.

    Science.gov (United States)

    James, Thomas; Wyke, Stacey; Marczylo, Tim; Collins, Samuel; Gaulton, Tom; Foxall, Kerry; Amlôt, Richard; Duarte-Davidson, Raquel

    2018-01-01

    Incidents involving the release of chemical agents can pose significant risks to public health. In such an event, emergency decontamination of affected casualties may need to be undertaken to reduce injury and possible loss of life. To ensure these methods are effective, human volunteer trials (HVTs) of decontamination protocols, using simulant contaminants, have been conducted. Simulants must be used to mimic the physicochemical properties of more harmful chemicals, while remaining non-toxic at the dose applied. This review focuses on studies that employed chemical warfare agent simulants in decontamination contexts, to identify those simulants most suitable for use in HVTs of emergency decontamination. Twenty-two simulants were identified, of which 17 were determined unsuitable for use in HVTs. The remaining simulants (n = 5) were further scrutinized for potential suitability according to toxicity, physicochemical properties and similarities to their equivalent toxic counterparts. Three suitable simulants, for use in HVTs were identified; methyl salicylate (simulant for sulphur mustard), diethyl malonate (simulant for soman) and malathion (simulant for VX or toxic industrial chemicals). All have been safely used in previous HVTs, and have a range of physicochemical properties that would allow useful inference to more toxic chemicals when employed in future studies of emergency decontamination systems. © 2017 Crown Copyright. Journal of Applied Toxicology published by John Wiley & Sons, Ltd.

  15. Using Simulation to Increase Yields in Chemical Engineering

    Directory of Open Access Journals (Sweden)

    William C. Conley

    2003-06-01

    Full Text Available Trying to increase the yields or profit or efficiency (less pollution of chemical processes is a central goal of the chemical engineer in theory and practice. Certainly sound training in chemistry, business and pollution control help the engineer to set up optimal chemical processes. However, the ever changing demands of customers and business conditions, plus the multivariate complexity of the chemical business can make optimization challenging. Mathematical tools such as statistics and linear programming have certainly been useful to chemical engineers in their pursuit of optimal efficiency. However, some processes can be modeled linearly and some can not. Therefore, presented here will be an industrial chemical process with potentially five variables affecting the yield. Data from over one hundred runs of the process has been collected, but it is not known initially whether the yield relationship is linear or nonlinear. Therefore, the CTSP multivariate correlation coefficient will be calculated for the data to see if a relationship exists among the variables. Then once it is proven that there is a statistically significant relationship, an appropriate linear or nonlinear equation can be fitted to the data, and it can be optimized for use in the chemical plant.

  16. for simulating kinetic profiles of multi-step chemical systems

    African Journals Online (AJOL)

    Preferred Customer

    waves and Belousov-Zhabotinsky type reactions have complex reaction mechanisms ... A pre-processor code for a sequence of chemical reactions is .... mechanism only as the text file using any editor that support text format, (iv) the reactant.

  17. Exploitation of Documented Historical Floods for Achieving Better Flood Defense

    Directory of Open Access Journals (Sweden)

    Slobodan Kolaković

    2016-01-01

    Full Text Available Establishing Base Flood Elevation for a stream network corresponding to a big catchment is feasible by interdisciplinary approach, involving stochastic hydrology, river hydraulics, and computer aided simulations. A numerical model calibrated by historical floods has been exploited in this study. The short presentation of the catchment of the Tisza River in this paper is followed by the overview of historical floods which hit the region in the documented period of 130 years. Several well documented historical floods provided opportunity for the calibration of the chosen numerical model. Once established, the model could be used for investigation of different extreme flood scenarios and to establish the Base Flood Elevation. The calibration has shown that the coefficient of friction in case of the Tisza River is dependent both on the actual water level and on the preceding flood events. The effect of flood plain maintenance as well as the activation of six potential detention ponds on flood mitigation has been examined. Furthermore, the expected maximum water levels have also been determined for the case if the ever observed biggest 1888 flood hit the region again. The investigated cases of flood superposition highlighted the impact of tributary Maros on flood mitigation along the Tisza River.

  18. Climatic and basin factors affecting the flood frequency curve: PART I – A simple sensitivity analysis based on the continuous simulation approach

    Directory of Open Access Journals (Sweden)

    A. M. Hashemi

    2000-01-01

    Full Text Available Regionalized and at-site flood frequency curves exhibit considerable variability in their shapes, but the factors controlling the variability (other than sampling effects are not well understood. An application of the Monte Carlo simulation-based derived distribution approach is presented in this two-part paper to explore the influence of climate, described by simulated rainfall and evapotranspiration time series, and basin factors on the flood frequency curve (ffc. The sensitivity analysis conducted in the paper should not be interpreted as reflecting possible climate changes, but the results can provide an indication of the changes to which the flood frequency curve might be sensitive. A single site Neyman Scott point process model of rainfall, with convective and stratiform cells (Cowpertwait, 1994; 1995, has been employed to generate synthetic rainfall inputs to a rainfall runoff model. The time series of the potential evapotranspiration (ETp demand has been represented through an AR(n model with seasonal component, while a simplified version of the ARNO rainfall-runoff model (Todini, 1996 has been employed to simulate the continuous discharge time series. All these models have been parameterised in a realistic manner using observed data and results from previous applications, to obtain ‘reference’ parameter sets for a synthetic case study. Subsequently, perturbations to the model parameters have been made one-at-a-time and the sensitivities of the generated annual maximum rainfall and flood frequency curves (unstandardised, and standardised by the mean have been assessed. Overall, the sensitivity analysis described in this paper suggests that the soil moisture regime, and, in particular, the probability distribution of soil moisture content at the storm arrival time, can be considered as a unifying link between the perturbations to the several parameters and their effects on the standardised and unstandardised ffcs, thus revealing the

  19. Effects of increased flooding on riparian vegetation: Field experiments simulating climate change along five European lowland streams.

    Science.gov (United States)

    Garssen, Annemarie G; Baattrup-Pedersen, Annette; Riis, Tenna; Raven, Bart M; Hoffman, Carl Christian; Verhoeven, Jos T A; Soons, Merel B

    2017-08-01

    In many parts of the world, the magnitude and frequency of cold-season precipitation are expected to increase in the near future. This will result in an increased magnitude and duration of winter and spring flooding by rain-fed streams and rivers. Such climate-driven increases in flooding are likely to affect riparian plant communities, but future vegetation changes are hard to predict due to current lack of data. To fill this knowledge gap, we experimentally modified the hydrology of five streams across three countries in north-western Europe during late winter/early spring over a period of 3 years. We assessed the responses in riparian plant species richness, biomass, plant-available nitrogen and phosphorus and seed deposition to increased flooding depth (+18 cm on average at the lowest positions along the riparian gradient) and prolonged flooding duration (6 weeks on average). After 3 years of increased flooding, there was an overall decline in riparian species richness, while riparian plant biomass increased. Extractable soil nitrogen and phosphorus also increased and are likely to have contributed to the increased biomass. Increased flooding resulted in the arrival of more seeds of additional species to the riparian zone, thereby potentially facilitating the shifts in riparian plant species composition we observed. The results of our concerted experimental effort demonstrate that changes in stream riparian plant communities can occur rapidly following increased winter flooding, leading to strong reductions in plant species diversity. © 2017 The Authors. Global Change Biology published by John Wiley & Sons Ltd.

  20. Fast stochastic simulation of biochemical reaction systems by alternative formulations of the chemical Langevin equation

    KAUST Repository

    Mélykúti, Bence; Burrage, Kevin; Zygalakis, Konstantinos C.

    2010-01-01

    The Chemical Langevin Equation (CLE), which is a stochastic differential equation driven by a multidimensional Wiener process, acts as a bridge between the discrete stochastic simulation algorithm and the deterministic reaction rate equation when

  1. Model abstraction addressing long-term simulations of chemical degradation of large-scale concrete structures

    International Nuclear Information System (INIS)

    Jacques, D.; Perko, J.; Seetharam, S.; Mallants, D.

    2012-01-01

    This paper presents a methodology to assess the spatial-temporal evolution of chemical degradation fronts in real-size concrete structures typical of a near-surface radioactive waste disposal facility. The methodology consists of the abstraction of a so-called full (complicated) model accounting for the multicomponent - multi-scale nature of concrete to an abstracted (simplified) model which simulates chemical concrete degradation based on a single component in the aqueous and solid phase. The abstracted model is verified against chemical degradation fronts simulated with the full model under both diffusive and advective transport conditions. Implementation in the multi-physics simulation tool COMSOL allows simulation of the spatial-temporal evolution of chemical degradation fronts in large-scale concrete structures. (authors)

  2. A Grid-Based Cyber Infrastructure for High Performance Chemical Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    Khadka Prashant

    2008-10-01

    Full Text Available Chemical dynamics simulation is an effective means to study atomic level motions of molecules, collections of molecules, liquids, surfaces, interfaces of materials, and chemical reactions. To make chemical dynamics simulations globally accessible to a broad range of users, recently a cyber infrastructure was developed that provides an online portal to VENUS, a popular chemical dynamics simulation program package, to allow people to submit simulation jobs that will be executed on the web server machine. In this paper, we report new developments of the cyber infrastructure for the improvement of its quality of service by dispatching the submitted simulations jobs from the web server machine onto a cluster of workstations for execution, and by adding an animation tool, which is optimized for animating the simulation results. The separation of the server machine from the simulation-running machine improves the service quality by increasing the capacity to serve more requests simultaneously with even reduced web response time, and allows the execution of large scale, time-consuming simulation jobs on the powerful workstation cluster. With the addition of an animation tool, the cyber infrastructure automatically converts, upon the selection of the user, some simulation results into an animation file that can be viewed on usual web browsers without requiring installation of any special software on the user computer. Since animation is essential for understanding the results of chemical dynamics simulations, this animation capacity provides a better way for understanding simulation details of the chemical dynamics. By combining computing resources at locations under different administrative controls, this cyber infrastructure constitutes a grid environment providing physically and administratively distributed functionalities through a single easy-to-use online portal

  3. Simulation; an everyday tool for research in chemical kinetics

    International Nuclear Information System (INIS)

    Nakhle, M.; Roux, P.; Thomas de Montpreville, C.

    1985-08-01

    In order to make apparent the facilities offered by the NEPTUNIX package in solving some complex problems in chemical kinetics, the paper deals with its application to a particular example taken from material science: assistance to the validation of mechanisms governing colloids growth in a fluorite crystal when it is irradiated by an electron beam

  4. Simulation of convection-driven wet-chemical etching

    NARCIS (Netherlands)

    Driesen, C.H.

    1999-01-01

    In a wet-chemical etching process, the resulting etched shape is smaller than the originally designed shape at the mask. This is caused by the fact that, as soon as material next to the mask is dissolved, material under the mask will be dissolved too. This is the so-called undercut effect. During an

  5. Simulation of convection-driven wet-chemical etching

    NARCIS (Netherlands)

    Driesen, C.H.

    1999-01-01

    a wet-chemical etching process, the resulting etched shape is smaller than the originally designed shape at the mask. This is caused by the fact that, as soon as material next to the mask is dissolved, material under the mask will be dissolved too. This is the so-called undercut effect. During an

  6. Chemical warfare agent simulants for human volunteer trials of emergency decontamination: A systematic review

    OpenAIRE

    James, Thomas; Wyke, Stacey; Marczylo, Tim; Collins, Samuel; Gaulton, Tom; Foxall, Kerry; Amlôt, Richard; Duarte‐Davidson, Raquel

    2017-01-01

    Abstract Incidents involving the release of chemical agents can pose significant risks to public health. In such an event, emergency decontamination of affected casualties may need to be undertaken to reduce injury and possible loss of life. To ensure these methods are effective, human volunteer trials (HVTs) of decontamination protocols, using simulant contaminants, have been conducted. Simulants must be used to mimic the physicochemical properties of more harmful chemicals, while remaining ...

  7. Environmental fate and transport of chemical signatures from buried landmines -- Screening model formulation and initial simulations

    Energy Technology Data Exchange (ETDEWEB)

    Phelan, J.M.; Webb, S.W.

    1997-06-01

    The fate and transport of chemical signature molecules that emanate from buried landmines is strongly influenced by physical chemical properties and by environmental conditions of the specific chemical compounds. Published data have been evaluated as the input parameters that are used in the simulation of the fate and transport processes. A one-dimensional model developed for screening agricultural pesticides was modified and used to simulate the appearance of a surface flux above a buried landmine, estimate the subsurface total concentration, and show the phase specific concentrations at the ground surface. The physical chemical properties of TNT cause a majority of the mass released to the soil system to be bound to the solid phase soil particles. The majority of the transport occurs in the liquid phase with diffusion and evaporation driven advection of soil water as the primary mechanisms for the flux to the ground surface. The simulations provided herein should only be used for initial conceptual designs of chemical pre-concentration subsystems or complete detection systems. The physical processes modeled required necessary simplifying assumptions to allow for analytical solutions. Emerging numerical simulation tools will soon be available that should provide more realistic estimates that can be used to predict the success of landmine chemical detection surveys based on knowledge of the chemical and soil properties, and environmental conditions where the mines are buried. Additional measurements of the chemical properties in soils are also needed before a fully predictive approach can be confidently applied.

  8. Chemical composition analysis of simulated waste glass T10-G-16A

    Energy Technology Data Exchange (ETDEWEB)

    Fox, K. M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-08-01

    In this report, SRNL provides chemical composition analyses of a simulated LAW glass designated T10-G-16A.The measured chemical composition data are reported and compared with the targeted values for each component. No issues were identified in reviewing the analytical data.

  9. Modeling the transport of chemical warfare agents and simulants in polymeric substrates for reactive decontamination

    Science.gov (United States)

    Pearl, Thomas; Mantooth, Brent; Varady, Mark; Willis, Matthew

    2014-03-01

    Chemical warfare agent simulants are often used for environmental testing in place of highly toxic agents. This work sets the foundation for modeling decontamination of absorbing polymeric materials with the focus on determining relationships between agents and simulants. The correlations of agents to simulants must consider the three way interactions in the chemical-material-decontaminant system where transport and reaction occur in polymer materials. To this end, diffusion modeling of the subsurface transport of simulants and live chemical warfare agents was conducted for various polymer systems (e.g., paint coatings) with and without reaction pathways with applied decontamination. The models utilized 1D and 2D finite difference diffusion and reaction models to simulate absorption and reaction in the polymers, and subsequent flux of the chemicals out of the polymers. Experimental data including vapor flux measurements and dynamic contact angle measurements were used to determine model input parameters. Through modeling, an understanding of the relationship of simulant to live chemical warfare agent was established, focusing on vapor emission of agents and simulants from materials.

  10. Morphological Analyses and Simulated Flood Elevations in a Watershed with Dredged and Leveed Stream Channels, Wheeling Creek, Eastern Ohio

    Science.gov (United States)

    Sherwood, James M.; Huitger, Carrie A.; Ebner, Andrew D.; Koltun, G.F.

    2008-01-01

    The USGS, in cooperation with the Ohio Emergency Management Agency, conducted a study in the Wheeling Creek Basin to (1) evaluate and contrast land-cover characteristics from 2001 with characteristics from 1979 and 1992; (2) compare current streambed elevation, slope, and geometry with conditions present in the late 1980s; (3) look for evidence of channel filling and over widening in selected undredged reaches; (4) estimate flood elevations for existing conditions in both undredged and previously dredged reaches; (5) evaluate the height of the levees required to contain floods with selected recurrence intervals in previously dredged reaches; and (6) estimate flood elevations for several hypothetical dredging and streambed aggradation scenarios in undredged reaches. The amount of barren land in the Wheeling Creek watershed has decreased from 20 to 1 percent of the basin area based on land-cover characteristics from 1979 and 2001. Barren lands appear to have been converted primarily to pasture, presumably as a result of surface-mine reclamation. Croplands also decreased from 13 to 8 percent of the basin area. The combined decrease in barren lands and croplands is approximately offset by the increase in pasture. Stream-channel surveys conducted in 1987 and again in 2006 at 21 sites in four previously dredged reaches of Wheeling Creek indicate little change in the elevation, slope, and geometry of the channel at most sites. The mean change in width-averaged bed and thalweg elevations for the 21 cross sections was 0.1 feet. Bankfull widths, mean depths, and cross-sectional areas measured at 12 sites in undredged reaches were compared to estimates determined from regional equations. The mean percentage difference between measured and estimated bankfull widths was -0.2 percent, suggesting that bankfull widths in the Wheeling Creek Basin are generally about the same as regional averages for undisturbed basins of identical drainage area. For bankfull mean depth and cross

  11. Influence of partial blockage of a BWR bundle on heat transfer, cladding temperature, and quenching during bottom flooding or top spraying under simulated LOCA conditions

    International Nuclear Information System (INIS)

    Brand, B.; Gaul, H.P.; Sarkar, J.

    1982-01-01

    In a test facility with two parallel boiling water reactor fuel assemblies, experiments were carried out with top spray and bottom flooding, simulating loss-of-coolant accident (LOCA) conditions. The flow area restriction, caused by the ballooning of fuel rod cladding within one of the bundles, was provided by blockage plates, which had reductions of 37% in one case and in a second series 70% of the flow area. Test parameters were system pressure (1, 5, and 10 bars), spray (0.68 and 1.02 m 3 /h) and flooding rates (1.5,2, and 3.3 cm/s), power input (520 and 614 kW), and the initial cladding temperature (600 and 800 0 C at midplane) of the heaters. The test results showed no significant variations from those without blockage, except in the blocked region. An enhancement of heat transfer was observed in a close region downstream from the blockage in cases such as bottom flooding and top spray tests. The results will serve the purpose of code verification for reactor LOCA analysis

  12. Numerical simulation of flood inundation using a well-balanced kinetic scheme for the shallow water equations with bulk recharge and discharge

    Science.gov (United States)

    Ersoy, Mehmet; Lakkis, Omar; Townsend, Philip

    2016-04-01

    The flow of water in rivers and oceans can, under general assumptions, be efficiently modelled using Saint-Venant's shallow water system of equations (SWE). SWE is a hyperbolic system of conservation laws (HSCL) which can be derived from a starting point of incompressible Navier-Stokes. A common difficulty in the numerical simulation of HSCLs is the conservation of physical entropy. Work by Audusse, Bristeau, Perthame (2000) and Perthame, Simeoni (2001), proposed numerical SWE solvers known as kinetic schemes (KSs), which can be shown to have desirable entropy-consistent properties, and are thus called well-balanced schemes. A KS is derived from kinetic equations that can be integrated into the SWE. In flood risk assessment models the SWE must be coupled with other equations describing interacting meteorological and hydrogeological phenomena such as rain and groundwater flows. The SWE must therefore be appropriately modified to accommodate source and sink terms, so kinetic schemes are no longer valid. While modifications of SWE in this direction have been recently proposed, e.g., Delestre (2010), we depart from the extant literature by proposing a novel model that is "entropy-consistent" and naturally extends the SWE by respecting its kinetic formulation connections. This allows us to derive a system of partial differential equations modelling flow of a one-dimensional river with both a precipitation term and a groundwater flow model to account for potential infiltration and recharge. We exhibit numerical simulations of the corresponding kinetic schemes. These simulations can be applied to both real world flood prediction and the tackling of wider issues on how climate and societal change are affecting flood risk.

  13. Thermo-chemical simulation of a composite offshore vertical axis wind turbine blade

    DEFF Research Database (Denmark)

    Baran, Ismet; Tutum, Cem Celal; Hattel, Jesper Henri

    2012-01-01

    In the present study three dimensional steady state thermo-chemical simulation of a pultrusion process is investigated by using the finite element/nodal control volume (FE/NCV) technique. Pultrusion simulation of a composite having a C-shaped cross section is performed as a validation case. The o...

  14. Introduction to Stochastic Simulations for Chemical and Physical Processes: Principles and Applications

    Science.gov (United States)

    Weiss, Charles J.

    2017-01-01

    An introduction to digital stochastic simulations for modeling a variety of physical and chemical processes is presented. Despite the importance of stochastic simulations in chemistry, the prevalence of turn-key software solutions can impose a layer of abstraction between the user and the underlying approach obscuring the methodology being…

  15. Simulation of Flash-Flood-Producing Storm Events in Saudi Arabia Using the Weather Research and Forecasting Model

    KAUST Repository

    Deng, Liping; McCabe, Matthew; Stenchikov, Georgiy L.; Evans, Jason P.; Kucera, Paul A.

    2015-01-01

    The challenges of monitoring and forecasting flash-flood-producing storm events in data-sparse and arid regions are explored using the Weather Research and Forecasting (WRF) Model (version 3.5) in conjunction with a range of available satellite

  16. The Influence of CO2 Solubility in Brine on Simulation of CO2 Injection into Water Flooded Reservoir and CO2 WAG

    DEFF Research Database (Denmark)

    Yan, Wei; Stenby, Erling Halfdan

    2010-01-01

    Injection of CO2 into depleted oil reservoirs is not only a traditional way to enhance oil recovery but also a relatively cheaper way to sequester CO2 underground since the increased oil production can offset some sequestration cost. CO2 injection process is often applied to water flooded...... simulations were made for seven oil samples within a wide range of temperature, pressure and salinity. The results were analyzed in terms of the change in oil recovery due to different phase equilibrium descriptions, the delay in breakthrough and the CO2 lost to the aqueous phase. The influence of different...

  17. Mercury transformation and release differs with depth and time in a contaminated riparian soil during simulated flooding

    Science.gov (United States)

    Poulin, Brett; Aiken, George R.; Nagy, Kathryn L.; Manceau, Alain; Krabbenhoft, David P.; Ryan, Joseph N.

    2016-01-01

    Riparian soils are an important environment in the transport of mercury in rivers and wetlands, but the biogeochemical factors controlling mercury dynamics under transient redox conditions in these soils are not well understood. Mercury release and transformations in the Oa and underlying A horizons of a contaminated riparian soil were characterized in microcosms and an intact soil core under saturation conditions. Pore water dynamics of total mercury (HgT), methylmercury (MeHg), and dissolved gaseous mercury (Hg0(aq)) along with selected anions, major elements, and trace metals were characterized across redox transitions during 36 d of flooding in microcosms. Next, HgT dynamics were characterized over successive flooding (17 d), drying (28 d), and flooding (36 d) periods in the intact core. The observed mercury dynamics exhibit depth and temporal variability. At the onset of flooding in microcosms (1–3 d), mercury in the Oa horizon soil, present as a combination of ionic mercury (Hg(II)) bound to thiol groups in the soil organic matter (SOM) and nanoparticulate metacinnabar (b-HgS), was mobilized with organic matter of high molecular weight. Subsequently, under anoxic conditions, pore water HgT declined coincident with sulfate (3–11 d) and the proportion of nanoparticulate b-HgS in the Oa horizon soil increased slightly. Redox oscillations in the intact Oa horizon soil exhausted the mobile mercury pool associated with organic matter. In contrast, mercury in the A horizon soil, present predominantly as nanoparticulate b-HgS, was mobilized primarily as Hg0(aq) under strongly reducing conditions (5–18 d). The concentration of Hg0(aq) under dark reducing conditions correlated positively with byproducts of dissimilatory metal reduction (P(Fe,Mn)). Mercury dynamics in intact A horizon soil were consistent over two periods of flooding, indicating that nanoparticulate b-HgS was an accessible pool of mobile mercury over recurrent reducing conditions. The

  18. The chemical energy unit partial oxidation reactor operation simulation modeling

    Science.gov (United States)

    Mrakin, A. N.; Selivanov, A. A.; Batrakov, P. A.; Sotnikov, D. G.

    2018-01-01

    The chemical energy unit scheme for synthesis gas, electric and heat energy production which is possible to be used both for the chemical industry on-site facilities and under field conditions is represented in the paper. The partial oxidation reactor gasification process mathematical model is described and reaction products composition and temperature determining algorithm flow diagram is shown. The developed software product verification showed good convergence of the experimental values and calculations according to the other programmes: the temperature determining relative discrepancy amounted from 4 to 5 %, while the absolute composition discrepancy ranged from 1 to 3%. The synthesis gas composition was found out practically not to depend on the supplied into the partial oxidation reactor (POR) water vapour enthalpy and compressor air pressure increase ratio. Moreover, air consumption coefficient α increase from 0.7 to 0.9 was found out to decrease synthesis gas target components (carbon and hydrogen oxides) specific yield by nearly 2 times and synthesis gas target components required ratio was revealed to be seen in the water vapour specific consumption area (from 5 to 6 kg/kg of fuel).

  19. Chemical Method to Improve CO{sub 2} Flooding Sweep Efficiency for Oil Recovery Using SPI-CO{sub 2} Gels

    Energy Technology Data Exchange (ETDEWEB)

    Burns, Lyle D.

    2009-04-14

    hydrocarbon combustion for energy, chemical and fertilizer plants. For example, coal fired power plants emit large amounts of CO{sub 2} in order to produce electrical energy. Carbon dioxide sequestration is gaining attention as concerns mount over possible global climate change caused by rising emissions of greenhouse gases. Removing the CO{sub 2} from the energy generation process would make these plants more environmentally friendly. In addition, CO{sub 2} flooding is an attractive means to enhance oil and natural gas recovery. Capture and use of the CO{sub 2} from these plants for recycling into CO{sub 2} flooding of marginal reservoirs provides a “dual use” opportunity prior to final CO{sub 2} sequestration in the depleted reservoir. Under the right pressure, temperature and oil composition conditions, CO{sub 2} can act as a solvent, cleaning oil trapped in the microscopic pores of the reservoir rock. This miscible process greatly increases the recovery of crude oil from a reservoir compared to recovery normally seen by waterflooding. An Enhanced Oil Recovery (EOR) project that uses an industrial source of CO{sub 2} that otherwise would be vented to the atmosphere has the added environmental benefit of sequestering the greenhouse gas.

  20. Challenges in simulation of chemical processes in combustion furnaces

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M.; Kilpinen, P. [Aabo Akademi, Turku (Finland)

    1996-12-31

    The presentation gives an introduction to some of the present issues and problems in treating the complex chemical processes in combustion. The focus is in the coupling of the hydrocarbon combustion process with nitrogen oxide formation and destruction chemistry in practical furnaces or flames. Detailed kinetic modelling based on schemes of elementary reactions are shown to be a useful novel tool for identifying and studying the key reaction paths for nitrogen oxide formation and destruction in various systems. The great importance of the interaction between turbulent mixing and combustion chemistry is demonstrated by the sensitivity of both methane oxidation chemistry and fuel nitrogen conversion chemistry to the reactor and mixing pattern chosen for the kinetic calculations. The fluidized bed combustion (FBC) nitrogen chemistry involves several important heterogeneous reactions. Particularly the char in the bed plays an essential role. Recent research has advanced rapidly and the presentation proposes an overall picture of the fuel nitrogen reaction routes in circulating FBC conditions. (author)

  1. Chemical Dissolution of Simulant FCA Cladding and Plates

    Energy Technology Data Exchange (ETDEWEB)

    Daniel, G. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Pierce, R. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); O' Rourke, P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-11-08

    The Savannah River Site (SRS) has received some fast critical assembly (FCA) fuel from the Japan Atomic Energy Agency (JAEA) for disposition. Among the JAEA FCA fuel are approximately 7090 rectangular Stainless Steel clad fuel elements. Each element has an internal Pu-10.6Al alloy metal wafer. The thickness of each element is either 1/16 inch or 1/32 inch. The dimensions of each element ranges from 2 inches x 1 inch to 2 inches x 4 inches. This report discusses the potential chemical dissolution of the FCA clad material or stainless steel. This technology uses nitric acid-potassium fluoride (HNO3-KF) flowsheets of H-Canyon to dissolve the FCA elements from a rack of materials. Historically, dissolution flowsheets have aimed to maximize Pu dissolution rates while minimizing stainless steel dissolution (corrosion) rates. Because the FCA cladding is made of stainless steel, this work sought to accelerate stainless steel dissolution.

  2. Challenges in simulation of chemical processes in combustion furnaces

    Energy Technology Data Exchange (ETDEWEB)

    Hupa, M; Kilpinen, P [Aabo Akademi, Turku (Finland)

    1997-12-31

    The presentation gives an introduction to some of the present issues and problems in treating the complex chemical processes in combustion. The focus is in the coupling of the hydrocarbon combustion process with nitrogen oxide formation and destruction chemistry in practical furnaces or flames. Detailed kinetic modelling based on schemes of elementary reactions are shown to be a useful novel tool for identifying and studying the key reaction paths for nitrogen oxide formation and destruction in various systems. The great importance of the interaction between turbulent mixing and combustion chemistry is demonstrated by the sensitivity of both methane oxidation chemistry and fuel nitrogen conversion chemistry to the reactor and mixing pattern chosen for the kinetic calculations. The fluidized bed combustion (FBC) nitrogen chemistry involves several important heterogeneous reactions. Particularly the char in the bed plays an essential role. Recent research has advanced rapidly and the presentation proposes an overall picture of the fuel nitrogen reaction routes in circulating FBC conditions. (author)

  3. Chemical Simulations of Prebiotic Molecules: Interstellar Ethanimine Isomers

    Science.gov (United States)

    Quan, Donghui; Herbst, Eric; Corby, Joanna F.; Durr, Allison; Hassel, George

    2016-06-01

    The E- and Z-isomers of ethanimine (CH3CHNH) were recently detected toward the star-forming region Sagittarius (Sgr) B2(N) using the Green Bank Telescope PRIMOS cm-wave spectral data, and imaged by the Australia Telescope Compact Array. Ethanimine is not reported in the hot cores of Sgr B2, but only in gas that absorbs at +64 and +82 km s-1 in the foreground of continuum emission generated by H II regions. The ethanimine isomers can serve as precursors of the amino acid alanine and may play important roles in forming biological molecules in the interstellar medium. Here we present a study of the chemistry of ethanimine using a gas-grain simulation based on rate equations, with both isothermal and warm-up conditions. In addition, the density, kinetic temperature, and cosmic ray ionization rate have been varied. For a variety of physical conditions in the warm-up models for Sgr B2(N) and environs, the simulations show reasonable agreement with observationally obtained abundances. Isothermal models of translucent clouds along the same line of sight yield much lower abundances, so that ethanimine would be much more difficult to detect in these sources despite the fact that other complex molecules have been detected there.

  4. CHEMICAL SIMULATIONS OF PREBIOTIC MOLECULES: INTERSTELLAR ETHANIMINE ISOMERS

    Energy Technology Data Exchange (ETDEWEB)

    Quan, Donghui; Durr, Allison [Department of Chemistry, Eastern Kentucky University, Richmond, KY 40475 (United States); Herbst, Eric [Departments of Chemistry and Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); Corby, Joanna F. [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); Hassel, George [Physics and Astronomy Department, Siena College, Loudonville, NY 12211 (United States)

    2016-06-20

    The E- and Z- isomers of ethanimine (CH{sub 3}CHNH) were recently detected toward the star-forming region Sagittarius (Sgr) B2(N) using the Green Bank Telescope PRIMOS cm-wave spectral data, and imaged by the Australia Telescope Compact Array. Ethanimine is not reported in the hot cores of Sgr B2, but only in gas that absorbs at +64 and +82 km s{sup −1} in the foreground of continuum emission generated by H ii regions. The ethanimine isomers can serve as precursors of the amino acid alanine and may play important roles in forming biological molecules in the interstellar medium. Here we present a study of the chemistry of ethanimine using a gas-grain simulation based on rate equations, with both isothermal and warm-up conditions. In addition, the density, kinetic temperature, and cosmic ray ionization rate have been varied. For a variety of physical conditions in the warm-up models for Sgr B2(N) and environs, the simulations show reasonable agreement with observationally obtained abundances. Isothermal models of translucent clouds along the same line of sight yield much lower abundances, so that ethanimine would be much more difficult to detect in these sources despite the fact that other complex molecules have been detected there.

  5. High-Resolution Mesoscale Simulations of the 6-7 May 2000 Missouri Flash Flood: Impact of Model Initialization and Land Surface Treatment

    Science.gov (United States)

    Baker, R. David; Wang, Yansen; Tao, Wei-Kuo; Wetzel, Peter; Belcher, Larry R.

    2004-01-01

    High-resolution mesoscale model simulations of the 6-7 May 2000 Missouri flash flood event were performed to test the impact of model initialization and land surface treatment on timing, intensity, and location of extreme precipitation. In this flash flood event, a mesoscale convective system (MCS) produced over 340 mm of rain in roughly 9 hours in some locations. Two different types of model initialization were employed: 1) NCEP global reanalysis with 2.5-degree grid spacing and 12-hour temporal resolution, and 2) Eta reanalysis with 40- km grid spacing and $hour temporal resolution. In addition, two different land surface treatments were considered. A simple land scheme. (SLAB) keeps soil moisture fixed at initial values throughout the simulation, while a more sophisticated land model (PLACE) allows for r interactive feedback. Simulations with high-resolution Eta model initialization show considerable improvement in the intensity of precipitation due to the presence in the initialization of a residual mesoscale convective vortex (hlCV) from a previous MCS. Simulations with the PLACE land model show improved location of heavy precipitation. Since soil moisture can vary over time in the PLACE model, surface energy fluxes exhibit strong spatial gradients. These surface energy flux gradients help produce a strong low-level jet (LLJ) in the correct location. The LLJ then interacts with the cold outflow boundary of the MCS to produce new convective cells. The simulation with both high-resolution model initialization and time-varying soil moisture test reproduces the intensity and location of observed rainfall.

  6. Equilibrium simulations of proteins using molecular fragment replacement and NMR chemical shifts.

    Science.gov (United States)

    Boomsma, Wouter; Tian, Pengfei; Frellsen, Jes; Ferkinghoff-Borg, Jesper; Hamelryck, Thomas; Lindorff-Larsen, Kresten; Vendruscolo, Michele

    2014-09-23

    Methods of protein structure determination based on NMR chemical shifts are becoming increasingly common. The most widely used approaches adopt the molecular fragment replacement strategy, in which structural fragments are repeatedly reassembled into different complete conformations in molecular simulations. Although these approaches are effective in generating individual structures consistent with the chemical shift data, they do not enable the sampling of the conformational space of proteins with correct statistical weights. Here, we present a method of molecular fragment replacement that makes it possible to perform equilibrium simulations of proteins, and hence to determine their free energy landscapes. This strategy is based on the encoding of the chemical shift information in a probabilistic model in Markov chain Monte Carlo simulations. First, we demonstrate that with this approach it is possible to fold proteins to their native states starting from extended structures. Second, we show that the method satisfies the detailed balance condition and hence it can be used to carry out an equilibrium sampling from the Boltzmann distribution corresponding to the force field used in the simulations. Third, by comparing the results of simulations carried out with and without chemical shift restraints we describe quantitatively the effects that these restraints have on the free energy landscapes of proteins. Taken together, these results demonstrate that the molecular fragment replacement strategy can be used in combination with chemical shift information to characterize not only the native structures of proteins but also their conformational fluctuations.

  7. Correlation of chemical shifts predicted by molecular dynamics simulations for partially disordered proteins

    Energy Technology Data Exchange (ETDEWEB)

    Karp, Jerome M.; Erylimaz, Ertan; Cowburn, David, E-mail: cowburn@cowburnlab.org, E-mail: David.cowburn@einstein.yu.edu [Albert Einstein College of Medicine of Yeshiva University, Department of Biochemistry (United States)

    2015-01-15

    There has been a longstanding interest in being able to accurately predict NMR chemical shifts from structural data. Recent studies have focused on using molecular dynamics (MD) simulation data as input for improved prediction. Here we examine the accuracy of chemical shift prediction for intein systems, which have regions of intrinsic disorder. We find that using MD simulation data as input for chemical shift prediction does not consistently improve prediction accuracy over use of a static X-ray crystal structure. This appears to result from the complex conformational ensemble of the disordered protein segments. We show that using accelerated molecular dynamics (aMD) simulations improves chemical shift prediction, suggesting that methods which better sample the conformational ensemble like aMD are more appropriate tools for use in chemical shift prediction for proteins with disordered regions. Moreover, our study suggests that data accurately reflecting protein dynamics must be used as input for chemical shift prediction in order to correctly predict chemical shifts in systems with disorder.

  8. Simulations of NMR pulse sequences during equilibrium and non-equilibrium chemical exchange

    International Nuclear Information System (INIS)

    Helgstrand, Magnus; Haerd, Torleif; Allard, Peter

    2000-01-01

    The McConnell equations combine the differential equations for a simple two-state chemical exchange process with the Bloch differential equations for a classical description of the behavior of nuclear spins in a magnetic field. This equation system provides a useful starting point for the analysis of slow, intermediate and fast chemical exchange studied using a variety of NMR experiments. The McConnell equations are in the mathematical form of an inhomogeneous system of first-order differential equations. Here we rewrite the McConnell equations in a homogeneous form in order to facilitate fast and simple numerical calculation of the solution to the equation system. The McConnell equations can only treat equilibrium chemical exchange. We therefore also present a homogeneous equation system that can handle both equilibrium and non-equilibrium chemical processes correctly, as long as the kinetics is of first-order. Finally, the same method of rewriting the inhomogeneous form of the McConnell equations into a homogeneous form is applied to a quantum mechanical treatment of a spin system in chemical exchange. In order to illustrate the homogeneous McConnell equations, we have simulated pulse sequences useful for measuring exchange rates in slow, intermediate and fast chemical exchange processes. A stopped-flow NMR experiment was simulated using the equations for non-equilibrium chemical exchange. The quantum mechanical treatment was tested by the simulation of a sensitivity enhanced 15 N-HSQC with pulsed field gradients during slow chemical exchange and by the simulation of the transfer efficiency of a two-dimensional heteronuclear cross-polarization based experiment as a function of both chemical shift difference and exchange rate constants

  9. Optimization of the resolution of remotely sensed digital elevation model to facilitate the simulation and spatial propagation of flood events in flat areas

    Science.gov (United States)

    Karapetsas, Nikolaos; Skoulikaris, Charalampos; Katsogiannos, Fotis; Zalidis, George; Alexandridis, Thomas

    2013-04-01

    The use of satellite remote sensing products, such as Digital Elevation Models (DEMs), under specific computational interfaces of Geographic Information Systems (GIS) has fostered and facilitated the acquisition of data on specific hydrologic features, such as slope, flow direction and flow accumulation, which are crucial inputs to hydrology or hydraulic models at the river basin scale. However, even though DEMs of different resolution varying from a few km up to 20m are freely available for the European continent, these remotely sensed elevation data are rather coarse in cases where large flat areas are dominant inside a watershed, resulting in an unsatisfactory representation of the terrain characteristics. This scientific work aims at implementing a combing interpolation technique for the amelioration of the analysis of a DEM in order to be used as the input ground model to a hydraulic model for the assessment of potential flood events propagation in plains. More specifically, the second version of the ASTER Global Digital Elevation Model (GDEM2), which has an overall accuracy of around 20 meters, was interpolated with a vast number of aerial control points available from the Hellenic Mapping and Cadastral Organization (HMCO). The uncertainty that was inherent in both the available datasets (ASTER & HMCO) and the appearance of uncorrelated errors and artifacts was minimized by incorporating geostatistical filtering. The resolution of the produced DEM was approximately 10 meters and its validation was conducted with the use of an external dataset of 220 geodetic survey points. The derived DEM was then used as an input to the hydraulic model InfoWorks RS, whose operation is based on the relief characteristics contained in the ground model, for defining, in an automated way, the cross section parameters and simulating the flood spatial distribution. The plain of Serres, which is located in the downstream part of the Struma/Strymon transboundary river basin shared

  10. Detailed balance method for chemical potential determination in Monte Carlo and molecular dynamics simulations

    International Nuclear Information System (INIS)

    Fay, P.J.; Ray, J.R.; Wolf, R.J.

    1994-01-01

    We present a new, nondestructive, method for determining chemical potentials in Monte Carlo and molecular dynamics simulations. The method estimates a value for the chemical potential such that one has a balance between fictitious successful creation and destruction trials in which the Monte Carlo method is used to determine success or failure of the creation/destruction attempts; we thus call the method a detailed balance method. The method allows one to obtain estimates of the chemical potential for a given species in any closed ensemble simulation; the closed ensemble is paired with a ''natural'' open ensemble for the purpose of obtaining creation and destruction probabilities. We present results for the Lennard-Jones system and also for an embedded atom model of liquid palladium, and compare to previous results in the literature for these two systems. We are able to obtain an accurate estimate of the chemical potential for the Lennard-Jones system at higher densities than reported in the literature

  11. CHEMSIMUL - A program package for numerical simulation of chemical reaction systems

    International Nuclear Information System (INIS)

    Lang Rasmussen, O.; Bjergbakke, E.

    1984-01-01

    A description is given of a program package, CHEMSIMUL, for numerical simulation of chemical reaction systems. The main components in the package are a translator of chemical equations to differential equations, a balance equation program, a differential equation solver, EPISODE, and an input/output program. The performance of the program is demonstrated by four examples. A manual for the input file and the complete program text with comments are given in Appendices I and II. (author)

  12. Development of a Procedure to Apply Detailed Chemical Kinetic Mechanisms to CFD Simulations as Post Processing

    DEFF Research Database (Denmark)

    Skjøth-Rasmussen, Martin Skov; Glarborg, Peter; Jensen, Anker

    2003-01-01

    mechanism. It involves post-processing of data extracted from computational fluid dynamics simulations. Application of this approach successfully describes combustion chemistry in a standard swirl burner, the so-called Harwell furnace. Nevertheless, it needs validation against more complex combustion models......It is desired to make detailed chemical kinetic mechanisms applicable to the complex geometries of practical combustion devices simulated with computational fluid dynamics tools. This work presents a novel general approach to combining computational fluid dynamics and a detailed chemical kinetic...

  13. Binding affinity and decontamination of dermal decontamination gel to model chemical warfare agent simulants.

    Science.gov (United States)

    Cao, Yachao; Elmahdy, Akram; Zhu, Hanjiang; Hui, Xiaoying; Maibach, Howard

    2018-05-01

    Six chemical warfare agent simulants (trimethyl phosphate, dimethyl adipate, 2-chloroethyl methyl sulfide, diethyl adipate, chloroethyl phenyl sulfide and diethyl sebacate) were studied in in vitro human skin to explore relationship between dermal penetration/absorption and the mechanisms of simulant partitioning between stratum corneum (SC) and water as well as between dermal decontamination gel (DDGel) and water. Both binding affinity to and decontamination of simulants using DDGel were studied. Partition coefficients of six simulants between SC and water (Log P SC/w ) and between DDGel and water (Log P DDGel/w ) were determined. Results showed that DDGel has a similar or higher binding affinity to each simulant compared to SC. The relationship between Log P octanol/water and Log P SC/w as well as between Log P octanol/water and Log P DDGel/w demonstrated that partition coefficient of simulants correlated to their lipophilicity or hydrophilicity. Decontamination efficiency results with DDGel for these simulants were consistent with binding affinity results. Amounts of percentage dose of chemicals in DDGel of trimethyl phosphate, dimethyl adipate, 2-chloroethyl methyl sulfide, diethyl adipate, chloroethyl phenyl sulfide and diethyl sebacate were determined to be 61.15, 85.67, 75.91, 53.53, 89.89 and 76.58, with corresponding amounts absorbed in skin of 0.96, 0.65, 1.68, 0.72, 0.57 and 1.38, respectively. In vitro skin decontamination experiments coupled with a dermal absorption study demonstrated that DDGel can efficiently remove chemicals from skin surface, back-extract from the SC, and significantly reduced chemical penetration into skin or systemic absorption for all six simulants tested. Therefore, DDGel offers a great potential as a NextGen skin Decon platform technology for both military and civilian use. Copyright © 2018 John Wiley & Sons, Ltd.

  14. Computational fluid dynamics simulation for chemical looping combustion of coal in a dual circulation fluidized bed

    International Nuclear Information System (INIS)

    Su, Mingze; Zhao, Haibo; Ma, Jinchen

    2015-01-01

    Highlights: • CFD simulation of a 5 kW_t_h CLC reactor of coal was conducted. • Gas leakage, flow pattern and combustion efficiency of the reactor was analyzed. • Optimal condition was achieved based on operation characteristics understanding. - Abstract: A dual circulation fluidized bed system is widely accepted for chemical looping combustion (CLC) for enriching CO_2 from the utilization of fossil fuels. Due to the limitations of the measurement, the details of multiphase reactive flows in the interconnected fluidized bed reactors are difficult to obtain. Computational Fluid Dynamics (CFD) simulation provides a promising method to understand the hydrodynamics, chemical reaction, and heat and mass transfers in CLC reactors, which are very important for the rational design, optimal operation, and scaling-up of the CLC system. In this work, a 5 kW_t_h coal-fired CLC dual circulation fluidized bed system, which was developed by our research group, was first simulated for understanding gas leakage, flow pattern and combustion efficiency. The simulation results achieved good agreement with the experimental measurements, which validates the simulation model. Subsequently, to improve the combustion efficiency, a new operation condition was simulated by increasing the reactor temperature and decreasing the coal feeding. An improvement in the combustion efficiency was attained, and the simulation results for the new operation condition were also validated by the experimental measurements in the same CLC combustor. All of the above processes demonstrated the validity and usefulness of the simulation results to improve the CLC reactor operation.

  15. 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.

  16. Hydrometeorological multi-model ensemble simulations of the 4 November 2011 flash flood event in Genoa, Italy, in the framework of the DRIHM project

    Directory of Open Access Journals (Sweden)

    A. Hally

    2015-03-01

    Full Text Available The e-Science environment developed in the framework of the EU-funded DRIHM project was used to demonstrate its ability to provide relevant, meaningful hydrometeorological forecasts. This was illustrated for the tragic case of 4 November 2011, when Genoa, Italy, was flooded as the result of heavy, convective precipitation that inundated the Bisagno catchment. The Meteorological Model Bridge (MMB, an innovative software component developed within the DRIHM project for the interoperability of meteorological and hydrological models, is a key component of the DRIHM e-Science environment. The MMB allowed three different rainfall-discharge models (DRiFt, RIBS and HBV to be driven by four mesoscale limited-area atmospheric models (WRF-NMM, WRF-ARW, Meso-NH and AROME and a downscaling algorithm (RainFARM in a seamless fashion. In addition to this multi-model configuration, some of the models were run in probabilistic mode, thus giving a comprehensive account of modelling errors and a very large amount of likely hydrometeorological scenarios (> 1500. The multi-model approach proved to be necessary because, whilst various aspects of the event were successfully simulated by different models, none of the models reproduced all of these aspects correctly. It was shown that the resulting set of simulations helped identify key atmospheric processes responsible for the large rainfall accumulations over the Bisagno basin. The DRIHM e-Science environment facilitated an evaluation of the sensitivity to atmospheric and hydrological modelling errors. This showed that both had a significant impact on predicted discharges, the former being larger than the latter. Finally, the usefulness of the set of hydrometeorological simulations was assessed from a flash flood early-warning perspective.

  17. Camp Marmal Flood Study

    Science.gov (United States)

    2012-03-01

    was simulated by means of a broad - crested weir built into the topography of the mesh. There is 0.5 m of freeboard and the width of the weir is 30 m...ER D C/ CH L TR -1 2- 5 Camp Marmal Flood Study Co as ta l a nd H yd ra ul ic s La bo ra to ry Jeremy A. Sharp , Steve H. Scott...Camp Marmal Flood Study Jeremy A. Sharp , Steve H. Scott, Mark R. Jourdan, and Gaurav Savant Coastal and Hydraulics Laboratory U.S. Army Engineer

  18. Continuous Sub-daily Rainfall Simulation for Regional Flood Risk Assessment - Modelling of Spatio-temporal Correlation Structure of Extreme Precipitation in the Austrian Alps

    Science.gov (United States)

    Salinas, J. L.; Nester, T.; Komma, J.; Bloeschl, G.

    2017-12-01

    Generation of realistic synthetic spatial rainfall is of pivotal importance for assessing regional hydroclimatic hazard as the input for long term rainfall-runoff simulations. The correct reproduction of observed rainfall characteristics, such as regional intensity-duration-frequency curves, and spatial and temporal correlations is necessary to adequately model the magnitude and frequency of the flood peaks, by reproducing antecedent soil moisture conditions before extreme rainfall events, and joint probability of flood waves at confluences. In this work, a modification of the model presented by Bardossy and Platte (1992), where precipitation is first modeled on a station basis as a multivariate autoregressive model (mAr) in a Normal space. The spatial and temporal correlation structures are imposed in the Normal space, allowing for a different temporal autocorrelation parameter for each station, and simultaneously ensuring the positive-definiteness of the correlation matrix of the mAr errors. The Normal rainfall is then transformed to a Gamma-distributed space, with parameters varying monthly according to a sinusoidal function, in order to adapt to the observed rainfall seasonality. One of the main differences with the original model is the simulation time-step, reduced from 24h to 6h. Due to a larger availability of daily rainfall data, as opposite to sub-daily (e.g. hourly), the parameters of the Gamma distributions are calibrated to reproduce simultaneously a series of daily rainfall characteristics (mean daily rainfall, standard deviations of daily rainfall, and 24h intensity-duration-frequency [IDF] curves), as well as other aggregated rainfall measures (mean annual rainfall, and monthly rainfall). The calibration of the spatial and temporal correlation parameters is performed in a way that the catchment-averaged IDF curves aggregated at different temporal scales fit the measured ones. The rainfall model is used to generate 10.000 years of synthetic

  19. Testing of the river system simulator on the river system of Stjoerdalen. Simulation of floods in the lower parts of the Stjoerdalselva with HEC-2; Utproeving av vassdragssimulatoren i Stjoerdalsvassdraget. Simulering av flomforhold i nedre deler av Stjoerdalselva med HEC-2

    Energy Technology Data Exchange (ETDEWEB)

    Harby, A.; Bakken, T.H.

    1994-05-01

    This report describes a part of the testing of a computer simulator for river systems. The simulator can be used to simulate how a river system is affected by various types of exploitation and will be especially useful for consequence analyses. The simulator has been tested on three river systems in Norway. Being one of 17 reports on the complete testing, this report concentrates on the flood conditions in the lower parts of the river Stjoerdalselva. This area is flat farm land with some risk of floods. The simulation model used is HEC-2 and should not be used if the flow pattern changes from subcritical to supercriticle flow. 3 refs., 2 figs., 3 tabs.

  20. Development of tight-binding, chemical-reaction-dynamics simulator for combinatorial computational chemistry

    International Nuclear Information System (INIS)

    Kubo, Momoji; Ando, Minako; Sakahara, Satoshi; Jung, Changho; Seki, Kotaro; Kusagaya, Tomonori; Endou, Akira; Takami, Seiichi; Imamura, Akira; Miyamoto, Akira

    2004-01-01

    Recently, we have proposed a new concept called 'combinatorial computational chemistry' to realize a theoretical, high-throughput screening of catalysts and materials. We have already applied our combinatorial, computational-chemistry approach, mainly based on static first-principles calculations, to various catalysts and materials systems and its applicability to the catalysts and materials design was strongly confirmed. In order to realize more effective and efficient combinatorial, computational-chemistry screening, a high-speed, chemical-reaction-dynamics simulator based on quantum-chemical, molecular-dynamics method is essential. However, to the best of our knowledge, there is no chemical-reaction-dynamics simulator, which has an enough high-speed ability to perform a high-throughput screening. In the present study, we have succeeded in the development of a chemical-reaction-dynamics simulator based on our original, tight-binding, quantum-chemical, molecular-dynamics method, which is more than 5000 times faster than the regular first-principles, molecular-dynamics method. Moreover, its applicability and effectiveness to the atomistic clarification of the methanol-synthesis dynamics at reaction temperature were demonstrated

  1. Numerical simulation study on rolling-chemical milling process of aluminum-lithium alloy skin panel

    Science.gov (United States)

    Huang, Z. B.; Sun, Z. G.; Sun, X. F.; Li, X. Q.

    2017-09-01

    Single curvature parts such as aircraft fuselage skin panels are usually manufactured by rolling-chemical milling process, which is usually faced with the problem of geometric accuracy caused by springback. In most cases, the methods of manual adjustment and multiple roll bending are used to control or eliminate the springback. However, these methods can cause the increase of product cost and cycle, and lead to material performance degradation. Therefore, it is of significance to precisely control the springback of rolling-chemical milling process. In this paper, using the method of experiment and numerical simulation on rolling-chemical milling process, the simulation model for rolling-chemical milling process of 2060-T8 aluminum-lithium alloy skin was established and testified by the comparison between numerical simulation and experiment results for the validity. Then, based on the numerical simulation model, the relative technological parameters which influence on the curvature of the skin panel were analyzed. Finally, the prediction of springback and the compensation can be realized by controlling the process parameters.

  2. Simulating chemical systems : MPI and GPU parallelization of novel SD algorithms

    NARCIS (Netherlands)

    Goga, N.

    Molecular dynamics is used for simulating chemical systems with the goal of studying a large range of phenomena starting from cell structures to the design of new materials, drugs, etc. A very important component of molecular dynamics is the use of well-suited atomistic and molecular modelling of

  3. Chemical compatibility screening results of plastic packaging to mixed waste simulants

    International Nuclear Information System (INIS)

    Nigrey, P.J.; Dickens, T.G.

    1995-01-01

    We have developed a chemical compatibility program for evaluating transportation packaging components for transporting mixed waste forms. We have performed the first phase of this experimental program to determine the effects of simulant mixed wastes on packaging materials. This effort involved the screening of 10 plastic materials in four liquid mixed waste simulants. The testing protocol involved exposing the respective materials to ∼3 kGy of gamma radiation followed by 14 day exposures to the waste simulants of 60 C. The seal materials or rubbers were tested using VTR (vapor transport rate) measurements while the liner materials were tested using specific gravity as a metric. For these tests, a screening criteria of ∼1 g/m 2 /hr for VTR and a specific gravity change of 10% was used. It was concluded that while all seal materials passed exposure to the aqueous simulant mixed waste, EPDM and SBR had the lowest VTRs. In the chlorinated hydrocarbon simulant mixed waste, only VITON passed the screening tests. In both the simulant scintillation fluid mixed waste and the ketone mixture simulant mixed waste, none of the seal materials met the screening criteria. It is anticipated that those materials with the lowest VTRs will be evaluated in the comprehensive phase of the program. For specific gravity testing of liner materials the data showed that while all materials with the exception of polypropylene passed the screening criteria, Kel-F, HDPE, and XLPE were found to offer the greatest resistance to the combination of radiation and chemicals

  4. A constrained approach to multiscale stochastic simulation of chemically reacting systems

    KAUST Repository

    Cotter, Simon L.

    2011-01-01

    Stochastic simulation of coupled chemical reactions is often computationally intensive, especially if a chemical system contains reactions occurring on different time scales. In this paper, we introduce a multiscale methodology suitable to address this problem, assuming that the evolution of the slow species in the system is well approximated by a Langevin process. It is based on the conditional stochastic simulation algorithm (CSSA) which samples from the conditional distribution of the suitably defined fast variables, given values for the slow variables. In the constrained multiscale algorithm (CMA) a single realization of the CSSA is then used for each value of the slow variable to approximate the effective drift and diffusion terms, in a similar manner to the constrained mean-force computations in other applications such as molecular dynamics. We then show how using the ensuing Fokker-Planck equation approximation, we can in turn approximate average switching times in stochastic chemical systems. © 2011 American Institute of Physics.

  5. Simulating Mobility of Chemical Contaminants from Unconventional Gas Development for Protection of Water Resources

    Science.gov (United States)

    Kanno, C.; Edlin, D.; Borrillo-Hutter, T.; McCray, J. E.

    2014-12-01

    Potential contamination of ground water and surface water supplies from chemical contaminants in hydraulic fracturing fluids or in natural gas is of high public concern. However, quantitative assessments have rarely been conducted at specific energy-producing locations so that the true risk of contamination can be evaluated. The most likely pathways for contamination are surface spills and faulty well bores that leak production fluids directly into an aquifer. This study conducts fate and transport simulations of the most mobile chemical contaminants, based on reactivity to subsurface soils, degradation potential, and source concentration, to better understand which chemicals are most likely to contaminate water resources, and to provide information to planners who wish to be prepared for accidental releases. The simulations are intended to be most relevant to the Niobrara shale formation.

  6. A Study of the arsenic profiles in NMOS by using chemical etching and simulation

    International Nuclear Information System (INIS)

    Jung, Won-Chae; Lee, Kil-Dong

    2004-01-01

    For integrated semiconductor devices, the one-, two-, and three-dimensional impurity distributions are very important for the analyzing the devices. The one-dimensional arsenic profiles were measured by using secondary ion mass spectroscopy (SIMS), and simulation data were obtained by using the TSUPREM4 and UT-Marlowe programs. The two-dimensional profiles of arsenic were directly measured by using the chemical etching-method, and the measured 2D profiles were compared with simulation data obtained from TSUPREM4. A Taurus simulation tool was used to obtain the 3D arsenic profiles. The simulated data of UT-Marlowe in 1D agreed very well with the SIMS data. The measured two-dimensional transmission electron microscope (TEM) data obtained by using the chemical etching-method matched very well with the results of the TSUPREM4 simulation. The chemical etching and the TEM measurement methods demonstrated and visualized the two-dimensional impurity distributions and structures of the devices.

  7. BEHAVIOR OF SURFACTANT MIXTURE AT SOLID/LIQUID AND OIL/LIQUID INTERFACE IN CHEMICAL FLOODING SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    Prof. P. Somasundaran

    2002-03-01

    The aim of the project is to develop and evaluate efficient novel surfactant mixtures for enhanced oil recovery. Preliminary ultra-filtration tests suggest that two kinds of micelles may exist in binary surfactant mixtures at different concentrations. Due to the important role played in interfacial processes by micelles as determined by their structures, focus of the current work is on the delineation of the relationship between such aggregate structures and chemical compositions of the surfactants. A novel analytical centrifuge application is explored to generate information on structures of different surfactants aggregates. In this report, optical systems, typical output of the analytical ultracentrifuge results and four basic experiments are discussed. Initial sedimentation velocity investigations were conducted using nonyl phenol ethoxylated decyl ether (NP-10) to choose the best analytical protocol, calculate the partial specific volume and obtain information on sedimentation coefficient, aggregation mass of micelles. The partial specific volume was calculated to be 0.920. Four softwares: Optima{trademark} XL-A/XL-I data analysis software, DCDT+, Svedberg and SEDFIT, were compared for the analysis of sedimentation velocity experimental data. The sedimentation coefficient and aggregation number of NP-10 micelles obtained using the first three softwares at 25 C are 209, 127, and 111, respectively. The last one is closest to the result from Light Scattering. The reason for the differences in numbers obtained using the three softwares is discussed. Based on these tests, Svedberg and SEDFIT analysis are chosen for further studies. This approach using the analytical ultracentrifugation offers an unprecedented opportunity now to obtain important information on mixed micelles and their role in interfacial processes.

  8. Evaluating climate change adaptation options for urban flooding in Copenhagen based on new high‐end emission scenario simulations

    DEFF Research Database (Denmark)

    Arnbjerg-Nielsen, Karsten; Leonhardsen, Lykke; Madsen, Henrik

    2014-01-01

    Climate change adaptation studies on urban flooding are often based on a model chain approach from climate forcing scenarios to analysis of adaptation measures. Previous analyses of impacts in Denmark using ensemble projections of the A1B scenario are supplemented by two high‐end scenario...... to change substantially. The impacts are assessed using Copenhagen as a case study. For both types of extremes large adaptation measures are essential in the global six degree scenario; dikes must be constructed to mitigate sea surge risk and a variety of measures to store or convey storm water must...... be implemented as well as new paradigms for city planning to mitigate the impact of change in extreme precipitation risk. For both hazards business‐as‐usual are not possible scenarios, because large autonomous adaptation will occur in lack of suitable policy‐driven changes. Copenhagen has developed an adaptation...

  9. Towards a Flood Severity Index

    Science.gov (United States)

    Kettner, A.; Chong, A.; Prades, L.; Brakenridge, G. R.; Muir, S.; Amparore, A.; Slayback, D. A.; Poungprom, R.

    2017-12-01

    Flooding is the most common natural hazard worldwide, affecting 21 million people every year. In the immediate moments following a flood event, humanitarian actors like the World Food Program need to make rapid decisions ( 72 hrs) on how to prioritize affected areas impacted by such an event. For other natural disasters like hurricanes/cyclones and earthquakes, there are industry-recognized standards on how the impacted areas are to be classified. Shake maps, quantifying peak ground motion, from for example the US Geological Survey are widely used for assessing earthquakes. Similarly, cyclones are tracked by Joint Typhoon Warning Center (JTWC) and Global Disaster Alert and Coordination System (GDACS) who release storm nodes and tracks (forecasted and actual), with wind buffers and classify the event according to the Saffir-Simpson Hurricane Wind Scale. For floods, the community is usually able to acquire unclassified data of the flood extent as identified from satellite imagery. Most often no water discharge hydrograph is available to classify the event into recurrence intervals simply because there is no gauging station, or the gauging station was unable to record the maximum discharge due to overtopping or flood damage. So, the question remains: How do we methodically turn a flooded area into classified areas of different gradations of impact? Here, we present a first approach towards developing a global applicable flood severity index. The flood severity index is set up such that it considers relatively easily obtainable physical parameters in a short period of time like: flood frequency (relating the current flood to historical events) and magnitude, as well as land cover, slope, and where available pre-event simulated flood depth. The scale includes categories ranging from very minor flooding to catastrophic flooding. We test and evaluate the postulated classification scheme against a set of past flood events. Once a severity category is determined, socio

  10. Condition Assessment of Levees, U.S. Section of the International Boundary and Water Commission. Report 5: Flood Simulation Study of Retamal Levee, Lower Rio Grande Valley, Texas, Using Seismic and Electrical Geophysical Models

    National Research Council Canada - National Science Library

    Dunbar, Joseph B; Llopis, Jose L; Sills, George L; Smith, Eric W; Miller, Rick D; Ivanov, Julian; Corwin, Robert F

    2007-01-01

    In November 2004, a team from the U.S. Army Engineer Research and Development Center conducted a ponding test on a reach of the Retamal levee in the Lower Rio Grande Valley to simulate performance of the levee during a flood event...

  11. Automated chemical kinetic modeling via hybrid reactive molecular dynamics and quantum chemistry simulations.

    Science.gov (United States)

    Döntgen, Malte; Schmalz, Felix; Kopp, Wassja A; Kröger, Leif C; Leonhard, Kai

    2018-06-13

    An automated scheme for obtaining chemical kinetic models from scratch using reactive molecular dynamics and quantum chemistry simulations is presented. This methodology combines the phase space sampling of reactive molecular dynamics with the thermochemistry and kinetics prediction capabilities of quantum mechanics. This scheme provides the NASA polynomial and modified Arrhenius equation parameters for all species and reactions that are observed during the simulation and supplies them in the ChemKin format. The ab initio level of theory for predictions is easily exchangeable and the presently used G3MP2 level of theory is found to reliably reproduce hydrogen and methane oxidation thermochemistry and kinetics data. Chemical kinetic models obtained with this approach are ready-to-use for, e.g., ignition delay time simulations, as shown for hydrogen combustion. The presented extension of the ChemTraYzer approach can be used as a basis for methodologically advancing chemical kinetic modeling schemes and as a black-box approach to generate chemical kinetic models.

  12. A MODELING AND SIMULATION LANGUAGE FOR BIOLOGICAL CELLS WITH COUPLED MECHANICAL AND CHEMICAL PROCESSES.

    Science.gov (United States)

    Somogyi, Endre; Glazier, James A

    2017-04-01

    Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical properties, chemical uptake and secretion, cell differentiation, proliferation, death, and migration. Modeling and simulation of such dynamic phenomena poses a number of computational challenges. A modeling language describing cellular dynamics must naturally represent complex intra and extra-cellular spatial structures and coupled mechanical, chemical and electrical processes. Domain experts will find a modeling language most useful when it is based on concepts, terms and principles native to the problem domain. A compiler must then be able to generate an executable model from this physically motivated description. Finally, an executable model must efficiently calculate the time evolution of such dynamic and inhomogeneous phenomena. We present a spatial hybrid systems modeling language, compiler and mesh-free Lagrangian based simulation engine which will enable domain experts to define models using natural, biologically motivated constructs and to simulate time evolution of coupled cellular, mechanical and chemical processes acting on a time varying number of cells and their environment.

  13. Preparation and Characterization of Chemical Plugs Based on Selected Hanford Waste Simulants

    International Nuclear Information System (INIS)

    Mattigod, Shas V.; Wellman, Dawn M.; Parker, Kent E.; Cordova, Elsa A.; Gunderson, Katie M.; Baum, Steven R.; Crum, Jarrod V.; Poloski, Adam P.

    2008-01-01

    This report presents the results of preparation and characterization of chemical plugs based on selected Hanford Site waste simulants. Included are the results of chemical plug bench testing conducted in support of the M1/M6 Flow Loop Chemical Plugging/Unplugging Test (TP-RPP-WTP-495 Rev A). These results support the proposed plug simulants for the chemical plugging/ unplugging tests. Based on the available simulant data, a set of simulants was identified that would likely result in chemical plugs. The three types of chemical plugs that were generated and tested in this task consisted of: 1. Aluminum hydroxide (NAH), 2. Sodium aluminosilicate (NAS), and 3. Sodium aluminum phosphate (NAP). While both solvents, namely 2 molar (2 M) nitric acid (HNO3) and 2 M sodium hydroxide (NaOH) at 60 C, used in these tests were effective in dissolving the chemical plugs, the 2 M nitric acid was significantly more effective in dissolving the NAH and NAS plugs. The caustic was only slightly more effecting at dissolving the NAP plug. In the bench-scale dissolution tests, hot (60 C) 2 M nitric acid was the most effective solvent in that it completely dissolved both NAH and NAS chemical plugs much faster (1.5 - 2 x) than 2 M sodium hydroxide. So unless there are operational benefits for the use of caustic verses nitric acid, 2 M nitric acid heated to 60 C should be the solvent of choice for dissolving these chemical plugs. Flow-loop testing was planned to identify a combination of parameters such as pressure, flush solution, composition, and temperature that would effectively dissolve and flush each type of chemical plug from preformed chemical plugs in 3-inch-diameter and 4-feet-long pipe sections. However, based on a review of the results of the bench-top tests and technical discussions, the Waste Treatment Plant (WTP) Research and Technology (R and T), Engineering and Mechanical Systems (EMS), and Operations concluded that flow-loop testing of the chemically plugged pipe sections

  14. DEVELOPMENT OF AN INSOLUBLE SALT SIMULANT TO SUPPORT ENHANCED CHEMICAL CLEANING TESTS

    International Nuclear Information System (INIS)

    Eibling, R

    2008-01-01

    The closure process for high level waste tanks at the Savannah River Site will require dissolution of the crystallized salts that are currently stored in many of the tanks. The insoluble residue from salt dissolution is planned to be removed by an Enhanced Chemical Cleaning (ECC) process. Development of a chemical cleaning process requires an insoluble salt simulant to support evaluation tests of different cleaning methods. The Process Science and Engineering section of SRNL has been asked to develop an insoluble salt simulant for use in testing potential ECC processes (HLE-TTR-2007-017). An insoluble salt simulant has been developed based upon the residues from salt dissolution of saltcake core samples from Tank 28F. The simulant was developed for use in testing SRS waste tank chemical cleaning methods. Based on the results of the simulant development process, the following observations were developed: (1) A composition based on the presence of 10.35 grams oxalate and 4.68 grams carbonate per 100 grams solids produces a sufficiently insoluble solids simulant. (2) Aluminum observed in the solids remaining from actual waste salt dissolution tests is probably precipitated from sodium aluminate due to the low hydroxide content of the saltcake. (3) In-situ generation of aluminum hydroxide (by use of aluminate as the Al source) appears to trap additional salts in the simulant in a manner similar to that expected for actual waste samples. (4) Alternative compositions are possible with higher oxalate levels and lower carbonate levels. (5) The maximum oxalate level is limited by the required Na content of the insoluble solids. (6) Periodic mixing may help to limit crystal growth in this type of salt simulant. (7) Long term storage of an insoluble salt simulant is likely to produce a material that can not be easily removed from the storage container. Production of a relatively fresh simulant is best if pumping the simulant is necessary for testing purposes. The insoluble

  15. A large-scale simulation of climate change effects on flood regime - A case study for the Alabama-Coosa-Tallapoosa River Basin

    Science.gov (United States)

    Dullo, T. T.; Gangrade, S.; Marshall, R.; Islam, S. R.; Ghafoor, S. K.; Kao, S. C.; Kalyanapu, A. J.

    2017-12-01

    The damage and cost of flooding are continuously increasing due to climate change and variability, which compels the development and advance of global flood hazard models. However, due to computational expensiveness, evaluation of large-scale and high-resolution flood regime remains a challenge. The objective of this research is to use a coupled modeling framework that consists of a dynamically downscaled suite of eleven Coupled Model Intercomparison Project Phase 5 (CMIP5) climate models, a distributed hydrologic model called DHSVM, and a computational-efficient 2-dimensional hydraulic model called Flood2D-GPU to study the impacts of climate change on flood regime in the Alabama-Coosa-Tallapoosa (ACT) River Basin. Downscaled meteorologic forcings for 40 years in the historical period (1966-2005) and 40 years in the future period (2011-2050) were used as inputs to drive the calibrated DHSVM to generate annual maximum flood hydrographs. These flood hydrographs along with 30-m resolution digital elevation and estimated surface roughness were then used by Flood2D-GPU to estimate high-resolution flood depth, velocities, duration, and regime. Preliminary results for the Conasauga river basin (an upper subbasin within ACT) indicate that seven of the eleven climate projections show an average increase of 25 km2 in flooded area (between historic and future projections). Future work will focus on illustrating the effects of climate change on flood duration and area for the entire ACT basin.

  16. On mathematical modeling and numerical simulation of chemical kinetics in turbulent lean premixed combustion

    Energy Technology Data Exchange (ETDEWEB)

    Lilleberg, Bjorn

    2011-07-01

    This thesis investigates turbulent reacting lean premixed flows with detailed treatment of the chemistry. First, the fundamental equations which govern laminar and turbulent reacting flows are presented. A perfectly stirred reactor numerical code is developed to investigate the role of unmixedness and chemical kinetics in driving combustion instabilities. This includes both global single-step and detailed chemical kinetic mechanisms. The single-step mechanisms predict to some degree a similar behavior as the detailed mechanisms. However, it is shown that simple mechanisms can by themselves introduce instabilities. Magnussens Eddy Dissipation Concept (EDC) for turbulent combustion is implemented in the open source CFD toolbox OpenFOAM R for treatment of both fast and detailed chemistry. RANS turbulence models account for the turbulent compressible flow. A database of pre-calculated chemical time scales, which contains the influence of chemical kinetics, is coupled to EDC with fast chemistry to account for local extinction in both diffusion and premixed flames. Results are compared to fast and detailed chemistry calculations. The inclusion of the database shows significantly better results than the fast chemistry calculations while having a comparably small computational cost. Numerical simulations of four piloted lean premixed jet flames falling into the 'well stirred reactor/broken reaction zones' regime, with strong finite-rate chemistry effects, are performed. Measured and predicted scalars compare well for the two jets with the lowest velocities. The two jets with the highest velocities experience extinction and reignition, and the simulations are able to capture the decrease and increase of the OH mass fractions, but the peak values are higher than in the experiments. Also numerical simulations of a lean premixed lifted jet flame with high sensitivity to turbulence modeling and chemical kinetics are performed. Limitations of the applied turbulence and

  17. Transboundary radioactive and chemical pollution simulation using an atmospheric/marine predicting system

    International Nuclear Information System (INIS)

    Telenta, B.; Antic, D.

    2001-01-01

    The atmospheric models can be used to simulate the transport of contaminants in typical accidental cases and for realistic meteorological conditions. Some numerical models for weather forecast can be used for near to real simulations of propagation of radioactive nuclides or classical chemical pollutants to the atmosphere. The various meteorological parameters are taken into account and various meteorological conditions, even complex ones, can be analyzed. The models can be used for very well assessment of the airborne pollution from energy sources and industrial installations, for comparative studies and for safety analysis. This report describes an proposal for a project of the transboundary pollution simulation, that can be used for the East Mediterranean Region. The project is based on the numerical models developed in the in simulating of the Chernobyl accident and similar hypothetical cases. The study is based on an atmospheric models developed in Euro-Mediterranean Centre on Insular Coastal Dynamics (ICoD), Foundation for International Studies, Valeta, Malta

  18. Top flooding modeling with MAAP4 code

    International Nuclear Information System (INIS)

    Brunet-Thibault, E.; Marguet, S.

    2006-01-01

    An engineering top flooding model was developed in MAAP4.04d.4, the severe accident code used in EDF, to simulate the thermal-hydraulic phenomena that should take place if emergency core cooling (ECC) water was injected in hot leg during quenching. In the framework of the ISTC (International Science and Technology Centre), a top flooding test was proposed in the PARAMETER facility (Podolsk, Russia). The MAAP calculation of the PARAMETER top flooding test is presented in this paper. A comparison between top and bottom flooding was made on the bundle test geometry. According to this study, top flooding appears to cool quickly and effectively the upper plenum internals. (author)

  19. New chemical-DSMC method in numerical simulation of axisymmetric rarefied reactive flow

    Science.gov (United States)

    Zakeri, Ramin; Kamali Moghadam, Ramin; Mani, Mahmoud

    2017-04-01

    The modified quantum kinetic (MQK) chemical reaction model introduced by Zakeri et al. is developed for applicable cases in axisymmetric reactive rarefied gas flows using the direct simulation Monte Carlo (DSMC) method. Although, the MQK chemical model uses some modifications in the quantum kinetic (QK) method, it also employs the general soft sphere collision model and Stockmayer potential function to properly select the collision pairs in the DSMC algorithm and capture both the attraction and repulsion intermolecular forces in rarefied gas flows. For assessment of the presented model in the simulation of more complex and applicable reacting flows, first, the air dissociation is studied in a single cell for equilibrium and non-equilibrium conditions. The MQK results agree well with the analytical and experimental data and they accurately predict the characteristics of the rarefied flowfield with chemical reaction. To investigate accuracy of the MQK chemical model in the simulation of the axisymmetric flow, air dissociation is also assessed in an axial hypersonic flow around two geometries, the sphere as a benchmark case and the blunt body (STS-2) as an applicable test case. The computed results including the transient, rotational and vibrational temperatures, species concentration in the stagnation line, and also the heat flux and pressure coefficient on the surface are compared with those of the other chemical methods like the QK and total collision energy (TCE) models and available analytical and experimental data. Generally, the MQK chemical model properly simulates the chemical reactions and predicts flowfield characteristics more accurate rather than the typical QK model. Although in some cases, results of the MQK approaches match with those of the TCE method, the main point is that the MQK does not need any experimental data or unrealistic assumption of specular boundary condition as used in the TCE method. Another advantage of the MQK model is the

  20. Impact of contaminants on aquatic systems and inundated sites with respect to flood events - In vitro biotests, chemical target analysis and fractionation methods

    OpenAIRE

    Wölz, Jan

    2009-01-01

    Scope of the present study is the development and application of aquatic in vitro bioassays and methods of effect-directed analysis (EDA). It aims at investigating contamination of suspended particulate matter (SPM) and pollution of inundated sites and riparian aquifer, respectively. In the first part of this study, SPM was sampled during flood events and toxicological activities were determined. The second part of the study dealt with possible conflict of interests between flood management (...

  1. Using Equation-Free Computation to Accelerate Network-Free Stochastic Simulation of Chemical Kinetics.

    Science.gov (United States)

    Lin, Yen Ting; Chylek, Lily A; Lemons, Nathan W; Hlavacek, William S

    2018-06-21

    The chemical kinetics of many complex systems can be concisely represented by reaction rules, which can be used to generate reaction events via a kinetic Monte Carlo method that has been termed network-free simulation. Here, we demonstrate accelerated network-free simulation through a novel approach to equation-free computation. In this process, variables are introduced that approximately capture system state. Derivatives of these variables are estimated using short bursts of exact stochastic simulation and finite differencing. The variables are then projected forward in time via a numerical integration scheme, after which a new exact stochastic simulation is initialized and the whole process repeats. The projection step increases efficiency by bypassing the firing of numerous individual reaction events. As we show, the projected variables may be defined as populations of building blocks of chemical species. The maximal number of connected molecules included in these building blocks determines the degree of approximation. Equation-free acceleration of network-free simulation is found to be both accurate and efficient.

  2. Fat versus Thin Threading Approach on GPUs: Application to Stochastic Simulation of Chemical Reactions

    KAUST Repository

    Klingbeil, Guido; Erban, Radek; Giles, Mike; Maini, Philip K.

    2012-01-01

    We explore two different threading approaches on a graphics processing unit (GPU) exploiting two different characteristics of the current GPU architecture. The fat thread approach tries to minimize data access time by relying on shared memory and registers potentially sacrificing parallelism. The thin thread approach maximizes parallelism and tries to hide access latencies. We apply these two approaches to the parallel stochastic simulation of chemical reaction systems using the stochastic simulation algorithm (SSA) by Gillespie [14]. In these cases, the proposed thin thread approach shows comparable performance while eliminating the limitation of the reaction system's size. © 2006 IEEE.

  3. Fat versus Thin Threading Approach on GPUs: Application to Stochastic Simulation of Chemical Reactions

    KAUST Repository

    Klingbeil, Guido

    2012-02-01

    We explore two different threading approaches on a graphics processing unit (GPU) exploiting two different characteristics of the current GPU architecture. The fat thread approach tries to minimize data access time by relying on shared memory and registers potentially sacrificing parallelism. The thin thread approach maximizes parallelism and tries to hide access latencies. We apply these two approaches to the parallel stochastic simulation of chemical reaction systems using the stochastic simulation algorithm (SSA) by Gillespie [14]. In these cases, the proposed thin thread approach shows comparable performance while eliminating the limitation of the reaction system\\'s size. © 2006 IEEE.

  4. Evaluation of Refuge Life Risk using Geographical and Social Grid-Models with Satellite-Based House Ratio and Flood Depth by Tsunami Simulation

    Science.gov (United States)

    Kaneko, D.; Hosoyamada, T.

    2017-12-01

    evacuation measures against life risk have been created using satellite land-cover classification data in the city. The two models using tsunami-flooding simulation have been used to design the disaster prevention hill. The results obtained contribute to preparing the society for disaster prevention measures or reconstruction after tsunami disasters.

  5. The Effect of Three-Dimensional Simulations on the Understanding of Chemical Structures and Their Properties

    Science.gov (United States)

    Urhahne, Detlef; Nick, Sabine; Schanze, Sascha

    2009-08-01

    In a series of three experimental studies, the effectiveness of three-dimensional computer simulations to aid the understanding of chemical structures and their properties was investigated. Arguments for the usefulness of three-dimensional simulations were derived from Mayer’s generative theory of multimedia learning. Simulations might lead to a decrease in cognitive load and thus support active learning. In our studies, the learning effectiveness of three-dimensional simulations was compared to two-dimensional illustrations by use of different versions of a computer programme concerning the modifications of carbon. The first and third study with freshman students of chemistry and biochemistry show that no more knowledge was acquired when participants learnt with three-dimensional simulations than with two-dimensional figures. In the second study with 16-year old secondary school students, use of simulations facilitated the acquisition of conceptual knowledge. It was concluded that three-dimensional simulations are more effective for younger students who lack the experience of learning with different visual representation formats in chemistry. In all three studies, a significant relationship between spatial ability and conceptual knowledge about the modifications of carbon was detected.

  6. Development of cost-effective surfactant flooding technology. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Pope, G.A.; Sepehrnoori, K.

    1996-11-01

    Task 1 of this research was the development of a high-resolution, fully implicit, finite-difference, multiphase, multicomponent, compositional simulator for chemical flooding. The major physical phenomena modeled in this simulator are dispersion, heterogeneous permeability and porosity, adsorption, interfacial tension, relative permeability and capillary desaturation, compositional phase viscosity, compositional phase density and gravity effects, capillary pressure, and aqueous-oleic-microemulsion phase behavior. Polymer and its non-Newtonian rheology properties include shear-thinning viscosity, permeability reduction, inaccessible pore volume, and adsorption. Options of constant or variable space grids and time steps, constant-pressure or constant-rate well conditions, horizontal and vertical wells, and multiple slug injections are also available in the simulator. The solution scheme used in this simulator is fully implicit. The pressure equation and the mass-conservation equations are solved simultaneously for the aqueous-phase pressure and the total concentrations of each component. A third-order-in-space, second-order-in-time finite-difference method and a new total-variation-diminishing (TVD) third-order flux limiter are used that greatly reduce numerical dispersion effects. Task 2 was the optimization of surfactant flooding. The code UTCHEM was used to simulate surfactant polymer flooding.

  7. Numerical study of Tallinn storm-water system flooding conditions using CFD simulations of multi-phase flow in a large-scale inverted siphon

    Science.gov (United States)

    Kaur, K.; Laanearu, J.; Annus, I.

    2017-10-01

    The numerical experiments are carried out for qualitative and quantitative interpretation of a multi-phase flow processes associated with malfunctioning of the Tallinn storm-water system during rain storms. The investigations are focused on the single-line inverted siphon, which is used as under-road connection of pipes of the storm-water system under interest. A multi-phase flow solver of Computational Fluid Dynamics software OpenFOAM is used for simulating the three-phase flow dynamics in the hydraulic system. The CFD simulations are performed with different inflow rates under same initial conditions. The computational results are compared essentially in two cases 1) design flow rate and 2) larger flow rate, for emptying the initially filled inverted siphon from a slurry-fluid. The larger flow-rate situations are under particular interest to detected possible flooding. In this regard, it is anticipated that the CFD solutions provide an important insight to functioning of inverted siphon under a restricted water-flow conditions at simultaneous presence of air and slurry-fluid.

  8. Development of Computational Approaches for Simulation and Advanced Controls for Hybrid Combustion-Gasification Chemical Looping

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, Abhinaya; Lou, Xinsheng; Neuschaefer, Carl; Chaudry, Majid; Quinn, Joseph

    2012-07-31

    This document provides the results of the project through September 2009. The Phase I project has recently been extended from September 2009 to March 2011. The project extension will begin work on Chemical Looping (CL) Prototype modeling and advanced control design exploration in preparation for a scale-up phase. The results to date include: successful development of dual loop chemical looping process models and dynamic simulation software tools, development and test of several advanced control concepts and applications for Chemical Looping transport control and investigation of several sensor concepts and establishment of two feasible sensor candidates recommended for further prototype development and controls integration. There are three sections in this summary and conclusions. Section 1 presents the project scope and objectives. Section 2 highlights the detailed accomplishments by project task area. Section 3 provides conclusions to date and recommendations for future work.

  9. Large-Eddy Simulation of Chemically Reactive Pollutant Transport from a Point Source in Urban Area

    Science.gov (United States)

    Du, Tangzheng; Liu, Chun-Ho

    2013-04-01

    Most air pollutants are chemically reactive so using inert scalar as the tracer in pollutant dispersion modelling would often overlook their impact on urban inhabitants. In this study, large-eddy simulation (LES) is used to examine the plume dispersion of chemically reactive pollutants in a hypothetical atmospheric boundary layer (ABL) in neutral stratification. The irreversible chemistry mechanism of ozone (O3) titration is integrated into the LES model. Nitric oxide (NO) is emitted from an elevated point source in a rectangular spatial domain doped with O3. The LES results are compared well with the wind tunnel results available in literature. Afterwards, the LES model is applied to idealized two-dimensional (2D) street canyons of unity aspect ratio to study the behaviours of chemically reactive plume over idealized urban roughness. The relation among various time scales of reaction/turbulence and dimensionless number are analysed.

  10. Environmental Decontamination of a Chemical Warfare Simulant Utilizing a Membrane Vesicle-Encapsulated Phosphotriesterase.

    Science.gov (United States)

    Alves, Nathan J; Moore, Martin; Johnson, Brandy J; Dean, Scott N; Turner, Kendrick B; Medintz, Igor L; Walper, Scott A

    2018-05-09

    While technologies for the remediation of chemical contaminants continue to emerge, growing interest in green technologies has led researchers to explore natural catalytic mechanisms derived from microbial species. One such method, enzymatic degradation, offers an alternative to harsh chemical catalysts and resins. Recombinant enzymes, however, are often too labile or show limited activity when challenged with nonideal environmental conditions that may vary in salinity, pH, or other physical properties. Here, we demonstrate how phosphotriesterase encapsulated in a bacterial outer membrane vesicle can be used to degrade the organophosphate chemical warfare agent (CWA) simulant paraoxon in environmental water samples. We also carried out remediation assays on solid surfaces, including glass, painted metal, and fabric, that were selected as representative materials, which could potentially be contaminated with a CWA.

  11. Physical and Liquid Chemical Simulant Formulations for Transuranic Waste in Hanford Single-Shell Tanks

    International Nuclear Information System (INIS)

    Rassat, Scot D.; Bagaasen, Larry M.; Mahoney, Lenna A.; Russell, Renee L.; Caldwell, Dustin D.; Mendoza, Donaldo P.

    2003-01-01

    CH2M HILL Hanford Group, Inc. (CH2M HILL) is in the process of identifying and developing supplemental process technologies to accelerate the tank waste cleanup mission. A range of technologies is being evaluated to allow disposal of Hanford waste types, including transuranic (TRU) process wastes. Ten Hanford single-shell tanks (SSTs) have been identified whose contents may meet the criteria for designation as TRU waste: the B-200 series (241-B-201, -B-202, -B 203, and B 204), the T-200 series (241-T-201, T 202, -T-203, and -T-204), and Tanks 241-T-110 and -T-111. CH2M HILL has requested vendor proposals to develop a system to transfer and package the contact-handled TRU (CH-TRU) waste retrieved from the SSTs for subsequent disposal at the Waste Isolation Pilot Plant (WIPP). Current plans call for a modified ''dry'' retrieval process in which a liquid stream is used to help mobilize the waste for retrieval and transfer through lines and vessels. This retrieval approach requires that a significant portion of the liquid be removed from the mobilized waste sludge in a ''dewatering'' process such as centrifugation prior to transferring to waste packages in a form suitable for acceptance at WIPP. In support of CH2M HILL's effort to procure a TRU waste handling and packaging process, Pacific Northwest National Laboratory (PNNL) developed waste simulant formulations to be used in evaluating the vendor's system. For the SST CH-TRU wastes, the suite of simulants includes (1) nonradioactive chemical simulants of the liquid fraction of the waste, (2) physical simulants that reproduce the important dewatering properties of the waste, and (3) physical simulants that can be used to mimic important rheological properties of the waste at different points in the TRU waste handling and packaging process. To validate the simulant formulations, their measured properties were compared with the limited data for actual TRU waste samples. PNNL developed the final simulant formulations

  12. Simulation of an integrated gasification combined cycle with chemical-looping combustion and carbon dioxide sequestration

    International Nuclear Information System (INIS)

    Jiménez Álvaro, Ángel; López Paniagua, Ignacio; González Fernández, Celina; Rodríguez Martín, Javier; Nieto Carlier, Rafael

    2015-01-01

    Highlights: • A chemical-looping combustion based integrated gasification combined cycle is simulated. • The energetic performance of the plant is analyzed. • Different hydrogen-content synthesis gases are under study. • Energy savings accounting carbon dioxide sequestration and storage are quantified. • A notable increase on thermal efficiency up to 7% is found. - Abstract: Chemical-looping combustion is an interesting technique that makes it possible to integrate power generation from fuels combustion and sequestration of carbon dioxide without energy penalty. In addition, the combustion chemical reaction occurs with a lower irreversibility compared to a conventional combustion, leading to attain a somewhat higher overall thermal efficiency in gas turbine systems. This paper provides results about the energetic performance of an integrated gasification combined cycle power plant based on chemical-looping combustion of synthesis gas. A real understanding of the behavior of this concept of power plant implies a complete thermodynamic analysis, involving several interrelated aspects as the integration of energy flows between the gasifier and the combined cycle, the restrictions in relation with heat balances and chemical equilibrium in reactors and the performance of the gas turbines and the downstream steam cycle. An accurate thermodynamic modeling is required for the optimization of several design parameters. Simulations to evaluate the energetic efficiency of this chemical-looping-combustion based power plant under diverse working conditions have been carried out, and a comparison with a conventional integrated gasification power plant with precombustion capture of carbon dioxide has been made. Two different synthesis gas compositions have been tried to check its influence on the results. The energy saved in carbon capture and storage is found to be significant and even notable, inducing an improvement of the overall power plant thermal efficiency of

  13. Leading survey and research report for fiscal 1999. Survey and research on chemical reaction simulator technology; 1999 nendo kagaku hanno simulator gijutsu no chosa kenkyu hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-03-01

    Although various chemical reactions are made use of at scenes of chemical industry for the acquisition of desired chemicals, the control of reaction process governing factors, such as temperature, pressure, catalysts, solutions, etc., is found to be carried out only on the empirical basis. At the present time, rational or optimum reaction designs are not to be prepared in a short period of time in the presence of the widespread shortage of knowledge about chemical reactions and of the shortage of understanding of chemical reactions at the micro level. Leading survey and research are conducted for the development of a 'chemical reaction simulator' technology to enable the acquisition of optimum reaction designing guidelines in a short period of time. Using the simulator, a chemical of his choice is inputted by a researcher engaged in the study of an real chemical reaction and then various techniques of computer science are mobilized for the preparation of a huge number of feasible reaction routes, and high-precision simulations are conducted for the feasible reaction routes. The results achieved this fiscal year are reported. The purpose of this research and its ripple effect on new product industry creation are stated. Then the positioning, mission, and concept of such a chemical reaction simulator are described. Finally, the result of research and survey of knowledge databases and the result of research and survey of computational chemistry are stated. (NEDO)

  14. Leading survey and research report for fiscal 1999. Survey and research on chemical reaction simulator technology; 1999 nendo kagaku hanno simulator gijutsu no chosa kenkyu hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-03-01

    Although various chemical reactions are made use of at scenes of chemical industry for the acquisition of desired chemicals, the control of reaction process governing factors, such as temperature, pressure, catalysts, solutions, etc., is found to be carried out only on the empirical basis. At the present time, rational or optimum reaction designs are not to be prepared in a short period of time in the presence of the widespread shortage of knowledge about chemical reactions and of the shortage of understanding of chemical reactions at the micro level. Leading survey and research are conducted for the development of a 'chemical reaction simulator' technology to enable the acquisition of optimum reaction designing guidelines in a short period of time. Using the simulator, a chemical of his choice is inputted by a researcher engaged in the study of an real chemical reaction and then various techniques of computer science are mobilized for the preparation of a huge number of feasible reaction routes, and high-precision simulations are conducted for the feasible reaction routes. The results achieved this fiscal year are reported. The purpose of this research and its ripple effect on new product industry creation are stated. Then the positioning, mission, and concept of such a chemical reaction simulator are described. Finally, the result of research and survey of knowledge databases and the result of research and survey of computational chemistry are stated. (NEDO)

  15. Testing the skill of numerical hydraulic modeling to simulate spatiotemporal flooding patterns in the Logone floodplain, Cameroon

    Science.gov (United States)

    Fernández, Alfonso; Najafi, Mohammad Reza; Durand, Michael; Mark, Bryan G.; Moritz, Mark; Jung, Hahn Chul; Neal, Jeffrey; Shastry, Apoorva; Laborde, Sarah; Phang, Sui Chian; Hamilton, Ian M.; Xiao, Ningchuan

    2016-08-01

    Recent innovations in hydraulic modeling have enabled global simulation of rivers, including simulation of their coupled wetlands and floodplains. Accurate simulations of floodplains using these approaches may imply tremendous advances in global hydrologic studies and in biogeochemical cycling. One such innovation is to explicitly treat sub-grid channels within two-dimensional models, given only remotely sensed data in areas with limited data availability. However, predicting inundated area in floodplains using a sub-grid model has not been rigorously validated. In this study, we applied the LISFLOOD-FP hydraulic model using a sub-grid channel parameterization to simulate inundation dynamics on the Logone River floodplain, in northern Cameroon, from 2001 to 2007. Our goal was to determine whether floodplain dynamics could be simulated with sufficient accuracy to understand human and natural contributions to current and future inundation patterns. Model inputs in this data-sparse region include in situ river discharge, satellite-derived rainfall, and the shuttle radar topography mission (SRTM) floodplain elevation. We found that the model accurately simulated total floodplain inundation, with a Pearson correlation coefficient greater than 0.9, and RMSE less than 700 km2, compared to peak inundation greater than 6000 km2. Predicted discharge downstream of the floodplain matched measurements (Nash-Sutcliffe efficiency of 0.81), and indicated that net flow from the channel to the floodplain was modeled accurately. However, the spatial pattern of inundation was not well simulated, apparently due to uncertainties in SRTM elevations. We evaluated model results at 250, 500 and 1000-m spatial resolutions, and found that results are insensitive to spatial resolution. We also compared the model output against results from a run of LISFLOOD-FP in which the sub-grid channel parameterization was disabled, finding that the sub-grid parameterization simulated more realistic

  16. Adsorption and Desorption of Chemical Warfare Agent Simulants on Silica Surfaces with Hydrophobic Coating

    International Nuclear Information System (INIS)

    Park, Eun Ji; Kim, Young Dok

    2013-01-01

    Aim of our study is finding adsorbents suitable for pre-concentration of chemical warfare agents (CWAs). We considered Tenax, bare silica and polydimethylsiloxane (PDMS)-coated silica as adsorbents for dimethyl methylphosphonate (DMMP) and dipropylene glycol methyl ether (DPGME). Tenax showed lower thermal stability, and therefore, desorption of CWA simulants and decomposition of Tenax took place simultaneously. Silica-based adsorbents showed higher thermal stabilities than Tenax. A drawback of silica was that adsorption of CWA simulant (DMMP) was significantly reduced by pre-treatment of the adsorbents with humid air. In the case of PDMS-coated silica, influence of humidity for CWA simulant adsorption was less pronounced due to the hydrophobic nature of PDMS-coating. We propose that PDMS-coated silica can be of potential importance as adsorbent of CWAs for their pre-concentration, which can facilitate detection of these CWAs

  17. Adsorption and Desorption of Chemical Warfare Agent Simulants on Silica Surfaces with Hydrophobic Coating

    Energy Technology Data Exchange (ETDEWEB)

    Park, Eun Ji; Kim, Young Dok [Sungkyunkwan Univ., Suwon (Korea, Republic of)

    2013-07-15

    Aim of our study is finding adsorbents suitable for pre-concentration of chemical warfare agents (CWAs). We considered Tenax, bare silica and polydimethylsiloxane (PDMS)-coated silica as adsorbents for dimethyl methylphosphonate (DMMP) and dipropylene glycol methyl ether (DPGME). Tenax showed lower thermal stability, and therefore, desorption of CWA simulants and decomposition of Tenax took place simultaneously. Silica-based adsorbents showed higher thermal stabilities than Tenax. A drawback of silica was that adsorption of CWA simulant (DMMP) was significantly reduced by pre-treatment of the adsorbents with humid air. In the case of PDMS-coated silica, influence of humidity for CWA simulant adsorption was less pronounced due to the hydrophobic nature of PDMS-coating. We propose that PDMS-coated silica can be of potential importance as adsorbent of CWAs for their pre-concentration, which can facilitate detection of these CWAs.

  18. Learning from and for rare floods in Dresden – how public officials interpret damage simulation results at the building type level

    Directory of Open Access Journals (Sweden)

    Hutter Gerard

    2016-01-01

    Full Text Available Public officials in Dresden are concerned about learning from and for rare flood events like the Elbe river flood in August 2002. This is interesting because research on individual as well as organizational learning from rare events indicates that this kind of learning faces significant difficulties (e.g., overestimation of rare events for decision-making based on “emotionalized event experience”. Up to now, only little is known what and how public officials in Dresden specifically learn from and for rare floods. Therefore, the paper follows an exploratory purpose in line with principles of qualitative social research. Firstly, the paper explores dealing with rare floods with reference to a conceptual framework that highlights relations between regulative, normative, and cognitive institutions on the one hand and learning of public officials on the other. Secondly, it adopts a single case study design in Dresden with embedded sub-cases that are defined with reference to organizations of FRM. The case study shows, among others, that regulations like the Floods Directive are important for justifying FRM with regard to rare flood events which is less obvious than it sounds. However, public officials display different interpretations of the term “rare flood event”, for instance, in the context of analysing the consequences of floods on the building stock. Furthermore, the case study findings indicate that public officials may follow alternative approaches to sustain commitment in the context of rare flood events (systematic versus pragmatic approach.

  19. Hydrological processes in regional climate model simulations of the central United States flood of June-July 1993

    DEFF Research Database (Denmark)

    Anderson, Christopher J.; Arritt, Raymond W.; Takle, Eugene S.

    2003-01-01

    Thirteen regional climate model (RCM) simulations of June-July 1993 were compared with each other and observations. Water vapor conservation and precipitation characteristics in each RCM were examined for a 10° X 10° subregion of the upper Mississippi River basin, containing the region of maximum...

  20. Can we predict the next urban flood?

    DEFF Research Database (Denmark)

    Thorndahl, Søren; Nielsen, Jesper Ellerbæk; Jensen, David Getreuer

    2015-01-01

    Flooding produced by high-intensive local rainfall and drainage system capacity exceedance can have severe impacts in cities. In order to prepare cities for these types of flood events – especially in the future climate – it is valuable to be able to simulate these events numericallyboth...... historically and in real-time. There is a rather untested potential in real-time prediction of urban floods. In this paper radar data observations with different spatial and temporal resolution, radar nowcasts of 0-2 hours leadtime, and numerical weather models with leadtimes up to 24 h are used as inputs...... to an integrated flood and drainage systems model with the purpose to investigate the potential for predicting future floods. The system is tested on a small town Lystrup in Denmark, which has been recently flooded. Results show that it is possible to generate detailed flood maps in real-time with high resolution...

  1. Simulation of the chemical stage in water radiolysis with the help of Continuous Petri nets

    International Nuclear Information System (INIS)

    Barilla, J.; Lokajíček, M.V.; Pisaková, H.; Simr, P.

    2014-01-01

    The final biological effect of ionizing particles may be influenced often strongly by some chemical substances present in cells during irradiation by low-LET radiation. It may occur during the chemical stage of the given process, due to chemical reactions of radicals running in the given process. However, the whole chemical process may be hardly described sufficiently with the help of the usual approach based on the deterministic diffusion-kinetic computations and the stochastic Monte-Carlo simulations. We have proposed already earlier a model describing the processes (i.e., the combined effect of cluster diffusion and chemical reactions) running in individual radical clusters that might be responsible for corresponding damages of DNA molecules (i.e., formation of DSBs). Now a further generalization of the given model (using Continuous Petri nets) will be presented that makes it possible to characterize more detailed behavior of individual radicals in corresponding clusters, which might be useful especially for low-LET radiation when individual radical clusters meet a DNA molecule at different time intervals after their formation; the decreasing presence of individual radicals in corresponding clusters being established. In this paper we shall focus on the design of the corresponding mathematical model and its application; the comparison of corresponding results with experimental data obtained in the case of deoxygenated system will be presented. - Highlights: • Creation of the mathematical model. • Realization of the model with the help of Continuous Petri nets. • Obtain the time dependence of changes in the concentration of radicals

  2. Natural Flood Management in context: evaluating and enhancing the impact.

    Science.gov (United States)

    Metcalfe, Peter; Beven, Keith; Hankin, Barry; Lamb, Rob

    2016-04-01

    The series of flood events in the UK throughout December 2015 have led to calls for a reappraisal of the country's approach to flood management. In parts of Cumbria so-called "1 in 100" year floods have occurred three times in the last ten years, leading to significant infrastructure damage. Hard-engineered defences upgraded to cope with an anticipated 20% increase in peak flows and these 1% AEP events have been overwhelmed. It has become more widely acknowledged that unsympathetic agricultural and upland management practices, mainly since the Second World War, have led to a significant loss of storage in mid and upper catchments and their consequent ability to retain and slow storm run-off. Natural Flood Management (NFM) is a nature-based solution to restoring this storage and flood peak attenuation through a network of small-scale features exploiting natural topography and materials. Combined with other "soft" interventions such as restoring flood plain roughness and tree-planting, NFM offers the attractive prospect of an intervention that can target both the ecological and chemical objectives of the Water Framework Directive and the resilience demanded by the Floods Directive. We developed a simple computerised physical routing model that can account for the presence of in-channel and offline features such as would be found in a NFM scheme. These will add storage to the channel and floodplain and throttle the downstream discharge at storm flows. The model was applied to the heavily-modified channel network of an agricultural catchment in North Yorkshire using the run-off simulated for two storm events that caused flooding downstream in the autumn of 2012. Using up to 60 online features we demonstrated some gains in channel storage and a small impact on the flood hydrograph which would, however, have been insufficient to prevent the downstream floods in either of the storms. Complementary research at JBA has applied their hydrodynamic model JFLOW+ to identify

  3. Simulated experiment for elimination of chemical and biological warfare agents by making use of microwave plasma torch

    International Nuclear Information System (INIS)

    Hong, Yong C.; Kim, Jeong H.; Uhm, Han S.

    2004-01-01

    The threat of chemical and biological warfare agents in a domestic terrorist attack and in military conflict is increasing worldwide. Elimination and decontamination of chemical and biological warfare (CBW) agents are immediately required after such an attack. Simulated experiment for elimination of CBW agents by making use of atmospheric-pressure microwave plasma torches is carried out. Elimination of biological warfare agents indicated by the vitrification or burnout of sewage sludge powders and decomposition of toluene gas as a chemical agent stimulant are presented. A detailed characterization for the elimination of the simulant chemicals using Fourier transform infrared and gas chromatography is also presented

  4. Simulated experiment for elimination of chemical and biological warfare agents by making use of microwave plasma torch

    Science.gov (United States)

    Hong, Yong C.; Kim, Jeong H.; Uhm, Han S.

    2004-02-01

    The threat of chemical and biological warfare agents in a domestic terrorist attack and in military conflict is increasing worldwide. Elimination and decontamination of chemical and biological warfare (CBW) agents are immediately required after such an attack. Simulated experiment for elimination of CBW agents by making use of atmospheric-pressure microwave plasma torches is carried out. Elimination of biological warfare agents indicated by the vitrification or burnout of sewage sludge powders and decomposition of toluene gas as a chemical agent stimulant are presented. A detailed characterization for the elimination of the simulant chemicals using Fourier transform infrared and gas chromatography is also presented.

  5. Plasma-chemical simulation of negative corona near the inception voltage

    Science.gov (United States)

    Pontiga, Francisco; Duran-Olivencia, Francisco J.; Castellanos, Antonio

    2013-09-01

    The spatiotemporal development of Trichel pulses in oxygen between a spherical electrode and a grounded plane has been simulated using a fluid approximation that incorporates the plasma chemistry of the electrical discharge. Elementary plasma processes, such as ionization, electron attachment, electron detachment, recombination between ions and chemical reactions between neutral species, are all included in a chemical model consisting of 55 reactions between 8 different species (electrons, O2+,O2-,O3-,O-, O2, O, O3). Secondary emission at the cathode by the impact of positive ions and photons is also considered. The spatial distribution of species is computed in three dimensions (2D-axysimmetrical) by solving Poisson's equation for the electric field and the continuity equations for the species, with the inclusion of the chemical gain/loss rate due to the particle interaction. The results of the simulation reveal the interplay between the different negative ions during the development of every Trichel pulse, and the rate of production of atomic oxygen and ozone by the corona discharge. This work was supported by the Consejeria de Innovacion, Ciencia y Empresa (Junta de Andalucia) and by the Ministerio de Ciencia e Innovacion, Spain, within the European Regional Development Fund contracts FQM-4983 and FIS2011-25161.

  6. Analysis of the Precursors, Simulants and Degradation Products of Chemical Warfare Agents.

    Science.gov (United States)

    Witkiewicz, Zygfryd; Neffe, Slawomir; Sliwka, Ewa; Quagliano, Javier

    2018-09-03

    Recent advances in analysis of precursors, simulants and degradation products of chemical warfare agents (CWA) are reviewed. Fast and reliable analysis of precursors, simulants and CWA degradation products is extremely important at a time, when more and more terrorist groups and radical non-state organizations use or plan to use chemical weapons to achieve their own psychological, political and military goals. The review covers the open source literature analysis after the time, when the chemical weapons convention had come into force (1997). The authors stated that during last 15 years increased number of laboratories are focused not only on trace analysis of CWA (mostly nerve and blister agents) in environmental and biological samples, but the growing number of research are devoted to instrumental analysis of precursors and degradation products of these substances. The identification of low-level concentration of CWA degradation products is often more important and difficult than the original CWA, because of lower level of concentration and a very large number of compounds present in environmental and biological samples. Many of them are hydrolysis products and are present in samples in the ionic form. For this reason, two or three instrumental methods are used to perform a reliable analysis of these substances.

  7. Spatial and Temporal Flood Risk Assessment for Decision Making Approach

    Science.gov (United States)

    Azizat, Nazirah; Omar, Wan-Mohd-Sabki Wan

    2018-03-01

    Heavy rainfall, adversely impacting inundation areas, depends on the magnitude of the flood. Significantly, location of settlements, infrastructure and facilities in floodplains result in many regions facing flooding risks. A problem faced by the decision maker in an assessment of flood vulnerability and evaluation of adaptation measures is recurrent flooding in the same areas. Identification of recurrent flooding areas and frequency of floods should be priorities for flood risk management. However, spatial and temporal variability become major factors of uncertainty in flood risk management. Therefore, dynamic and spatial characteristics of these changes in flood impact assessment are important in making decisions about the future of infrastructure development and community life. System dynamics (SD) simulation and hydrodynamic modelling are presented as tools for modelling the dynamic characteristics of flood risk and spatial variability. This paper discusses the integration between spatial and temporal information that is required by the decision maker for the identification of multi-criteria decision problems involving multiple stakeholders.

  8. Tutorial Review: Simulation of Oscillating Chemical Reactions Using Microsoft Excel Macros

    Directory of Open Access Journals (Sweden)

    Abdolhossein Naseri

    2016-12-01

    Full Text Available Oscillating reactions are one of the most interesting topics in chemistry and analytical chemistry. Fluctuations in concentrations of one the reacting species (usually a reaction intermediate create an oscillating chemical reaction. In oscillating systems, the reaction is far from thermodynamic equilibrium. In these systems, at least one autocatalytic step is required. Developing an instinctive feeling for how oscillating reactions work will be invaluable to future generations of chemists. Some software programs have been released for simulating oscillating systems; however, the algorithm details of such software are not transparent to chemists. In contrast, function of spreadsheet tools, like Microsoft Excel, is well understood, and the software is nearly universally available. In this work, the simulation and visualization of different oscillating systems are performed using Microsoft excel. The simple repetitive solving of the ordinary differential equation of an autocatalytic reaction (a spreadsheet row followed by time, easily automated by a subroutine (a “Macro” in Excel, readily simulates an oscillating reaction. This permits the simulation of some oscillating systems such asBelousov-Zhabotinsky. The versatility of an easily understandable computational platform further enables the simulation of the effects of linear and nonlinear parameters such as concentrations of reactants and catalyst, and kinetic constants. These parameters are readily changed to examine their effects.

  9. On the potential for CO2 mineral storage in continental flood basalts – PHREEQC batch- and 1D diffusion–reaction simulations

    Directory of Open Access Journals (Sweden)

    Van Pham Thi

    2012-06-01

    Full Text Available Abstract Continental flood basalts (CFB are considered as potential CO2 storage sites because of their high reactivity and abundant divalent metal ions that can potentially trap carbon for geological timescales. Moreover, laterally extensive CFB are found in many place in the world within reasonable distances from major CO2 point emission sources. Based on the mineral and glass composition of the Columbia River Basalt (CRB we estimated the potential of CFB to store CO2 in secondary carbonates. We simulated the system using kinetic dependent dissolution of primary basalt-minerals (pyroxene, feldspar and glass and the local equilibrium assumption for secondary phases (weathering products. The simulations were divided into closed-system batch simulations at a constant CO2 pressure of 100 bar with sensitivity studies of temperature and reactive surface area, an evaluation of the reactivity of H2O in scCO2, and finally 1D reactive diffusion simulations giving reactivity at CO2 pressures varying from 0 to 100 bar. Although the uncertainty in reactive surface area and corresponding reaction rates are large, we have estimated the potential for CO2 mineral storage and identified factors that control the maximum extent of carbonation. The simulations showed that formation of carbonates from basalt at 40 C may be limited to the formation of siderite and possibly FeMg carbonates. Calcium was largely consumed by zeolite and oxide instead of forming carbonates. At higher temperatures (60 – 100 C, magnesite is suggested to form together with siderite and ankerite. The maximum potential of CO2 stored as solid carbonates, if CO2 is supplied to the reactions unlimited, is shown to depend on the availability of pore space as the hydration and carbonation reactions increase the solid volume and clog the pore space. For systems such as in the scCO2 phase with limited amount of water, the total carbonation potential is limited by the amount of water present

  10. Simulation of extreme ground water flow in the fractal crack structure of Earth's crust - impact on catastrophic floods

    Science.gov (United States)

    Bukharov, Dmitriy; Aleksey, Kucherik; Tatyana, Trifonova

    2014-05-01

    Recently, the contribution of groundwater in catastrophic floods is the question under discussion [1,2]. The principal problem in such an approach - to analyze the transportation ways for groundwater in dynamics, and especially - the reasons of exit it on land surface. The crackness, being a characteristic property for all rocks, should be associated with the process in respect of unified dynamic system as a river water basin is, taking into account fundamental phenomena of the 3D-crack network development/modification (up to faults) as a transport groundwater system [3]. 2. In the system of fractal cracks (connected with the main channel for groundwater) the formation of extreme flow is possible, i.e. a devastating case occurs by instantaneous flash mechanism. The development of such a process is related to two factors. First, within the main channel of propagation of the groundwater when a motion is turbulent. In accordance with the theory of Kolmogorov [4], we assume that such a turbulence is isotropic. The fact means that both velocity and pressure fields in the water flow have pulsations related to the non-linear energy transfer between the vortices. This approach allows us to determine both that a maximum possible size of the vortices defined by characteristic dimensions of the underground channel and another - a minimum size of their due to process of dissipation. Energy transfer in the eddies formed near a border, is a complex nonlinear process, which we described by using a modernized Prandtl semi-empirical model [5]. Second, the mechanism of groundwater propagation in the system of cracks extending from the main underground channel is described in the frames of the fractal geometry methods [6]. The approach allows to determine the degree of similarity in the crack system, i.e. the ratio of mean diameters and lengths of cracks/faults for each step of decomposition. The fact results in integrated quantitative characteristics of 3D-network in all, by fractal

  11. Alternative Chemical Cleaning Methods for High Level Waste Tanks: Simulant Studies

    Energy Technology Data Exchange (ETDEWEB)

    Rudisill, T. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); King, W. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Hay, M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Jones, D. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-11-19

    Solubility testing with simulated High Level Waste tank heel solids has been conducted in order to evaluate two alternative chemical cleaning technologies for the dissolution of sludge residuals remaining in the tanks after the exhaustion of mechanical cleaning and sludge washing efforts. Tests were conducted with non-radioactive pure phase metal reagents, binary mixtures of reagents, and a Savannah River Site PUREX heel simulant to determine the effectiveness of an optimized, dilute oxalic/nitric acid cleaning reagent and pure, dilute nitric acid toward dissolving the bulk non-radioactive waste components. A focus of this testing was on minimization of oxalic acid additions during tank cleaning. For comparison purposes, separate samples were also contacted with pure, concentrated oxalic acid which is the current baseline chemical cleaning reagent. In a separate study, solubility tests were conducted with radioactive tank heel simulants using acidic and caustic permanganate-based methods focused on the “targeted” dissolution of actinide species known to be drivers for Savannah River Site tank closure Performance Assessments. Permanganate-based cleaning methods were evaluated prior to and after oxalic acid contact.

  12. Automatic differentiation tools in the dynamic simulation of chemical engineering processes

    Directory of Open Access Journals (Sweden)

    Castro M.C.

    2000-01-01

    Full Text Available Automatic Differentiation is a relatively recent technique developed for the differentiation of functions applicable directly to the source code to compute the function written in standard programming languages. That technique permits the automatization of the differentiation step, crucial for dynamic simulation and optimization of processes. The values for the derivatives obtained with AD are exact (to roundoff. The theoretical exactness of the AD comes from the fact that it uses the same rules of differentiation as in differential calculus, but these rules are applied to an algorithmic specification of the function rather than to a formula. The main purpose of this contribution is to discuss the impact of Automatic Differentiation in the field of dynamic simulation of chemical engineering processes. The influence of the differentiation technique on the behavior of the integration code, the performance of the generated code and the incorporation of AD tools in consistent initialization tools are discussed from the viewpoint of dynamic simulation of typical models in chemical engineering.

  13. Changes in chemical permeation of disposable latex, nitrile, and vinyl gloves exposed to simulated movement.

    Science.gov (United States)

    Phalen, Robert N; Le, Thi; Wong, Weng Kee

    2014-01-01

    Glove movement can affect chemical permeation of organic compounds through polymer glove products. However, conflicting reports make it difficult to compare the effects of movement on chemical permeation through commonly available glove types. The aim of this study was to evaluate the effect of movement on chemical permeation of an organic solvent through disposable latex, nitrile, and vinyl gloves. Simulated whole-glove permeation testing was conducted using ethyl alcohol and a previously designed permeation test system. With exposure to movement, a significant decrease (p ≤ 0.001) in breakthrough time (BT) was observed for the latex (-23%) and nitrile gloves (-31%). With exposure to movement, only the nitrile glove exhibited a significant increase (p ≤ 0.001) in steady-state permeation rate (+47%) and cumulative permeation at 30 min (+111%). Even though the nitrile glove provided optimum chemical resistance against ethyl alcohol, it was most affected by movement. With exposure to movement, the latex glove was an equivalent option for overall worker protection, because it was less affected by movement and the permeation rate was lower than that of the nitrile glove. In contrast, the vinyl glove was the least affected by movement, but did not provide adequate chemical resistance to ethyl alcohol in comparison with the nitrile and latex gloves. Glove selection should take movement and polymer type into account. Some glove polymer types are less affected by movement, most notably the latex glove in this test. With nitrile gloves, at least a factor of three should be used when attempting to assign a protection factor when repetitive hand motions are anticipated. Ultimately, the latex gloves outperformed nitrile and vinyl in these tests, which evaluated the effect of movement on chemical permeation. Future research should aim to resolve some of the observed discrepancies in test results with latex and vinyl gloves.

  14. The Numerical Simulation of Coupling Behavior of Soil with Chemical Pollutant Effects

    Science.gov (United States)

    Liu, Z. J.; Li, X. K.; Tang, L. Q.

    2010-05-01

    The coupling behavior of clay plays a role in the integrity of clay barriers used in landfills. The clay barriers are subjected to mechanical and thermal effects coupled with hydraulic behavior, also, if the leachates become in contact with the clay liner, chemical effects may lead to some drastic changes in the properties of the clay. A numerical method to simulate the coupling behavior of soil with chemical pollutant effects is presented. Within the framework of Gens-Alonso model describing the constitutive behavior of unsaturated clay presented in reference[1], basing on the work of Wu[2] and Hueckel[3], a constitutive model describing the chemo-thermo-hydro-mechanical(CTHM) coupling behavior of clays in contact with a single organic contaminant is presented. The thermical softening and chemical softening is considered in the presented model. The strain arising in the material due to chemical and thermical effects can be decomposed into two parts: elastic expansion and plastic compaction. The chemical effects are described in terms of the mass concentration of the contaminant. The increases in temperature and contaminant concentration cause decreases of the pre-consolidation pressure and the cohesion. The mechanisms are called thermical softening and chemical softening. The presented coupled CTHM constitutive model has been integrated into the coupled thermo-hydro-mechanical mathematical model including contaminant transport in porous media. To solve the equilibrium equations, the grogram of finite element methods is developed with a stagger algorithm. The mechanisms taking place due to the coupling behaviour of the clay with a single contaminant solute are analysed with the presented numerical method.

  15. Floodplain sediments of the 2002 catastrophic flood at the Vltava (Moldau) River and its tributaries: mineralogy, chemical composition, and post-sedimentary evolution

    Czech Academy of Sciences Publication Activity Database

    Navrátil, Tomáš; Rohovec, Jan; Žák, Karel

    2008-01-01

    Roč. 56, č. 2 (2008), s. 399-412 ISSN 0943-0105 R&D Projects: GA AV ČR IAA300130505 Institutional research plan: CEZ:AV0Z30130516 Keywords : Vltava (Moldau) River * Berounka River * floodplain sediments * 2002 catastrophic flood (Czech Republic) Subject RIV: DB - Geology ; Mineralogy Impact factor: 1.026, year: 2008

  16. Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Sean A.; Apra, Edoardo; Govind, Niranjan; Hess, Wayne P.; El-Khoury, Patrick Z.

    2017-02-03

    Recent developments in nanophotonics have paved the way for achieving significant advances in the realm of single molecule chemical detection, imaging, and dynamics. In particular, surface-enhanced Raman scattering (SERS) is a powerful analytical technique that is now routinely used to identify the chemical identity of single molecules. Understanding how nanoscale physical and chemical processes affect single molecule SERS spectra and selection rules is a challenging task, and is still actively debated. Herein, we explore underappreciated chemical phenomena in ultrasensitive SERS. We observe a fluctuating excited electronic state manifold, governed by the conformational dynamics of a molecule (4,4’-dimercaptostilbene, DMS) interacting with a metallic cluster (Ag20). This affects our simulated single molecule SERS spectra; the time trajectories of a molecule interacting with its unique local environment dictates the relative intensities of the observable Raman-active vibrational states. Ab initio molecular dynamics of a model Ag20-DMS system are used to illustrate both concepts in light of recent experimental results.

  17. Numerical Simulations as Tool to Predict Chemical and Radiological Hazardous Diffusion in Case of Nonconventional Events

    Directory of Open Access Journals (Sweden)

    J.-F. Ciparisse

    2016-01-01

    Full Text Available CFD (Computational Fluid Dynamics simulations are widely used nowadays to predict the behaviour of fluids in pure research and in industrial applications. This approach makes it possible to get quantitatively meaningful results, often in good agreement with the experimental ones. The aim of this paper is to show how CFD calculations can help to understand the time evolution of two possible CBRNe (Chemical-Biological-Radiological-Nuclear-explosive events: (1 hazardous dust mobilization due to the interaction between a jet of air and a metallic powder in case of a LOVA (Loss Of Vacuum Accidents that is one of the possible accidents that can occur in experimental nuclear fusion plants; (2 toxic gas release in atmosphere. The scenario analysed in the paper has consequences similar to those expected in case of a release of dangerous substances (chemical or radioactive in enclosed or open environment during nonconventional events (like accidents or man-made or natural disasters.

  18. Adaptive Finite Element Method Assisted by Stochastic Simulation of Chemical Systems

    KAUST Repository

    Cotter, Simon L.; Vejchodský , Tomá š; Erban, Radek

    2013-01-01

    Stochastic models of chemical systems are often analyzed by solving the corresponding Fokker-Planck equation, which is a drift-diffusion partial differential equation for the probability distribution function. Efficient numerical solution of the Fokker-Planck equation requires adaptive mesh refinements. In this paper, we present a mesh refinement approach which makes use of a stochastic simulation of the underlying chemical system. By observing the stochastic trajectory for a relatively short amount of time, the areas of the state space with nonnegligible probability density are identified. By refining the finite element mesh in these areas, and coarsening elsewhere, a suitable mesh is constructed and used for the computation of the stationary probability density. Numerical examples demonstrate that the presented method is competitive with existing a posteriori methods. © 2013 Society for Industrial and Applied Mathematics.

  19. Pushing the frontiers of first-principles based computer simulations of chemical and biological systems.

    Science.gov (United States)

    Brunk, Elizabeth; Ashari, Negar; Athri, Prashanth; Campomanes, Pablo; de Carvalho, F Franco; Curchod, Basile F E; Diamantis, Polydefkis; Doemer, Manuel; Garrec, Julian; Laktionov, Andrey; Micciarelli, Marco; Neri, Marilisa; Palermo, Giulia; Penfold, Thomas J; Vanni, Stefano; Tavernelli, Ivano; Rothlisberger, Ursula

    2011-01-01

    The Laboratory of Computational Chemistry and Biochemistry is active in the development and application of first-principles based simulations of complex chemical and biochemical phenomena. Here, we review some of our recent efforts in extending these methods to larger systems, longer time scales and increased accuracies. Their versatility is illustrated with a diverse range of applications, ranging from the determination of the gas phase structure of the cyclic decapeptide gramicidin S, to the study of G protein coupled receptors, the interaction of transition metal based anti-cancer agents with protein targets, the mechanism of action of DNA repair enzymes, the role of metal ions in neurodegenerative diseases and the computational design of dye-sensitized solar cells. Many of these projects are done in collaboration with experimental groups from the Institute of Chemical Sciences and Engineering (ISIC) at the EPFL.

  20. HTTK R Package v1.5 - Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability

    Data.gov (United States)

    U.S. Environmental Protection Agency — httk: High-Throughput Toxicokinetics Functions and data tables for simulation and statistical analysis of chemical toxicokinetics ("TK") using data obtained from...

  1. Production of lightning NOx and its vertical distribution calculated from three-dimensional cloud-scale chemical transport model simulations

    KAUST Repository

    Ott, Lesley E.; Pickering, Kenneth E.; Stenchikov, Georgiy L.; Allen, Dale J.; DeCaria, Alex J.; Ridley, Brian; Lin, Ruei-Fong; Lang, Stephen; Tao, Wei-Kuo

    2010-01-01

    A three-dimensional (3-D) cloud-scale chemical transport model that includes a parameterized source of lightning NOx on the basis of observed flash rates has been used to simulate six midlatitude and subtropical thunderstorms observed during four

  2. Vadose Zone Fate and Transport Simulation of Chemicals Associated with Coal Seam Gas Extraction

    Science.gov (United States)

    Simunek, J.; Mallants, D.; Jacques, D.; Van Genuchten, M.

    2017-12-01

    The HYDRUS-1D and HYDRUS (2D/3D) computer software packages are widely used finite element models for simulating the one-, and two- or three-dimensional movement of water, heat, and multiple solutes in variably-saturated media, respectively. While the standard HYDRUS models consider only the fate and transport of individual solutes or solutes subject to first-order degradation reactions, several specialized HYDRUS add-on modules can simulate far more complex biogeochemical processes. The objective of this presentation is to provide an overview of the HYDRUS models and their add-on modules, and to demonstrate applications of the software to the subsurface fate and transport of chemicals involved in coal seam gas extraction and water management operations. One application uses the standard HYDRUS model to evaluate the natural soil attenuation potential of hydraulic fracturing chemicals and their transformation products in case of an accidental release. By coupling the processes of retardation, first-order degradation and convective-dispersive transport of the biocide bronopol and its degradation products, we demonstrated how natural attenuation reduces initial concentrations by more than a factor of hundred in the top 5 cm of the vadose zone. A second application uses the UnsatChem module to explore the possible use of coal seam gas produced water for sustainable irrigation. Simulations with different irrigation waters (untreated, amended with surface water, and reverse osmosis treated) provided detailed results regarding chemical indicators of soil and plant health, notably SAR, EC and sodium concentrations. A third application uses the coupled HYDRUS-PHREEQC module to analyze trace metal transport involving cation exchange and surface complexation sorption reactions in the vadose zone leached with coal seam gas produced water following some accidental water release scenario. Results show that the main process responsible for trace metal migration is complexation of

  3. Numerical simulations of heterogeneous chemical reactions coupled to fluid flow in varying thermal fields

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1991-11-01

    A numerical simulator of reactive chemical transport with coupling from precipitation-dissolution reactions to fluid flow, via changes of porosity and permeability, is applied to precipitation-dissolution of quartz and calcite in spatially and temporally variable fields of temperature. Significant effects on fluid flow are found in the quartz-silicic acid system in the presence of persistent, strong gradient of temperature. Transient heat flow in the quartz-silicic acid system and in a calcite-calcium ion-carbonato species system produces vanishingly small effects on fluid flow

  4. 3D simulation of the thermal and chemical plumes using open source software

    International Nuclear Information System (INIS)

    Saenz Temino, J. L.; Lerones Martin, J.; Gonzalez Delgado, J.

    2013-01-01

    The interaction of thermal and chemical plumes in the region of the Irish Sea near the site has been simulated using a finite element model representative of the local hydrodynamic regime, concluding how the method of selected cooling, open cycle, is physically and environmentally feasible. Furthermore, tunnel lengths required for each scenario under discussion have been preliminarily defined, varying in a range from 1800 to 2300 meters for a unit (1 tunnel), 4400-6300 meters of two units (2 tunnels) and 8000 meters to three units (2 tunnels), depending on the chosen technology.

  5. Breaking up of pure and simulated 'burnt' mixed oxide fuel by chemical interaction with oxidized sodium

    International Nuclear Information System (INIS)

    Besnard, R.; Chaudat, J.P.

    1983-01-01

    A large experimental program have permitted to investigate the behaviour of mixed oxide fuel coming in contact with hot oxidized sodium. The kinetic of the reaction, the size and the chemical nature of the particules after interaction have been studied. The main part of experiments have been performed using mixed oxide fuel non irradiated at first and with simulated fission products afterwards. Complementary informations have been obtained with UO 2 fuel pellets. After description of the experimental devices, the results are discussed and the importance of the main parameters, like temperature and fission products effect, are pointed out. (orig.)

  6. Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code

    Directory of Open Access Journals (Sweden)

    Juan P. Marcolongo

    2018-03-01

    Full Text Available In this work we present the current advances in the development and the applications of LIO, a lab-made code designed for density functional theory calculations in graphical processing units (GPU, that can be coupled with different classical molecular dynamics engines. This code has been thoroughly optimized to perform efficient molecular dynamics simulations at the QM/MM DFT level, allowing for an exhaustive sampling of the configurational space. Selected examples are presented for the description of chemical reactivity in terms of free energy profiles, and also for the computation of optical properties, such as vibrational and electronic spectra in solvent and protein environments.

  7. Chemical reactivity and spectroscopy explored from QM/MM molecular dynamics simulations using the LIO code

    Science.gov (United States)

    Marcolongo, Juan P.; Zeida, Ari; Semelak, Jonathan A.; Foglia, Nicolás O.; Morzan, Uriel N.; Estrin, Dario A.; González Lebrero, Mariano C.; Scherlis, Damián A.

    2018-03-01

    In this work we present the current advances in the development and the applications of LIO, a lab-made code designed for density functional theory calculations in graphical processing units (GPU), that can be coupled with different classical molecular dynamics engines. This code has been thoroughly optimized to perform efficient molecular dynamics simulations at the QM/MM DFT level, allowing for an exhaustive sampling of the configurational space. Selected examples are presented for the description of chemical reactivity in terms of free energy profiles, and also for the computation of optical properties, such as vibrational and electronic spectra in solvent and protein environments.

  8. A computer code simulating multistage chemical exchange column under wide range of operating conditions

    International Nuclear Information System (INIS)

    Yamanishi, Toshihiko; Okuno, Kenji

    1996-09-01

    A computer code has been developed to simulate a multistage CECE(Combined Electrolysis Chemical Exchange) column. The solution of basic equations can be found out by the Newton-Raphson method. The independent variables are the atom fractions of D and T in each stage for the case where H is dominant within the column. These variables are replaced by those of H and T under the condition that D is dominant. Some effective techniques have also been developed to get a set of solutions of the basic equations: a setting procedure of initial values of the independent variables; and a procedure for the convergence of the Newton-Raphson method. The computer code allows us to simulate the column behavior under a wide range of the operating conditions. Even for a severe case, where the dominant species changes along the column height, the code can give a set of solutions of the basic equations. (author)

  9. Chemical composition of waterfall-induced air ions: Spectrometry vs. simulations

    Energy Technology Data Exchange (ETDEWEB)

    Parts, T.-E.; Luts, A. [Tartu Univ. (Estonia). Dept. of Environmental Physics; Laakso, L.; Hirsikko, A.; Groenholm, T.; Kulmala, M. [Helsinki Univ. (Finland). Dept. of Physical Sciences

    2007-07-01

    Our measurements of ion size distributions near a waterfall provided new evidence for a waterfall-induced modification of air ion sizes. The ion size spectrum near a waterfall permanently differs from that in ordinary tropospheric air. In this paper we investigated the near-waterfall air ions chemical nature in detail. We carried out a simulation series of air small negative ion evolution, proposing that falling water, as a new environmental component, increases the concentration of OH{sup -} cluster ions. The produced OH{sup -} ions were employed as an extra input for our ion evolution model. The presence of additional OH{sup -} ions resulted in a decrease of typically model-provided NO{sub 3}{sup -} and/or HSO{sub 4}{sup -} cluster ion concentrations and an increase of the abundance of HCO{sub 3}{sup -} cluster ions. Near the waterfall the latter ions became dominant in our simulations. (orig.)

  10. Flood model for Brazil

    Science.gov (United States)

    Palán, Ladislav; Punčochář, Petr

    2017-04-01

    Looking on the impact of flooding from the World-wide perspective, in last 50 years flooding has caused over 460,000 fatalities and caused serious material damage. Combining economic loss from ten costliest flood events (from the same period) returns a loss (in the present value) exceeding 300bn USD. Locally, in Brazil, flood is the most damaging natural peril with alarming increase of events frequencies as 5 out of the 10 biggest flood losses ever recorded have occurred after 2009. The amount of economic and insured losses particularly caused by various flood types was the key driver of the local probabilistic flood model development. Considering the area of Brazil (being 5th biggest country in the World) and the scattered distribution of insured exposure, a domain covered by the model was limited to the entire state of Sao Paolo and 53 additional regions. The model quantifies losses on approx. 90 % of exposure (for regular property lines) of key insurers. Based on detailed exposure analysis, Impact Forecasting has developed this tool using long term local hydrological data series (Agencia Nacional de Aguas) from riverine gauge stations and digital elevation model (Instituto Brasileiro de Geografia e Estatística). To provide most accurate representation of local hydrological behaviour needed for the nature of probabilistic simulation, a hydrological data processing focused on frequency analyses of seasonal peak flows - done by fitting appropriate extreme value statistical distribution and stochastic event set generation consisting of synthetically derived flood events respecting realistic spatial and frequency patterns visible in entire period of hydrological observation. Data were tested for homogeneity, consistency and for any significant breakpoint occurrence in time series so the entire observation or only its subparts were used for further analysis. The realistic spatial patterns of stochastic events are reproduced through the innovative use of d-vine copula

  11. A higher-order numerical framework for stochastic simulation of chemical reaction systems.

    KAUST Repository

    Székely, Tamás

    2012-07-15

    BACKGROUND: In this paper, we present a framework for improving the accuracy of fixed-step methods for Monte Carlo simulation of discrete stochastic chemical kinetics. Stochasticity is ubiquitous in many areas of cell biology, for example in gene regulation, biochemical cascades and cell-cell interaction. However most discrete stochastic simulation techniques are slow. We apply Richardson extrapolation to the moments of three fixed-step methods, the Euler, midpoint and θ-trapezoidal τ-leap methods, to demonstrate the power of stochastic extrapolation. The extrapolation framework can increase the order of convergence of any fixed-step discrete stochastic solver and is very easy to implement; the only condition for its use is knowledge of the appropriate terms of the global error expansion of the solver in terms of its stepsize. In practical terms, a higher-order method with a larger stepsize can achieve the same level of accuracy as a lower-order method with a smaller one, potentially reducing the computational time of the system. RESULTS: By obtaining a global error expansion for a general weak first-order method, we prove that extrapolation can increase the weak order of convergence for the moments of the Euler and the midpoint τ-leap methods, from one to two. This is supported by numerical simulations of several chemical systems of biological importance using the Euler, midpoint and θ-trapezoidal τ-leap methods. In almost all cases, extrapolation results in an improvement of accuracy. As in the case of ordinary and stochastic differential equations, extrapolation can be repeated to obtain even higher-order approximations. CONCLUSIONS: Extrapolation is a general framework for increasing the order of accuracy of any fixed-step stochastic solver. This enables the simulation of complicated systems in less time, allowing for more realistic biochemical problems to be solved.

  12. Simulation of the evolution of fused silica's surface defect during wet chemical etching

    Science.gov (United States)

    Liu, Taixiang; Yang, Ke; Li, Heyang; Yan, Lianghong; Yuan, Xiaodong; Yan, Hongwei

    2017-08-01

    Large high-power-laser facility is the basis for achieving inertial confinement fusion, one of whose missions is to make fusion energy usable in the near future. In the facility, fused silica optics plays an irreplaceable role to conduct extremely high-intensity laser to fusion capsule. But the surface defect of fused silica is a major obstacle limiting the output power of the large laser facility and likely resulting in the failure of ignition. To mitigate, or event to remove the surface defect, wet chemical etching has been developed as a practical way. However, how the surface defect evolves during wet chemical etching is still not clearly known so far. To address this problem, in this work, the three-dimensional model of surface defect is built and finite difference time domain (FDTD) method is developed to simulate the evolution of surface defect during etching. From the simulation, it is found that the surface defect will get smooth and result in the improvement of surface quality of fused silica after etching. Comparatively, surface defects (e.g. micro-crack, scratch, series of pinholes, etc.) of a typical fused silica at different etching time are experimentally measured. It can be seen that the simulation result agrees well with the result of experiment, indicating the FDTD method is valid for investigating the evolution of surface defect during etching. With the finding of FDTD simulation, one can optimize the treatment process of fused silica in practical etching or even to make the initial characterization of surface defect traceable.

  13. Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives

    International Nuclear Information System (INIS)

    Onodera, T; Tsuboi, H; Hatakeyama, N; Endou, A; Miyamoto, A; Miura, R; Takaba, H; Suzuki, A; Kubo, M

    2010-01-01

    Tribology at the atomistic and molecular levels has been theoretically studied by a classical molecular dynamics (MD) method. However, this method inherently cannot simulate the tribochemical reaction dynamics because it does not consider the electrons in nature. Although the first-principles based MD method has recently been used for understanding the chemical reaction dynamics of several molecules in the tribology field, the method cannot simulate the tribochemical reaction dynamics of a large complex system including solid surfaces and interfaces due to its huge computation costs. On the other hand, we have developed a quantum chemical MD tribochemical simulator on the basis of a hybrid tight-binding quantum chemical/classical MD method. In the simulator, the central part of the chemical reaction dynamics is calculated by the tight-binding quantum chemical MD method, and the remaining part is calculated by the classical MD method. Therefore, the developed tribochemical simulator realizes the study on tribochemical reaction dynamics of a large complex system, which cannot be treated by using the conventional classical MD or the first-principles MD methods. In this paper, we review our developed quantum chemical MD tribochemical simulator and its application to the tribochemical reaction dynamics of a few lubricant additives

  14. Defense Waste Processing Facility Simulant Chemical Processing Cell Studies for Sludge Batch 9

    International Nuclear Information System (INIS)

    Smith, Tara E.; Newell, J. David; Woodham, Wesley H.

    2016-01-01

    The Savannah River National Laboratory (SRNL) received a technical task request from Defense Waste Processing Facility (DWPF) and Saltstone Engineering to perform simulant tests to support the qualification of Sludge Batch 9 (SB9) and to develop the flowsheet for SB9 in the DWPF. These efforts pertained to the DWPF Chemical Process Cell (CPC). CPC experiments were performed using SB9 simulant (SB9A) to qualify SB9 for sludge-only and coupled processing using the nitric-formic flowsheet in the DWPF. Two simulant batches were prepared, one representing SB8 Tank 40H and another representing SB9 Tank 51H. The simulant used for SB9 qualification testing was prepared by blending the SB8 Tank 40H and SB9 Tank 51H simulants. The blended simulant is referred to as SB9A. Eleven CPC experiments were run with an acid stoichiometry ranging between 105% and 145% of the Koopman minimum acid equation (KMA), which is equivalent to 109.7% and 151.5% of the Hsu minimum acid factor. Three runs were performed in the 1L laboratory scale setup, whereas the remainder were in the 4L laboratory scale setup. Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) cycles were performed on nine of the eleven. The other two were SRAT cycles only. One coupled flowsheet and one extended run were performed for SRAT and SME processing. Samples of the condensate, sludge, and off-gas were taken to monitor the chemistry of the CPC experiments.

  15. Defense Waste Processing Facility Simulant Chemical Processing Cell Studies for Sludge Batch 9

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Tara E. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Newell, J. David [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Woodham, Wesley H. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-08-10

    The Savannah River National Laboratory (SRNL) received a technical task request from Defense Waste Processing Facility (DWPF) and Saltstone Engineering to perform simulant tests to support the qualification of Sludge Batch 9 (SB9) and to develop the flowsheet for SB9 in the DWPF. These efforts pertained to the DWPF Chemical Process Cell (CPC). CPC experiments were performed using SB9 simulant (SB9A) to qualify SB9 for sludge-only and coupled processing using the nitric-formic flowsheet in the DWPF. Two simulant batches were prepared, one representing SB8 Tank 40H and another representing SB9 Tank 51H. The simulant used for SB9 qualification testing was prepared by blending the SB8 Tank 40H and SB9 Tank 51H simulants. The blended simulant is referred to as SB9A. Eleven CPC experiments were run with an acid stoichiometry ranging between 105% and 145% of the Koopman minimum acid equation (KMA), which is equivalent to 109.7% and 151.5% of the Hsu minimum acid factor. Three runs were performed in the 1L laboratory scale setup, whereas the remainder were in the 4L laboratory scale setup. Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) cycles were performed on nine of the eleven. The other two were SRAT cycles only. One coupled flowsheet and one extended run were performed for SRAT and SME processing. Samples of the condensate, sludge, and off-gas were taken to monitor the chemistry of the CPC experiments.

  16. Physiological Response of Wheat to Chemical Desiccants Used to Simulate Post-Anthesis Drought Stress

    Directory of Open Access Journals (Sweden)

    Nasrein Mohamed Kamal

    2018-04-01

    Full Text Available Post-anthesis drought stress is one of the main constraints on the production of wheat (Triticum aestivum L.. Because field screening for post-anthesis drought tolerance is difficult, effective and validated methods to simulate drought in order to identify sources of tolerance can facilitate screening of breeding materials. Chemical desiccants are widely used to simulate post-anthesis drought stress. We aimed to identify physiological traits that respond to desiccants as they do to drought. We examined the responses of ‘Norin 61’ to six treatments in a greenhouse: irrigated control, drought after anthesis, and 2% or 4% potassium chlorate (KClO3 at anthesis (A or grain filling (GF. We measured δ13C in leaves, aboveground fresh biomass, stomatal conductance, chlorophyll content, harvest index, and grain yield. Both 2% and 4% KClO3 at both A and GF simulated the effect of drought stress. Selection of drought-tolerant genotypes can be aided by chlorophyll content and δ13C measurement of leaves when 2% or 4% KClO3 is used to simulate drought.

  17. Numerical approach for enhanced oil recovery with surfactant flooding

    Directory of Open Access Journals (Sweden)

    Sadegh Keshtkar

    2016-03-01

    Full Text Available The remained oil in the reservoir after conventional water-flooding processes, forms a dispersed phase in the form of oil drops which is trapped by capillary forces and is almost about 70% of the original oil in the place (OOIP. To reduce oil residual saturation in laboratory experiments and field projects, surfactant flooding is effective via decreasing the interfacial tension mobility ratio between oil and water phases. Estimation of the role of design variables, like chemical concentrations, partition coefficient and injection rate in different performance quantities, considering a heterogeneous and multiphase oil reservoir is a critical stage for optimal design. Increasing demand for oil production from water-flooded reservoirs has caused an increasing interest in surfactant-polymer (SP and alkali-surfactant-polymer (ASP. Modeling minimizes the risk of high cost of chemicals by improving our insight of process. In the present paper, a surfactant compositional flood model for a three-component (water, petroleum and surfactant, two phase (aqueous and oleic system is studied. A homogeneous, two-dimensional, isothermal reservoir with no free gas or alkali is assumed. The governing equations are in three categories: the continuity equations for the transport of each component, Darcy's equation for the transport of each phase and other auxiliary equations. The equations are solved by finite-differences using a procedure implicit in pressure and explicit in saturation. The validation of the model is achieved through comparing the modeling results with CMG simulators and Buckley–Leverett theory. The results of modeling showed good agreement with CMG results, and the comparison with Buckley–Leverett theory is explained according to different assumptions. After validation of the model, in order to investigate sensitivity analysis, the effects of system variables (partition coefficient, surface tension, oil viscosity and surface injection

  18. Flooding Capability for River-based Scenarios

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Curtis L. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Prescott, Steven [Idaho National Lab. (INL), Idaho Falls, ID (United States); Ryan, Emerald [Idaho State Univ., Pocatello, ID (United States); Calhoun, Donna [Boise State Univ., ID (United States); Sampath, Ramprasad [Centroid Labs., Los Angeles, CA (United States); Anderson, S. Danielle [Idaho National Lab. (INL), Idaho Falls, ID (United States); Casteneda, Cody [Boise State Univ., ID (United States)

    2015-10-01

    This report describes the initial investigation into modeling and simulation tools for application of riverine flooding representation as part of the Risk-Informed Safety Margin Characterization (RISMC) Pathway external hazards evaluations. The report provides examples of different flooding conditions and scenarios that could impact river and watershed systems. Both 2D and 3D modeling approaches are described.

  19. Pultrusion of a vertical axis wind turbine blade part-I: 3D thermo-chemical process simulation

    NARCIS (Netherlands)

    Baran, Ismet; Tutum, Cem C.; Hattel, Jesper H.; Akkerman, Remko

    2015-01-01

    A novel three dimensional thermo-chemical simulation of the pultrusion process is presented. A simulation is performed for the pultrusion of a NACA0018 blade profile having a curved geometry, as a part of the DeepWind project. The finite element/nodal control volume (FE/NCV) technique is used.

  20. Pultrusion of a vertical axis wind turbine blade part-I: 3D thermo-chemical process simulation

    DEFF Research Database (Denmark)

    Baran, Ismet; Tutum, Cem Celal; Hattel, Jesper Henri

    2015-01-01

    novel three dimensional thermo-chemical simulation of the pultrusion process is presented. A simulation is performed for the pultrusion of a NACA0018 blade profile having a curved geometry, as a part of the DeepWind project. The finite element/nodal control volume (FE/NCV) technique is used. First...

  1. A Novel Approach for Modeling Chemical Reaction in Generalized Fluid System Simulation Program

    Science.gov (United States)

    Sozen, Mehmet; Majumdar, Alok

    2002-01-01

    The Generalized Fluid System Simulation Program (GFSSP) is a computer code developed at NASA Marshall Space Flight Center for analyzing steady state and transient flow rates, pressures, temperatures, and concentrations in a complex flow network. The code, which performs system level simulation, can handle compressible and incompressible flows as well as phase change and mixture thermodynamics. Thermodynamic and thermophysical property programs, GASP, WASP and GASPAK provide the necessary data for fluids such as helium, methane, neon, nitrogen, carbon monoxide, oxygen, argon, carbon dioxide, fluorine, hydrogen, water, a hydrogen, isobutane, butane, deuterium, ethane, ethylene, hydrogen sulfide, krypton, propane, xenon, several refrigerants, nitrogen trifluoride and ammonia. The program which was developed out of need for an easy to use system level simulation tool for complex flow networks, has been used for the following purposes to name a few: Space Shuttle Main Engine (SSME) High Pressure Oxidizer Turbopump Secondary Flow Circuits, Axial Thrust Balance of the Fastrac Engine Turbopump, Pressurized Propellant Feed System for the Propulsion Test Article at Stennis Space Center, X-34 Main Propulsion System, X-33 Reaction Control System and Thermal Protection System, and International Space Station Environmental Control and Life Support System design. There has been an increasing demand for implementing a combustion simulation capability into GFSSP in order to increase its system level simulation capability of a liquid rocket propulsion system starting from the propellant tanks up to the thruster nozzle for spacecraft as well as launch vehicles. The present work was undertaken for addressing this need. The chemical equilibrium equations derived from the second law of thermodynamics and the energy conservation equation derived from the first law of thermodynamics are solved simultaneously by a Newton-Raphson method. The numerical scheme was implemented as a User

  2. Flooding Effect on Earth Walls

    Directory of Open Access Journals (Sweden)

    Meysam Banimahd

    2010-12-01

    Full Text Available Earth building is a sustainable, environmentally friendly and economical method of construction that has been used worldwide for many centuries. For the past three decades, earth has seen a revival as a building material for a modern construction method due to its benefits in terms of low carbon content, low cost and energy involved during construction, as well as the fact that it is a sustainable technology of building. Climate change is influencing precipitation levels and patterns around the world, and as a consequence, flood risk is increasing rapidly. When flooding occurs, earth buildings are exposed to water by submersion, causing an increase in the degree of saturation of the earth structures and therefore a decrease of the suction between particles. This study investigated the effect of cycles of flooding (consecutive events of flooding followed by dry periods on earth walls. A series of characterization tests were carried out to obtain the physical and mechanical properties of the studied earth material. In a second stage, Flooding Simulation Tests (FST were performed to explore the earth walls’ response to repeated flooding events. The results obtained for the tested earth wall/samples with reinforced material (straw reveal hydraulic hysteresis when wall/samples are subject to cycles of wetting and drying.

  3. Flood hazards for nuclear power plants

    International Nuclear Information System (INIS)

    Yen, B.C.

    1988-01-01

    Flooding hazards for nuclear power plants may be caused by various external geophysical events. In this paper the hydrologic hazards from flash floods, river floods and heavy rain at the plant site are considered. Depending on the mode of analysis, two types of hazard evaluation are identified: 1) design hazard which is the probability of flooding over an expected service period, and 2) operational hazard which deals with real-time forecasting of the probability of flooding of an incoming event. Hazard evaluation techniques using flood frequency analysis can only be used for type 1) design hazard. Evaluation techniques using rainfall-runoff simulation or multi-station correlation can be used for both types of hazard prediction. (orig.)

  4. An operational procedure for rapid flood risk assessment in Europe

    Science.gov (United States)

    Dottori, Francesco; Kalas, Milan; Salamon, Peter; Bianchi, Alessandra; Alfieri, Lorenzo; Feyen, Luc

    2017-07-01

    The development of methods for rapid flood mapping and risk assessment is a key step to increase the usefulness of flood early warning systems and is crucial for effective emergency response and flood impact mitigation. Currently, flood early warning systems rarely include real-time components to assess potential impacts generated by forecasted flood events. To overcome this limitation, this study describes the benchmarking of an operational procedure for rapid flood risk assessment based on predictions issued by the European Flood Awareness System (EFAS). Daily streamflow forecasts produced for major European river networks are translated into event-based flood hazard maps using a large map catalogue derived from high-resolution hydrodynamic simulations. Flood hazard maps are then combined with exposure and vulnerability information, and the impacts of the forecasted flood events are evaluated in terms of flood-prone areas, economic damage and affected population, infrastructures and cities.An extensive testing of the operational procedure has been carried out by analysing the catastrophic floods of May 2014 in Bosnia-Herzegovina, Croatia and Serbia. The reliability of the flood mapping methodology is tested against satellite-based and report-based flood extent data, while modelled estimates of economic damage and affected population are compared against ground-based estimations. Finally, we evaluate the skill of risk estimates derived from EFAS flood forecasts with different lead times and combinations of probabilistic forecasts. Results highlight the potential of the real-time operational procedure in helping emergency response and management.

  5. Dual simulation of the massless lattice Schwinger model with topological term and non-zero chemical potential

    Science.gov (United States)

    Göschl, Daniel

    2018-03-01

    We discuss simulation strategies for the massless lattice Schwinger model with a topological term and finite chemical potential. The simulation is done in a dual representation where the complex action problem is solved and the partition function is a sum over fermion loops, fermion dimers and plaquette-occupation numbers. We explore strategies to update the fermion loops coupled to the gauge degrees of freedom and check our results with conventional simulations (without topological term and at zero chemical potential), as well as with exact summation on small volumes. Some physical implications of the results are discussed.

  6. Flood early warning system : Design, implementation and computational modules

    NARCIS (Netherlands)

    Krzhizhanovskaya, V.V.; Shirshov, G.S.; Melnikova, N.B.; Belleman, R.G.; Rusadi, F.I.; Broekhuijsen, B.J.; Gouldby, B.P.; Lhomme, J.; Balis, B.; Bubak, M.; Pyayt, A.L.; Mokhov, I.I.; Ozhigin, A.V.; Lang, B.; Meijer, R.J.

    2011-01-01

    We present a prototype of the flood early warning system (EWS) developed within the UrbanFlood FP7 project. The system monitors sensor networks installed in flood defenses (dikes, dams, embankments, etc.), detects sensor signal abnormalities, calculates dike failure probability, and simulates

  7. Hygrothermal modelling of flooding events within historic buildings

    NARCIS (Netherlands)

    Huijbregts, Z.; Schellen, H.L.; Schijndel, van A.W.M.; Blades, N.

    2014-01-01

    Flooding events pose a high risk to valuable monumental buildings and their interiors. Due to higher river discharges and sea level rise, flooding events may occur more often in future. Hygrothermal building simulation models can be applied to investigate the impact of a flooding event on the

  8. Hygrothermal modelling of flooding events within historic buildings

    NARCIS (Netherlands)

    Huijbregts, Z.; Schijndel, van A.W.M.; Schellen, H.L.; Blades, N.; Mahdavi, A.; Mertens, B.

    2013-01-01

    Flooding events pose a high risk to valuable monumental buildings and their interiors. Due to higher river discharges and sea level rise, flooding events may occur more often in future. Hygrothermal building simulation models can be applied to investigate the impact of a flooding event on the

  9. Assessment of flood mitigation through riparian detention in ...

    Indian Academy of Sciences (India)

    19

    changing climate – a case study. 2. 3. Kwan Tun ... expected to mitigate flood damage in downstream urban areas. In this study ... recognized as the most vulnerable region in respect of natural disasters. In the main ..... An integrated numerical model was developed in this study for flooding simulation to realize. 21 the flood ...

  10. Simulation of uranium transport with variable temperature and oxidation potential: The computer program THCC [Thermo-Hydro-Chemical Coupling

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1986-12-01

    A simulator of reactive chemical transport has been constructed with the capabilities of treating variable temperatures and variable oxidation potentials within a single simulation. Homogeneous and heterogeneous chemical reactions are simulated at temperature-dependent equilibrium, and changes of oxidation states of multivalent elements can be simulated during transport. Chemical mass action relations for formation of complexes in the fluid phase are included explicitly within the partial differential equations of transport, and a special algorithm greatly simplifies treatment of reversible precipitation of solid phases. This approach allows direct solution of the complete set of governing equations for concentrations of all aqueous species and solids affected simultaneously by chemical and physical processes. Results of example simulations of transport, along a temperature gradient, of uranium solution species under conditions of varying pH and oxidation potential and with reversible precipitation of uraninite and coffinite are presented. The examples illustrate how inclusion of variable temperature and oxidation potential in numerical simulators can enhance understanding of the chemical mechanisms affecting migration of multivalent waste elements

  11. Climatic and basin factors affecting the flood frequency curve: PART II – A full sensitivity analysis based on the continuous simulation approach combined with a factorial experimental design

    Directory of Open Access Journals (Sweden)

    M. Franchini

    2000-01-01

    Full Text Available The sensitivity analysis described in Hashemi et al. (2000 is based on one-at-a-time perturbations to the model parameters. This type of analysis cannot highlight the presence of parameter interactions which might indeed affect the characteristics of the flood frequency curve (ffc even more than the individual parameters. For this reason, the effects of the parameters of the rainfall, rainfall runoff models and of the potential evapotranspiration demand on the ffc are investigated here through an analysis of the results obtained from a factorial experimental design, where all the parameters are allowed to vary simultaneously. This latter, more complex, analysis confirms the results obtained in Hashemi et al. (2000 thus making the conclusions drawn there of wider validity and not related strictly to the reference set selected. However, it is shown that two-factor interactions are present not only between different pairs of parameters of an individual model, but also between pairs of parameters of different models, such as rainfall and rainfall-runoff models, thus demonstrating the complex interaction between climate and basin characteristics affecting the ffc and in particular its curvature. Furthermore, the wider range of climatic regime behaviour produced within the factorial experimental design shows that the probability distribution of soil moisture content at the storm arrival time is no longer sufficient to explain the link between the perturbations to the parameters and their effects on the ffc, as was suggested in Hashemi et al. (2000. Other factors have to be considered, such as the probability distribution of the soil moisture capacity, and the rainfall regime, expressed through the annual maximum rainfalls over different durations. Keywords: Monte Carlo simulation; factorial experimental design; analysis of variance (ANOVA

  12. Unstructured mesh adaptivity for urban flooding modelling

    Science.gov (United States)

    Hu, R.; Fang, F.; Salinas, P.; Pain, C. C.

    2018-05-01

    Over the past few decades, urban floods have been gaining more attention due to their increase in frequency. To provide reliable flooding predictions in urban areas, various numerical models have been developed to perform high-resolution flood simulations. However, the use of high-resolution meshes across the whole computational domain causes a high computational burden. In this paper, a 2D control-volume and finite-element flood model using adaptive unstructured mesh technology has been developed. This adaptive unstructured mesh technique enables meshes to be adapted optimally in time and space in response to the evolving flow features, thus providing sufficient mesh resolution where and when it is required. It has the advantage of capturing the details of local flows and wetting and drying front while reducing the computational cost. Complex topographic features are represented accurately during the flooding process. For example, the high-resolution meshes around the buildings and steep regions are placed when the flooding water reaches these regions. In this work a flooding event that happened in 2002 in Glasgow, Scotland, United Kingdom has been simulated to demonstrate the capability of the adaptive unstructured mesh flooding model. The simulations have been performed using both fixed and adaptive unstructured meshes, and then results have been compared with those published 2D and 3D results. The presented method shows that the 2D adaptive mesh model provides accurate results while having a low computational cost.

  13. A Comparison of Predictive Thermo and Water Solvation Property Prediction Tools and Experimental Data for Selected Traditional Chemical Warfare Agents and Simulants II: COSMO RS and COSMOTherm

    Science.gov (United States)

    2017-04-01

    SELECTED TRADITIONAL CHEMICAL WARFARE AGENTS AND SIMULANTS II: COSMO-RS AND COSMOTHERM ECBC-TR-1454 Jerry B. Cabalo RESEARCH AND TECHNOLOGY...Traditional Chemical Warfare Agents and Simulants II: COSMO-RS and COSMOTherm 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER CB10115...in the ADF 2012 suite of programs for the physico- chemical properties of a set of traditional chemical warfare agents and selected simulants. To

  14. FY13 GLYCOLIC-NITRIC ACID FLOWSHEET DEMONSTRATIONS OF THE DWPF CHEMICAL PROCESS CELL WITH SIMULANTS

    Energy Technology Data Exchange (ETDEWEB)

    Lambert, D.; Zamecnik, J.; Best, D.

    2014-03-13

    Savannah River Remediation is evaluating changes to its current Defense Waste Processing Facility flowsheet to replace formic acid with glycolic acid in order to improve processing cycle times and decrease by approximately 100x the production of hydrogen, a potentially flammable gas. Higher throughput is needed in the Chemical Processing Cell since the installation of the bubblers into the melter has increased melt rate. Due to the significant maintenance required for the safety significant gas chromatographs and the potential for production of flammable quantities of hydrogen, eliminating the use of formic acid is highly desirable. Previous testing at the Savannah River National Laboratory has shown that replacing formic acid with glycolic acid allows the reduction and removal of mercury without significant catalytic hydrogen generation. Five back-to-back Sludge Receipt and Adjustment Tank (SRAT) cycles and four back-to-back Slurry Mix Evaporator (SME) cycles were successful in demonstrating the viability of the nitric/glycolic acid flowsheet. The testing was completed in FY13 to determine the impact of process heels (approximately 25% of the material is left behind after transfers). In addition, back-to-back experiments might identify longer-term processing problems. The testing was designed to be prototypic by including sludge simulant, Actinide Removal Product simulant, nitric acid, glycolic acid, and Strip Effluent simulant containing Next Generation Solvent in the SRAT processing and SRAT product simulant, decontamination frit slurry, and process frit slurry in the SME processing. A heel was produced in the first cycle and each subsequent cycle utilized the remaining heel from the previous cycle. Lower SRAT purges were utilized due to the low hydrogen generation. Design basis addition rates and boilup rates were used so the processing time was shorter than current processing rates.

  15. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  16. Monte Carlo simulation of star/linear and star/star blends with chemically identical monomers

    Energy Technology Data Exchange (ETDEWEB)

    Theodorakis, P E [Department of Materials Science and Engineering, University of Ioannina, 45110 Ioannina (Greece); Avgeropoulos, A [Department of Materials Science and Engineering, University of Ioannina, 45110 Ioannina (Greece); Freire, J J [Departamento de Ciencias y Tecnicas FisicoquImicas, Universidad Nacional de Educacion a Distancia, Facultad de Ciencias, Senda del Rey 9, 28040 Madrid (Spain); Kosmas, M [Department of Chemistry, University of Ioannina, 45110 Ioannina (Greece); Vlahos, C [Department of Chemistry, University of Ioannina, 45110 Ioannina (Greece)

    2007-11-21

    The effects of chain size and architectural asymmetry on the miscibility of blends with chemically identical monomers, differing only in their molecular weight and architecture, are studied via Monte Carlo simulation by using the bond fluctuation model. Namely, we consider blends composed of linear/linear, star/linear and star/star chains. We found that linear/linear blends are more miscible than the corresponding star/star mixtures. In star/linear blends, the increase in the volume fraction of the star chains increases the miscibility. For both star/linear and star/star blends, the miscibility decreases with the increase in star functionality. When we increase the molecular weight of linear chains of star/linear mixtures the miscibility decreases. Our findings are compared with recent analytical and experimental results.

  17. Monte Carlo simulation of star/linear and star/star blends with chemically identical monomers

    Science.gov (United States)

    Theodorakis, P. E.; Avgeropoulos, A.; Freire, J. J.; Kosmas, M.; Vlahos, C.

    2007-11-01

    The effects of chain size and architectural asymmetry on the miscibility of blends with chemically identical monomers, differing only in their molecular weight and architecture, are studied via Monte Carlo simulation by using the bond fluctuation model. Namely, we consider blends composed of linear/linear, star/linear and star/star chains. We found that linear/linear blends are more miscible than the corresponding star/star mixtures. In star/linear blends, the increase in the volume fraction of the star chains increases the miscibility. For both star/linear and star/star blends, the miscibility decreases with the increase in star functionality. When we increase the molecular weight of linear chains of star/linear mixtures the miscibility decreases. Our findings are compared with recent analytical and experimental results.

  18. Monte Carlo simulation of star/linear and star/star blends with chemically identical monomers

    International Nuclear Information System (INIS)

    Theodorakis, P E; Avgeropoulos, A; Freire, J J; Kosmas, M; Vlahos, C

    2007-01-01

    The effects of chain size and architectural asymmetry on the miscibility of blends with chemically identical monomers, differing only in their molecular weight and architecture, are studied via Monte Carlo simulation by using the bond fluctuation model. Namely, we consider blends composed of linear/linear, star/linear and star/star chains. We found that linear/linear blends are more miscible than the corresponding star/star mixtures. In star/linear blends, the increase in the volume fraction of the star chains increases the miscibility. For both star/linear and star/star blends, the miscibility decreases with the increase in star functionality. When we increase the molecular weight of linear chains of star/linear mixtures the miscibility decreases. Our findings are compared with recent analytical and experimental results

  19. Simulation and validation of chemical-looping combustion using ASPEN plus

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Ling [Research Center of Fluid Machinery Engineering and Technology, Jiangsu University, Zhenjiang 212013 (China); Department of Mechanical Engineering and Materials Science, Washington University, St. Louis, MO 63130 (United States); Zhang, Zheming; Agarwal, Ramesh K. [Department of Mechanical Engineering and Materials Science, Washington University, St. Louis, MO 63130 (United States)

    2013-07-01

    Laboratory-scale experimental studies have demonstrated that Chemical-Looping Combustion (CLC) is an advanced technology which holds great potential for high-efficiency low-cost carbon capture. The generated syngas in CLC is subsequently oxidized to CO2 and H2O by reaction with an oxygen carrier. In this paper, process-level models of CLC are established in ASPEN Plus code for detailed simulations. The entire CLC process, from the beginning of coal gasification to reduction and oxidation of the oxygen carrier is modeled. The heat content of each major component such as fuel and air reactors and air/flue gas heat exchangers is carefully examined. Large amount of energy is produced in the fuel reactor, but energy needs to be supplied to the air reactor. The overall performance and efficiency of the modeled CLC systems are also evaluated.

  20. Influence of physical and chemical dispersion on the biodegradation of oil under simulated marine conditions

    International Nuclear Information System (INIS)

    Swannell, R. P. J.; Daniel, F.; Croft, B. C.; Engelhardt, M. A.; Wilson, S.; Mitchell, D. J.; Lunel, T.

    1997-01-01

    Dispersion and biodegradation of oil was studied in marine microcosms designed to simulate oil dispersion at sea. Dispersion was studied using both Phase Doppler Particle Analyser and a Chamber Slide technique. In both natural and artificial seawater, oil addition was observed to encourage the growth of hydrocarbon-degrading bacteria in the presence of sufficient nitrogen and phosphorus. Results showed that microorganisms enhanced oil dispersion by colonizing physically-dispersed oil droplets and preventing re-coalescence with the surface slick. The addition of dispersants increased the rate of colonization as well as the number of degraded droplets. These results suggest that stimulation of physical dispersion by chemical means increase the rate of oil biodegradation under natural conditions. 25 refs., 3 tabs., 14 figs

  1. Coupling Chemical Kinetics and Flashes in Reactive, Thermal and Compositional Reservoir Simulation

    DEFF Research Database (Denmark)

    Kristensen, Morten Rode; Gerritsen, Margot G.; Thomsen, Per Grove

    2007-01-01

    of convergence and error test failures by more than 50% compared to direct integration without the new algorithm. To facilitate the algorithmic development we construct a virtual kinetic cell model. We use implicit one-step ESDIRK (Explicit Singly Diagonal Implicit Runge-Kutta) methods for integration...... of the kinetics. The kinetic cell model serves both as a tool for the development and testing of tailored solvers as well as a testbed for studying the interactions between chemical kinetics and phase behavior. A comparison between a Kvalue correlation based approach and a more rigorous equation of state based......Phase changes are known to cause convergence problems for integration of stiff kinetics in thermal and compositional reservoir simulations. We propose an algorithm for detection and location of phase changes based on discrete event system theory. The algorithm provides a robust way for handling...

  2. Molecular dynamics simulation of chemical sputtering of hydrogen atom on layer structured graphite

    International Nuclear Information System (INIS)

    Ito, A.; Wang, Y.; Irle, S.; Morokuma, K.; Nakamura, H.

    2008-10-01

    Chemical sputtering of hydrogen atom on graphite was simulated using molecular dynamics. Especially, the layer structure of the graphite was maintained by interlayer intermolecular interaction. Three kinds of graphite surfaces, flat (0 0 0 1) surface, armchair (1 1 2-bar 0) surface and zigzag (1 0 1-bar 0) surface, are dealt with as targets of hydrogen atom bombardment. In the case of the flat surface, graphene layers were peeled off one by one and yielded molecules had chain structures. On the other hand, C 2 H 2 and H 2 are dominant yielded molecules on the armchair and zigzag surfaces, respectively. In addition, the interaction of a single hydrogen isotope on a single graphene is investigated. Adsorption, reflection and penetration rates are obtained as functions of incident energy and explain hydrogen retention on layered graphite. (author)

  3. Supporting interpretation of dynamic simulation. Application to chemical kinetic models; Aides a l`interpretation de simulations dynamiques. Application aux modeles de cinetique chimique

    Energy Technology Data Exchange (ETDEWEB)

    Braunschweig, B

    1998-04-22

    Numerous scientific and technical domains make constant use of dynamical simulations. Such simulators are put in the hands of a growing number of users. This phenomenon is due both to the extraordinary increase in computing performance, and to better graphical user interfaces which make simulation models easy to operate. But simulators are still computer programs which produce series of numbers from other series of numbers, even if they are displayed graphically. This thesis presents new interaction paradigms between a dynamical simulator and its user. The simulator produces a self-made interpretation of its results, thanks to a dedicated representation of its domain with objects. It shows dominant cyclic mechanisms identified by their instantaneous loop gain estimates, it uses a notion of episodes for splitting the simulation into homogeneous time intervals, and completes this by animations which rely on the graphical structure of the system. These new approaches are demonstrated with examples from chemical kinetics, because of the energic and exemplary characteristics of the encountered behaviors. They are implemented in the Spike software, Software Platform for Interactive Chemical Kinetics Experiments. Similar concepts are also shown in two other domains: interpretation of seismic wave propagation, and simulation of large projects. (author) 95 refs.

  4. Fast stochastic simulation of biochemical reaction systems by alternative formulations of the chemical Langevin equation

    KAUST Repository

    Mélykúti, Bence

    2010-01-01

    The Chemical Langevin Equation (CLE), which is a stochastic differential equation driven by a multidimensional Wiener process, acts as a bridge between the discrete stochastic simulation algorithm and the deterministic reaction rate equation when simulating (bio)chemical kinetics. The CLE model is valid in the regime where molecular populations are abundant enough to assume their concentrations change continuously, but stochastic fluctuations still play a major role. The contribution of this work is that we observe and explore that the CLE is not a single equation, but a parametric family of equations, all of which give the same finite-dimensional distribution of the variables. On the theoretical side, we prove that as many Wiener processes are sufficient to formulate the CLE as there are independent variables in the equation, which is just the rank of the stoichiometric matrix. On the practical side, we show that in the case where there are m1 pairs of reversible reactions and m2 irreversible reactions there is another, simple formulation of the CLE with only m1 + m2 Wiener processes, whereas the standard approach uses 2 m1 + m2. We demonstrate that there are considerable computational savings when using this latter formulation. Such transformations of the CLE do not cause a loss of accuracy and are therefore distinct from model reduction techniques. We illustrate our findings by considering alternative formulations of the CLE for a human ether a-go-go related gene ion channel model and the Goldbeter-Koshland switch. © 2010 American Institute of Physics.

  5. Experimental outgassing of toxic chemicals to simulate the characteristics of hazards tainting globally shipped products.

    Directory of Open Access Journals (Sweden)

    Lygia Therese Budnik

    Full Text Available Ambient monitoring analyses may identify potential new public health hazards such as residual levels of fumigants and industrial chemicals off gassing from products and goods shipped globally. We analyzed container air with gas chromatography coupled to mass spectrometry (TD-2D-GC-MS/FPD and assessed whether the concentration of the volatiles benzene and 1,2-dichloroethane exceeded recommended exposure limits (REL. Products were taken from transport containers and analyzed for outgassing of volatiles. Furthermore, experimental outgassing was performed on packaging materials and textiles, to simulate the hazards tainting from globally shipped goods. The mean amounts of benzene in analyzed container air were 698-fold higher, and those of ethylene dichloride were 4.5-fold higher than the corresponding REL. More than 90% of all containers struck with toluene residues higher than its REL. For 1,2-dichloroethane 53% of containers, transporting shoes exceeded the REL. In standardized experimental fumigation of various products, outgassing of 1,2-dichloroethane under controlled laboratory conditions took up to several months. Globally produced transported products tainted with toxic industrial chemicals may contribute to the mixture of volatiles in indoor air as they are likely to emit for a long period. These results need to be taken into account for further evaluation of safety standards applying to workers and consumers.

  6. Chemical durability of borosilicate glasses containing simulated high-level nuclear wastes, 1

    International Nuclear Information System (INIS)

    Hara, Shigeo; Terai, Ryohei; Yamanaka, Hiroshi

    1983-01-01

    The Soxhlet-type leaching test apparatus has been developed to evaluate the chemical durability of some borosilicate glasses containing simulated High-Level nuclear Wastes, HLW. After the leaching over the temperature range of 50 0 -95 0 C, the weight loss of specimens with time was determined on both the samples of blocks and grains, and various components dissolved into water were analyzed by atomic absorption and colorimetry technique. It was found that Soxhlet-type test method was more useful than JIS test method, because the specimens in Soxhlet type apparatus were forced always to react with pure water and the mechanism of leaching could be evaluate accurately. The chemical durability of commercial glasses decreases generally with increasing of alkali contents in glasses. In the case of these borosilicate glasses containing HLW, however, the leachability was apparently independent on the alkali contents because of the complexity of these glass compositions. The variation of leaching rate with temperature suggests that dissolution mechanism changes with temperature. (author)

  7. Experimental and numerical simulation of the acquisition of chemical remanent magnetization and the Thellier procedure

    Science.gov (United States)

    Shcherbakov, V. P.; Sycheva, N. K.; Gribov, S. K.

    2017-09-01

    The results of the Thellier-Coe experiments on paleointensity determination on the samples which contain chemical remanent magnetization (CRM) created by thermal annealing of titanomagnetites are reported. The results of the experiments are compared with the theoretical notions. For this purpose, Monte Carlo simulation of the process of CRM acquisition in the system of single-domain interacting particles was carried out; the paleointensity determination method based on the Thellier-Coe procedure was modeled; and the degree of paleointensity underestimation was quantitatively estimated based on the experimental data and on the numerical results. Both the experimental investigations and computer modeling suggest the following main conclusion: all the Arai-Nagata diagrams for CRM in the high-temperature area (in some cases up to the Curie temperature T c) contain a relatively long quasi-linear interval on which it is possible to estimate the slope coefficient k and, therefore, the paleointensity. Hence, if chemical magnetization (or remagnetization) took place in the course of the magnetomineralogical transformations of titanomagnetite- bearing igneous rocks during long-lasting cooling or during repeated heatings, it can lead to incorrect results in determining the intensity of the geomagnetic field in the geological past.

  8. Numerical simulation of Trichel pulses of negative DC corona discharge based on a plasma chemical model

    Science.gov (United States)

    Chen, Xiaoyue; Lan, Lei; Lu, Hailiang; Wang, Yu; Wen, Xishan; Du, Xinyu; He, Wangling

    2017-10-01

    A numerical simulation method of negative direct current (DC) corona discharge based on a plasma chemical model is presented, and a coaxial cylindrical gap is adopted. There were 15 particle species and 61 kinds of collision reactions electrons involved, and 22 kinds of reactions between ions are considered in plasma chemical reactions. Based on this method, continuous Trichel pulses are calculated on about a 100 us timescale, and microcosmic physicochemical process of negative DC corona discharge in three different periods is discussed. The obtained results show that the amplitude of Trichel pulses is between 1-2 mA, and that pulse interval is in the order of 10-5 s. The positive ions produced by avalanche ionization enhanced the electric field near the cathode at the beginning of the pulse, then disappeared from the surface of cathode. The electric field decreases and the pulse ceases to develop. The negative ions produced by attachment slowly move away from the cathode, and the electric field increases gradually until the next pulse begins to develop. The positive and negative ions with the highest density during the corona discharge process are O4+ and O3- , respectively.

  9. Flooding and Schools

    Science.gov (United States)

    National Clearinghouse for Educational Facilities, 2011

    2011-01-01

    According to the Federal Emergency Management Agency, flooding is the nation's most common natural disaster. Some floods develop slowly during an extended period of rain or in a warming trend following a heavy snow. Flash floods can occur quickly, without any visible sign of rain. Catastrophic floods are associated with burst dams and levees,…

  10. Accident simulation in a chemical process facility at the Savannah River Site

    International Nuclear Information System (INIS)

    Hope, E.P.

    1993-01-01

    The US Department of Energy requires Westinghouse Savannah River Company to safely operate the chemical separations facilities at the Savannah River Site (SRS). As part of the safety analysis program, simulation of a proposed frame waste recovery (FWR) system is needed to determine the possible accident consequences that may affect public safety. This paper details the simulation process for the proposed frame waste recovery process and describes the analytical tools used in order to make estimates of accident consequences. Since the process in question has been operated, historical data and statistics about its operation are available. Software tools have been developed to allow analysis of the frame waste recovery system, including the generation of system specific dose conversion factors for a number of unique situations. Accident scenarios involving spilled liquid material are analyzed and account for the specific floor geometry of the facility. Confinement and filtration systems are considered. Analysis of source terms is a limiting factor which affects the entire evaluation process. In the past, facility source terms were generally constant with occasional variations from established patterns. As new site missions unfold, significant variations in source terms can be expected. The impact of these variations on the safety analysis is discussed

  11. Application of transient burning rate model of solid propellant in electrothermal-chemical launch simulation

    Directory of Open Access Journals (Sweden)

    Yan-jie Ni

    2016-04-01

    Full Text Available A 30 mm electrothermal-chemical (ETC gun experimental system is employed to research the burning rate characteristics of 4/7 high-nitrogen solid propellant. Enhanced gas generation rates (EGGR of propellants during and after electrical discharges are verified in the experiments. A modified 0D internal ballistic model is established to simulate the ETC launch. According to the measured pressure and electrical parameters, a transient burning rate law including the influence of EGGR coefficient by electric power and pressure gradient (dp/dt is added into the model. The EGGR coefficient of 4/7 high-nitrogen solid propellant is equal to 0.005 MW−1. Both simulated breech pressure and projectile muzzle velocity accord with the experimental results well. Compared with Woodley's modified burning rate law, the breech pressure curves acquired by the transient burning rate law are more consistent with test results. Based on the parameters calculated in the model, the relationship among propellant burning rate, pressure gradient (dp/dt and electric power is analyzed. Depending on the transient burning rate law and experimental data, the burning of solid propellant under the condition of plasma is described more accurately.

  12. Computer Simulation of Temperature Parameter for Diamond Formation by Using Hot-Filament Chemical Vapor Deposition

    Directory of Open Access Journals (Sweden)

    Chang Weon Song

    2017-12-01

    Full Text Available To optimize the deposition parameters of diamond films, the temperature, pressure, and distance between the filament and the susceptor need to be considered. However, it is difficult to precisely measure and predict the filament and susceptor temperature in relation to the applied power in a hot filament chemical vapor deposition (HF-CVD system. In this study, the temperature distribution inside the system was numerically calculated for the applied powers of 12, 14, 16, and 18 kW. The applied power needed to achieve the appropriate temperature at a constant pressure and other conditions was deduced, and applied to actual experimental depositions. The numerical simulation was conducted using the commercial computational fluent dynamics software ANSYS-FLUENT. To account for radiative heat-transfer in the HF-CVD reactor, the discrete ordinate (DO model was used. The temperatures of the filament surface and the susceptor at different power levels were predicted to be 2512–2802 K and 1076–1198 K, respectively. Based on the numerical calculations, experiments were performed. The simulated temperatures for the filament surface were in good agreement with the experimental temperatures measured using a two-color pyrometer. The results showed that the highest deposition rate and the lowest deposition of non-diamond was obtained at a power of 16 kW.

  13. Enhanced teaching and student learning through a simulator-based course in chemical unit operations design

    Science.gov (United States)

    Ghasem, Nayef

    2016-07-01

    This paper illustrates a teaching technique used in computer applications in chemical engineering employed for designing various unit operation processes, where the students learn about unit operations by designing them. The aim of the course is not to teach design, but rather to teach the fundamentals and the function of unit operation processes through simulators. A case study presenting the teaching method was evaluated using student surveys and faculty assessments, which were designed to measure the quality and effectiveness of the teaching method. The results of the questionnaire conclusively demonstrate that this method is an extremely efficient way of teaching a simulator-based course. In addition to that, this teaching method can easily be generalised and used in other courses. A student's final mark is determined by a combination of in-class assessments conducted based on cooperative and peer learning, progress tests and a final exam. Results revealed that peer learning can improve the overall quality of student learning and enhance student understanding.

  14. Simulation of the Fuel Reactor of a Coal-Fired Chemical Looping Combustor

    Science.gov (United States)

    Mahalatkar, Kartikeya; O'Brien, Thomas; Huckaby, E. David; Kuhlman, John

    2009-06-01

    removed from the bed and returned to the air reactor without any accompanying unburned fuel. This paper presents a simulation of the gas-particle granular flow, with heat transfer and chemical reactions, in the FR. Accurate simulation of the segregation processes, depending on particle density and size differences between the carrier and the fuel, allows the design of a reactor with the desired behavior.

  15. Reconstruction of the 1945 Wieringermeer Flood

    Science.gov (United States)

    Hoes, O. A. C.; Hut, R. W.; van de Giesen, N. C.; Boomgaard, M.

    2013-03-01

    The present state-of-the-art in flood risk assessment focuses on breach models, flood propagation models, and economic modelling of flood damage. However, models need to be validated with real data to avoid erroneous conclusions. Such reference data can either be historic data, or can be obtained from controlled experiments. The inundation of the Wieringermeer polder in the Netherlands in April 1945 is one of the few examples for which sufficient historical information is available. The objective of this article is to compare the flood simulation with flood data from 1945. The context, the breach growth process and the flood propagation are explained. Key findings for current flood risk management addresses the importance of the drainage canal network during the inundation of a polder, and the uncertainty that follows from not knowing the breach growth parameters. This case study shows that historical floods provide valuable data for the validation of models and reveal lessons that are applicable in current day flood risk management.

  16. Flood Response System—A Case Study

    Directory of Open Access Journals (Sweden)

    Yogesh Kumar Singh

    2017-06-01

    Full Text Available Flood Response System (FRS is a network-enabled solution developed using open-source software. The system has query based flood damage assessment modules with outputs in the form of spatial maps and statistical databases. FRS effectively facilitates the management of post-disaster activities caused due to flood, like displaying spatial maps of area affected, inundated roads, etc., and maintains a steady flow of information at all levels with different access rights depending upon the criticality of the information. It is designed to facilitate users in managing information related to flooding during critical flood seasons and analyzing the extent of damage. The inputs to FRS are provided using two components: (1 a semi-automated application developed indigenously, to delineate inundated areas for Near-Real Time Flood Monitoring using Active Microwave Remote Sensing data and (2 a two-dimensional (2D hydrodynamic river model generated outputs for water depth and velocity in flooded areas for an embankment breach scenario. The 2D Hydrodynamic model, CCHE2D (Center for Computational Hydroscience and Engineering Two-Dimensional model, was used to simulate an area of 600 km2 in the flood-prone zone of the Brahmaputra basin. The resultant inundated area from the model was found to be 85% accurate when validated with post-flood optical satellite data.

  17. Modeling and simulation of multiphase multicomponent multiphysics porous media flows in the context of chemical enhanced oil recovery

    Science.gov (United States)

    Dutta, Sourav; Daripa, Prabir; Fluids Team

    2015-11-01

    One of the most important methods of chemical enhanced oil recovery (EOR) involves the use of complex flooding schemes comprising of various layers of fluids mixed with suitable amounts of polymer or surfactant or both. The fluid flow is characterized by the spontaneous formation of complex viscous fingering patterns which is considered detrimental to oil recovery. Here we numerically study the physics of such EOR processes using a modern, hybrid method based on a combination of a discontinuous, multiscale finite element formulation and the method of characteristics. We investigate the effect of different types of heterogeneity on the fingering mechanism of these complex multiphase flows and determine the impact on oil recovery. We also study the effect of surfactants on the dynamics of the flow via reduction of capillary forces and increase in relative permeabilities. Supported by the grant NPRP 08-777-1-141 from the Qatar National Research Fund (a member of The Qatar Foundation).

  18. Simulation study of the chemical forms of neptunium and plutonium in groundwater from a borehole in the northwest region

    International Nuclear Information System (INIS)

    Ma Yingming; Jin Yuren; Wang Zhiqiang; Liu Dongxu; Liu Wei; Liu Yan

    2009-01-01

    According to physics-chymistry characteristic of groundwater from a borehole in the northwest region, we performed simulation study of the chemical forms of neptunium and plutonium by the geochemistry modeling program EQ3/6. The main conclusions are as follows: the main chemical form of neptunium in the groundwater is Np(V)'s NpO 2 + , subordination chemical forms are NpO 2 Cl, NpO 2 CO 3 - , NpO 2 OH, NpO 2 SO 4 - ; the main existing form of plutonium in the groundwater is Pu(IV)'s Pu(OH)5-and subordination chemical form is Pu(V)'s PuO 2 + . In addition,the temperature, pH and Eh also have different impacts on the chemical form of neptunium and plutonium. (authors)

  19. Simulation of the chemical environment of a nuclear explosion with exploding wires

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Walter; Block, Oliver U.J. [Nuclear Engineering, Kansas State University, Manhattan, KS (United States)

    1970-05-15

    The chemical processes in an expanding underground cavity resulting from a nuclear explosion cannot be predicted or controlled as well as such physical characteristics as crater size, magnitude of the outgoing shock wave, or the extent of rock fracturing. However in most underground nuclear explosions it would be desirable to control the chemical and/or physical form and amount of radioactive fallout venting from the explosion. The high temperatures and corresponding high energy densities produced by exploding wires are sufficient to produce in the wire and material immediately surrounding it the temperature (a few thousand degrees) required to simulate the chemical environment of a nuclear explosion in the time interval just preceding the venting of the cavity. The economics and the size of exploding wire apparatus make this type of experiment readily applicable to laboratory study. Design of exploding wire circuits to obtain particular temperatures or energy densities can be completed using several different combinations of circuit and wire conditions. Since the circuit parameters, including charging voltage, capacitor bank capacitance and circuit inductance primarily determine the cost of the necessary laboratory equipment, these parameters should be selected by theoretical expressions while also considering economic factors. Wire parameters are then experimentally determined to produce the most energetic explosions with the selected circuit parameters. A theoretical method applicable to designing exploding wire circuits to produce the desired high temperatures and energy densities in the wire and surrounding sample material has been obtained. The method assumes that a thermal spike of energy is deposited in a low conductivity material (typical of the earth's crust) surrounding the wire. From the assumed temperature distribution in the surrounding sample material the energy which must be deposited in the thermal spike to produce the desired temperature and

  20. Bubble column and CFD simulation for chemical recycling of polyethylene terephthalate

    Science.gov (United States)

    Alzuhairi, Mohammed

    2018-05-01

    Computational Fluid Dynamics (CFD) is an important simulation tool, which uses powerful computer to get optimal design in industrial processes. New approach technique of bubble column for three phases has been used with respect to chemical recycling of Polyethylene Terephthalate (PET). The porous ceramic has been used in thin plate (5 mm) with a narrow pore size distribution. Excellent agreement between CFD has been predicted and experimental profiles of hold-up and velocity close to wall have been observed for a column diameter 0.08 m, column height 0.15 m (HD), and superficial gas velocity (VG) 0.05 m/s. The main purpose of the current study is to highlight depolymerization of PET chemically by using the close system of Ethylene Glycol, PET-Catalyzed, and Nitrogen glycolysis process in bubble column of three phases technique by using Nano catalyst, SiO2 with various weight percent (0.01, 0.02, 0.05, 0.1, 0.2, and 0.5) based on PET weight and preheated Nitrogen up to 100° C by extra heater in bubble column reactor. The depolymerization time could be reduced in order to improve heat and mass transfer in comparison with the traditional methods. Little amount not exceeding 0.01% of Nano SiO2 is enough for completing depolymerization. The final product of PET depolymerization has full characterization by FTIR, AFM, CHN tests and has been used as a vital additive for Bitumen, it has been investigated as a moisture-proof, water seepage-proof material, and as a tough resistant to environmental conditions.

  1. Chemical analysis of simulated high level waste glasses to support stage III sulfate solubility modeling

    Energy Technology Data Exchange (ETDEWEB)

    Fox, K. M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-03-17

    The U.S. Department of Energy (DOE), Office of Environmental Management (EM) is sponsoring an international, collaborative project to develop a fundamental model for sulfate solubility in nuclear waste glass. The solubility of sulfate has a significant impact on the achievable waste loading for nuclear waste forms within the DOE complex. These wastes can contain relatively high concentrations of sulfate, which has low solubility in borosilicate glass. This is a significant issue for low-activity waste (LAW) glass and is projected to have a major impact on the Hanford Tank Waste Treatment and Immobilization Plant (WTP). Sulfate solubility has also been a limiting factor for recent high level waste (HLW) sludge processed at the Savannah River Site (SRS) Defense Waste Processing Facility (DWPF). The low solubility of sulfate in glass, along with melter and off-gas corrosion constraints, dictate that the waste be blended with lower sulfate concentration waste sources or washed to remove sulfate prior to vitrification. The development of enhanced borosilicate glass compositions with improved sulfate solubility will allow for higher waste loadings and accelerate mission completion.The objective of the current scope being pursued by SHU is to mature the sulfate solubility model to the point where it can be used to guide glass composition development for DWPF and WTP, allowing for enhanced waste loadings and waste throughput at these facilities. A series of targeted glass compositions was selected to resolve data gaps in the model and is identified as Stage III. SHU fabricated these glasses and sent samples to SRNL for chemical composition analysis. SHU will use the resulting data to enhance the sulfate solubility model and resolve any deficiencies. In this report, SRNL provides chemical analyses for the Stage III, simulated HLW glasses fabricated by SHU in support of the sulfate solubility model development.

  2. Chemical durability of lead borosilicate glass matrix under simulated geological conditions

    International Nuclear Information System (INIS)

    Yalmali, Vrunda S.; Deshingkar, D.S.; Wattal, P.K.

    2002-03-01

    The lead borosilicate glass has been developed for vitrification of High Level Waste (HLW) stored at Trombay. This waste is contains especially high contents of sodium, uranium sulphate and iron. The glasses containing HLW are to be ultimately disposed into deep geological repositories. Long term leach rates under simulated geological conditions need to be evaluated for glass matrix. Studies were taken up to estimate the lead borosilicate glass WTR-62 matrix for chemical durability in presence of synthetic ground water. The leachant selected was based on composition of ground water sample near proposed repository site. In the first phase of these tests, the experiments were conducted for short duration of one and half month. The leaching experiments were conducted in presence of a) distilled water b) synthetic ground water c) synthetic ground water containing granite, bentonite and ferric oxide and d) synthetic ground water containing humic acid at 100 0 C. The leachate samples were analysed by pHmetry , ion chromatography and UV -VIS spectrophotometry. The normalised leach rates for lead borosilicate WTR- 62 glass matrix based on silica, boron and sulphate analyses of leachates were of the order of 10 -3 to 10 -5 gms/cm 2 /day for 45 days test period in presence of synthetic ground water as well as in presence of other materials likely to be present along with synthetic ground water. These rates are comparable to those of sodium borsilicate glass matrices reported in literature. It is known that the leach rates of glass matrix decrease with longer test durations due to formation of leached layer on its surface. The observed leach rates of lead borosilicate WTR- 62 glass matrix for 45 day tests under simulated geological conditions were found to be sufficiently encouraging to take up long term tests for evaluating its performances under repository conditions. (author)

  3. Designing Solutions by a Student Centred Approach: Integration of Chemical Process Simulation with Statistical Tools to Improve Distillation Systems

    Directory of Open Access Journals (Sweden)

    Isabel M. Joao

    2017-09-01

    Full Text Available Projects thematically focused on simulation and statistical techniques for designing and optimizing chemical processes can be helpful in chemical engineering education in order to meet the needs of engineers. We argue for the relevance of the projects to improve a student centred approach and boost higher order thinking skills. This paper addresses the use of Aspen HYSYS by Portuguese chemical engineering master students to model distillation systems together with statistical experimental design techniques in order to optimize the systems highlighting the value of applying problem specific knowledge, simulation tools and sound statistical techniques. The paper summarizes the work developed by the students in order to model steady-state processes, dynamic processes and optimize the distillation systems emphasizing the benefits of the simulation tools and statistical techniques in helping the students learn how to learn. Students strengthened their domain specific knowledge and became motivated to rethink and improve chemical processes in their future chemical engineering profession. We discuss the main advantages of the methodology from the students’ and teachers perspective

  4. MATLAB Algorithms for Rapid Detection and Embedding of Palindrome and Emordnilap Electronic Watermarks in Simulated Chemical and Biological Image Data

    National Research Council Canada - National Science Library

    Robbins, Ronny C

    2004-01-01

    .... This is similar to words such as STOP which when flipped left right gives the new word POTS. Emordnilap is palindrome spelled backwards. This paper explores the use of MATLAB algorithms in the rapid detection and embedding of palindrome and emordnilap electronic watermarks in simulated chemical and biological Image Data.

  5. Simulation of emergency response operations for a static chemical spill within a building using an opportunistic resource utilization network

    NARCIS (Netherlands)

    Lilien, L.T.; Elbes, M.W.; Ben Othmane, L.; Salih, R.M.

    2013-01-01

    We investigate supporting emergency response operations with opportunistic resource utilization networks ("oppnets"), based on a network paradigm for inviting and integrating diverse devices and systems available in the environment. We simulate chemical spill on a single floor of a building and

  6. Biochar-organic amendment mixtures added to simulated golf greens under reduced chemical fertilization increase creeping bentgrass growth

    Science.gov (United States)

    Simulated golf greens were used to test the growth of creeping bentgrass (Agrostis stolonifera L. "007") receiving suboptimal chemical fertilization in sand based substrates amended with 15% peat (control), a commercial biochar, a commercial biochar-compost (CarbonizPN), or seven formulated biochar...

  7. Osmotic Pressure of Aqueous Electrolyte Solutions via Molecular Simulations of Chemical Potentials: Application to NaCl.

    Czech Academy of Sciences Publication Activity Database

    Smith, W.R.; Moučka, F.; Nezbeda, Ivo

    2016-01-01

    Roč. 407, Sl (2016), s. 76-83 ISSN 0378-3812 Grant - others:NSERC(CA) OGP1041 Institutional support: RVO:67985858 Keywords : osmotic pressure * chemical potential * molecular simulation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.473, year: 2016

  8. An automated method to find transition states using chemical dynamics simulations.

    Science.gov (United States)

    Martínez-Núñez, Emilio

    2015-02-05

    A procedure to automatically find the transition states (TSs) of a molecular system (MS) is proposed. It has two components: high-energy chemical dynamics simulations (CDS), and an algorithm that analyzes the geometries along the trajectories to find reactive pathways. Two levels of electronic structure calculations are involved: a low level (LL) is used to integrate the trajectories and also to optimize the TSs, and a higher level (HL) is used to reoptimize the structures. The method has been tested in three MSs: formaldehyde, formic acid (FA), and vinyl cyanide (VC), using MOPAC2012 and Gaussian09 to run the LL and HL calculations, respectively. Both the efficacy and efficiency of the method are very good, with around 15 TS structures optimized every 10 trajectories, which gives a total of 7, 12, and 83 TSs for formaldehyde, FA, and VC, respectively. The use of CDS makes it a powerful tool to unveil possible nonstatistical behavior of the system under study. © 2014 Wiley Periodicals, Inc.

  9. Destruction of chemical agent simulants in a supercritical water oxidation bench-scale reactor

    Energy Technology Data Exchange (ETDEWEB)

    Veriansyah, Bambang [Supercritical Fluid Research Laboratory, Clean Technology Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of) and Department of Green Process and System Engineering, University of Science and Technology, 39-1 Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of)]. E-mail: vaveri@kist.re.kr; Kim, Jae-Duck [Supercritical Fluid Research Laboratory, Clean Technology Research Center, Korea Institute of Science and Technology (KIST), 39-1 Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of) and Department of Green Process and System Engineering, University of Science and Technology, 39-1 Hawolgok-dong, Seongbuk-gu, Seoul 136-791 (Korea, Republic of)]. E-mail: jdkim@kist.re.kr; Lee, Jong-Chol [Agency for Defense Development (ADD), P.O. Box 35-1, Yuseong-gu, Daejeon (Korea, Republic of)]. E-mail: jcleeadd@hanafos.com

    2007-08-17

    A new design of supercritical water oxidation (SCWO) bench-scale reactor has been developed to handle high-risk wastes resulting from munitions demilitarization. The reactor consists of a concentric vertical double wall in which SCWO reaction takes place inside an inner tube (titanium grade 2, non-porous) whereas pressure resistance is ensured by a Hastelloy C-276 external vessel. The performances of this reactor were investigated with two different kinds of chemical warfare agent simulants: OPA (a mixture of isopropyl amine and isopropyl alcohol) as the binary precursor for nerve agent of sarin and thiodiglycol [TDG (HOC{sub 2}H{sub 4}){sub 2}S] as the model organic sulfur heteroatom. High destruction rates based on total organic carbon (TOC) were achieved (>99.99%) without production of chars or undesired gases such as carbon monoxide and methane. The carbon-containing product was carbon dioxide whereas the nitrogen-containing products were nitrogen and nitrous oxide. Sulfur was totally recovered in the aqueous effluent as sulfuric acid. No corrosion was noticed in the reactor after a cumulative operation time of more than 250 h. The titanium tube shielded successfully the pressure vessel from corrosion.

  10. Water Quality Assessment Simulation Program (WASP8): Upgrades to the Advanced Toxicant Module for Simulating Dissolved Chemicals, Nanomaterials, and Solids

    Science.gov (United States)

    The Water Quality Analysis Simulation Program (WASP) is a dynamic, spatially-resolved, differential mass balance fate and transport modeling framework. WASP is used to develop models to simulate concentrations of environmental contaminants in surface waters and sediments. As a mo...

  11. Pesticide-soil microflora interactions in flooded rice soils

    International Nuclear Information System (INIS)

    Sethunathan, N.; Siddaramappa, R.; Siddarame Gowda, T.K.; Rajaram, K.P.; Barik, S.; Rao, V.R.

    1976-01-01

    Isotope studies revealed that gamma and beta isomers of HCH (hexachlorocyclohexane) decomposed rapidly in nonsterile soils capable of attaining redox potentials of -40 to -100mV within 20 days after flooding. Degradation was slow, however, in soils low in organic matter and in soils with extremely low pH and positive potentials, even after several weeks of flooding. Under flooded conditions, endrin decomposed to six metabolites in most soils. There is evidence that biological hydrolysis of parathion is more widespread than hitherto believed, particularly under flooded soil conditions. Applications of benomyl (fungicide) to a simulated-oxidized zone of flooded soils favoured heterotrophic nitrification. (author)

  12. Robust Adaptation? Assessing the sensitivity of safety margins in flood defences to uncertainty in future simulations - a case study from Ireland.

    Science.gov (United States)

    Murphy, Conor; Bastola, Satish; Sweeney, John

    2013-04-01

    Climate change impact and adaptation assessments have traditionally adopted a 'top-down' scenario based approach, where information from different Global Climate Models (GCMs) and emission scenarios are employed to develop impacts led adaptation strategies. Due to the tradeoffs in the computational cost and need to include a wide range of GCMs for fuller characterization of uncertainties, scenarios are better used for sensitivity testing and adaptation options appraisal. One common approach to adaptation that has been defined as robust is the use of safety margins. In this work the sensitivity of safety margins that have been adopted by the agency responsible for flood risk management in Ireland, to the uncertainty in future projections are examined. The sensitivity of fluvial flood risk to climate change is assessed for four Irish catchments using a large number of GCMs (17) forced with three emissions scenarios (SRES A1B, A2, B1) as input to four hydrological models. Both uncertainty within and between hydrological models is assessed using the GLUE framework. Regionalisation is achieved using a change factor method to infer changes in the parameters of a weather generator using monthly output from the GCMs, while flood frequency analysis is conducted using the method of probability weighted moments to fit the Generalised Extreme Value distribution to ~20,000 annual maxima series. The sensitivity of design margins to the uncertainty space considered is visualised using risk response surfaces. The hydrological sensitivity is measured as the percentage change in flood peak for specified recurrence intervals. Results indicate that there is a considerable residual risk associated with allowances of +20% when uncertainties are accounted for and that the risk of exceedence of design allowances is greatest for more extreme, low frequency events with considerable implication for critical infrastructure, e.g., culverts, bridges, flood defences whose designs are normally

  13. Intra-/inter-laboratory validation study on reactive oxygen species assay for chemical photosafety evaluation using two different solar simulators.

    Science.gov (United States)

    Onoue, Satomi; Hosoi, Kazuhiro; Toda, Tsuguto; Takagi, Hironori; Osaki, Naoto; Matsumoto, Yasuhiro; Kawakami, Satoru; Wakuri, Shinobu; Iwase, Yumiko; Yamamoto, Toshinobu; Nakamura, Kazuichi; Ohno, Yasuo; Kojima, Hajime

    2014-06-01

    A previous multi-center validation study demonstrated high transferability and reliability of reactive oxygen species (ROS) assay for photosafety evaluation. The present validation study was undertaken to verify further the applicability of different solar simulators and assay performance. In 7 participating laboratories, 2 standards and 42 coded chemicals, including 23 phototoxins and 19 non-phototoxic drugs/chemicals, were assessed by the ROS assay using two different solar simulators (Atlas Suntest CPS series, 3 labs; and Seric SXL-2500V2, 4 labs). Irradiation conditions could be optimized using quinine and sulisobenzone as positive and negative standards to offer consistent assay outcomes. In both solar simulators, the intra- and inter-day precisions (coefficient of variation; CV) for quinine were found to be below 10%. The inter-laboratory CV for quinine averaged 15.4% (Atlas Suntest CPS) and 13.2% (Seric SXL-2500V2) for singlet oxygen and 17.0% (Atlas Suntest CPS) and 7.1% (Seric SXL-2500V2) for superoxide, suggesting high inter-laboratory reproducibility even though different solar simulators were employed for the ROS assay. In the ROS assay on 42 coded chemicals, some chemicals (ca. 19-29%) were unevaluable because of limited solubility and spectral interference. Although several false positives appeared with positive predictivity of ca. 76-92% (Atlas Suntest CPS) and ca. 75-84% (Seric SXL-2500V2), there were no false negative predictions in both solar simulators. A multi-center validation study on the ROS assay demonstrated satisfactory transferability, accuracy, precision, and predictivity, as well as the availability of other solar simulators. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Flood Hazard Area

    Data.gov (United States)

    Earth Data Analysis Center, University of New Mexico — The National Flood Hazard Layer (NFHL) data incorporates all Digital Flood Insurance Rate Map(DFIRM) databases published by FEMA, and any Letters Of Map Revision...

  15. Flood Hazard Boundaries

    Data.gov (United States)

    Earth Data Analysis Center, University of New Mexico — The National Flood Hazard Layer (NFHL) data incorporates all Digital Flood Insurance Rate Map(DFIRM) databases published by FEMA, and any Letters Of Map Revision...

  16. Base Flood Elevation

    Data.gov (United States)

    Earth Data Analysis Center, University of New Mexico — The National Flood Hazard Layer (NFHL) data incorporates all Digital Flood Insurance Rate Map(DFIRM) databases published by FEMA, and any Letters Of Map Revision...

  17. Flood Risk Regional Flood Defences : Technical report

    NARCIS (Netherlands)

    Kok, M.; Jonkman, S.N.; Lendering, K.T.

    2015-01-01

    Historically the Netherlands have always had to deal with the threat of flooding, both from the rivers and the sea as well as from heavy rainfall. The country consists of a large amount of polders, which are low lying areas of land protected from flooding by embankments. These polders require an

  18. Near-real-time simulation and internet-based delivery of forecast-flood inundation maps using two-dimensional hydraulic modeling--A pilot study for the Snoqualmie River, Washington

    Science.gov (United States)

    Jones, Joseph L.; Fulford, Janice M.; Voss, Frank D.

    2002-01-01

    A system of numerical hydraulic modeling, geographic information system processing, and Internet map serving, supported by new data sources and application automation, was developed that generates inundation maps for forecast floods in near real time and makes them available through the Internet. Forecasts for flooding are generated by the National Weather Service (NWS) River Forecast Center (RFC); these forecasts are retrieved automatically by the system and prepared for input to a hydraulic model. The model, TrimR2D, is a new, robust, two-dimensional model capable of simulating wide varieties of discharge hydrographs and relatively long stream reaches. TrimR2D was calibrated for a 28-kilometer reach of the Snoqualmie River in Washington State, and is used to estimate flood extent, depth, arrival time, and peak time for the RFC forecast. The results of the model are processed automatically by a Geographic Information System (GIS) into maps of flood extent, depth, and arrival and peak times. These maps subsequently are processed into formats acceptable by an Internet map server (IMS). The IMS application is a user-friendly interface to access the maps over the Internet; it allows users to select what information they wish to see presented and allows the authors to define scale-dependent availability of map layers and their symbology (appearance of map features). For example, the IMS presents a background of a digital USGS 1:100,000-scale quadrangle at smaller scales, and automatically switches to an ortho-rectified aerial photograph (a digital photograph that has camera angle and tilt distortions removed) at larger scales so viewers can see ground features that help them identify their area of interest more effectively. For the user, the option exists to select either background at any scale. Similar options are provided for both the map creator and the viewer for the various flood maps. This combination of a robust model, emerging IMS software, and application

  19. Improving the Resilience of Major Ports and Critical Supply Chains to Extreme Coastal Flooding: a Combined Artificial Neural Network and Hydrodynamic Simulation Approach to Predicting Tidal Surge Inundation of Port Infrastructure and Impact on Operations.

    Science.gov (United States)

    French, J.

    2015-12-01

    Ports are vital to the global economy, but assessments of global exposure to flood risk have generally focused on major concentrations of population or asset values. Few studies have examined the impact of extreme inundation events on port operation and critical supply chains. Extreme water levels and recurrence intervals have conventionally been estimated via analysis of historic water level maxima, and these vary widely depending on the statistical assumptions made. This information is supplemented by near-term forecasts from operational surge-tide models, which give continuous water levels but at considerable computational cost. As part of a NERC Infrastructure and Risk project, we have investigated the impact of North Sea tidal surges on the Port of Immingham, eastern, UK. This handles the largest volume of bulk cargo in the UK and flows of coal and biomass that are critically important for national energy security. The port was partly flooded during a major tidal surge in 2013. This event highlighted the need for improved local forecasts of surge timing in relation to high water, with a better indication of flood depth and duration. We address this problem using a combination of data-driven and numerical hydrodynamic models. An Artificial Neural Network (ANN) is first used to predict the surge component of water level from meteorological data. The input vector comprises time-series of local wind (easterly and northerly wind stress) and pressure, as well as regional pressure and pressure gradients from stations between the Shetland Islands and the Humber estuary. The ANN achieves rms errors of around 0.1 m and can generate short-range (~ 3 to 12 hour) forecasts given real-time input data feeds. It can also synthesize water level events for a wider range of tidal and meteorological forcing combinations than contained in the observational records. These are used to force Telemac2D numerical floodplain simulations using a LiDAR digital elevation model of the port

  20. Topographical change caused by moderate and small floods in a gravel bed ephemeral river – a depth-averaged morphodynamic simulation approach

    Directory of Open Access Journals (Sweden)

    E. S. Lotsari

    2018-03-01

    Full Text Available In ephemeral rivers, channel morphology represents a snapshot at the end of a succession of geomorphic changes caused by floods. In most cases, the channel shape and bedform migration during different phases of a flood hydrograph cannot be identified from field evidence. This paper analyses the timing of riverbed erosion and deposition of a gravel bed ephemeral river channel (Rambla de la Viuda, Spain during consecutive and moderate- (March 2013 and low-magnitude (May 2013 discharge events, by applying a morphodynamic model (Delft3D calibrated with pre- and post-event surveys by RTK-GPS points and mobile laser scanning. The study reach is mainly depositional and all bedload sediment supplied from adjacent upstream areas is trapped in the study segment forming gravel lobes. Therefore, estimates of total bedload sediment mass balance can be obtained from pre- and post-field survey for each flood event. The spatially varying grain size data and transport equations were the most important factors for model calibration, in addition to flow discharge. The channel acted as a braided channel during the lower flows of the two discharge events, but when bars were submerged in the high discharges of May 2013, the high fluid forces followed a meandering river planform. The model results showed that erosion and deposition were in total greater during the long-lasting receding phase than during the rising phase of the flood hydrographs. In the case of the moderate-magnitude discharge event, deposition and erosion peaks were predicted to occur at the beginning of the hydrograph, whereas deposition dominated throughout the event. Conversely, the low-magnitude discharge event only experienced the peak of channel changes after the discharge peak. Thus, both type of discharge events highlight the importance of receding phase for this type of gravel bed ephemeral river channel.

  1. Topographical change caused by moderate and small floods in a gravel bed ephemeral river - a depth-averaged morphodynamic simulation approach

    Science.gov (United States)

    Lotsari, Eliisa S.; Calle, Mikel; Benito, Gerardo; Kukko, Antero; Kaartinen, Harri; Hyyppä, Juha; Hyyppä, Hannu; Alho, Petteri

    2018-03-01

    In ephemeral rivers, channel morphology represents a snapshot at the end of a succession of geomorphic changes caused by floods. In most cases, the channel shape and bedform migration during different phases of a flood hydrograph cannot be identified from field evidence. This paper analyses the timing of riverbed erosion and deposition of a gravel bed ephemeral river channel (Rambla de la Viuda, Spain) during consecutive and moderate- (March 2013) and low-magnitude (May 2013) discharge events, by applying a morphodynamic model (Delft3D) calibrated with pre- and post-event surveys by RTK-GPS points and mobile laser scanning. The study reach is mainly depositional and all bedload sediment supplied from adjacent upstream areas is trapped in the study segment forming gravel lobes. Therefore, estimates of total bedload sediment mass balance can be obtained from pre- and post-field survey for each flood event. The spatially varying grain size data and transport equations were the most important factors for model calibration, in addition to flow discharge. The channel acted as a braided channel during the lower flows of the two discharge events, but when bars were submerged in the high discharges of May 2013, the high fluid forces followed a meandering river planform. The model results showed that erosion and deposition were in total greater during the long-lasting receding phase than during the rising phase of the flood hydrographs. In the case of the moderate-magnitude discharge event, deposition and erosion peaks were predicted to occur at the beginning of the hydrograph, whereas deposition dominated throughout the event. Conversely, the low-magnitude discharge event only experienced the peak of channel changes after the discharge peak. Thus, both type of discharge events highlight the importance of receding phase for this type of gravel bed ephemeral river channel.

  2. Validation of a Global Hydrodynamic Flood Inundation Model

    Science.gov (United States)

    Bates, P. D.; Smith, A.; Sampson, C. C.; Alfieri, L.; Neal, J. C.

    2014-12-01

    In this work we present first validation results for a hyper-resolution global flood inundation model. We use a true hydrodynamic model (LISFLOOD-FP) to simulate flood inundation at 1km resolution globally and then use downscaling algorithms to determine flood extent and depth at 90m spatial resolution. Terrain data are taken from a custom version of the SRTM data set that has been processed specifically for hydrodynamic modelling. Return periods of flood flows along the entire global river network are determined using: (1) empirical relationships between catchment characteristics and index flood magnitude in different hydroclimatic zones derived from global runoff data; and (2) an index flood growth curve, also empirically derived. Bankful return period flow is then used to set channel width and depth, and flood defence impacts are modelled using empirical relationships between GDP, urbanization and defence standard of protection. The results of these simulations are global flood hazard maps for a number of different return period events from 1 in 5 to 1 in 1000 years. We compare these predictions to flood hazard maps developed by national government agencies in the UK and Germany using similar methods but employing detailed local data, and to observed flood extent at a number of sites including St. Louis, USA and Bangkok in Thailand. Results show that global flood hazard models can have considerable skill given careful treatment to overcome errors in the publicly available data that are used as their input.

  3. Chemical Analysis and Simulated Pyrolysis of Tobacco Heating System 2.2 Compared to Conventional Cigarettes.

    Science.gov (United States)

    Li, Xiangyu; Luo, Yanbo; Jiang, Xingyi; Zhang, Hongfei; Zhu, Fengpeng; Hu, Shaodong; Hou, Hongwei; Hu, Qingyuan; Pang, Yongqiang

    2018-01-08

    Tobacco Heating System 2.2 (THS 2.2, marketed as iQOS), is a heat-not-burn (HNB) tobacco product that has been successfully introduced to global markets. Despite its expanding market, few independent and systematic researches into THS 2.2 have been carried out to date. We tested a comprehensive list of total particulate matter (TPM), water, tar, nicotine, propylene glycol, glycerin, carbon monoxide, volatile organic compounds, aromatic amines, hydrogen cyanide, ammonia, N-nitrosamines, phenol, and polycyclic aromatic hydrocarbon under both ISO and HCI regimes. We also simulated pyrolysis of THS 2.2 heating sticks and made comparisons with conventional cigarette tobacco fillers using comprehensive gas chromatography-mass spectrometry (GC × GC-MS) to determine whether the specially designed ingredients help reduce harmful constituents. Other than some carbonyls, ammonia, and N-nitrosoanabasine (NAB), the delivered releases from THS 2.2 were at least 80% lower than those from 3R4F. Tar and nicotine remained almost the same as 3R4F. Interestingly, the normalized yield of THS 2.2 to 3R4F under the HCI regime was lower than under the ISO regime. THS 2.2 delivered fewer harmful constituents than the conventional cigarette 3R4F. Simulated pyrolysis results showed that the lower temperature instead of specially designed ingredients contributed to the distinct shift. In particular, if smoking machines are involved to evaluate the HNB products, smoking regimes of heat-not-burn tobacco products should be carefully chosen. To our knowledge, few independent studies of HNB products have been published. In this paper, a comprehensive list of chemical releases was tested systematically and compared to those from 3R4F. Although THS 2.2 generates lower levels of harmful constituents, the nicotine and tar levels were almost identical to 3R4F.The results should be discussed carefully in the future when assess the dual-use with other conventional cigarettes, nicotine dependence of HNB

  4. Graphene Nanoplatelet-Polymer Chemiresistive Sensor Arrays for the Detection and Discrimination of Chemical Warfare Agent Simulants.

    Science.gov (United States)

    Wiederoder, Michael S; Nallon, Eric C; Weiss, Matt; McGraw, Shannon K; Schnee, Vincent P; Bright, Collin J; Polcha, Michael P; Paffenroth, Randy; Uzarski, Joshua R

    2017-11-22

    A cross-reactive array of semiselective chemiresistive sensors made of polymer-graphene nanoplatelet (GNP) composite coated electrodes was examined for detection and discrimination of chemical warfare agents (CWA). The arrays employ a set of chemically diverse polymers to generate a unique response signature for multiple CWA simulants and background interferents. The developed sensors' signal remains consistent after repeated exposures to multiple analytes for up to 5 days with a similar signal magnitude across different replicate sensors with the same polymer-GNP coating. An array of 12 sensors each coated with a different polymer-GNP mixture was exposed 100 times to a cycle of single analyte vapors consisting of 5 chemically similar CWA simulants and 8 common background interferents. The collected data was vector normalized to reduce concentration dependency, z-scored to account for baseline drift and signal-to-noise ratio, and Kalman filtered to reduce noise. The processed data was dimensionally reduced with principal component analysis and analyzed with four different machine learning algorithms to evaluate discrimination capabilities. For 5 similarly structured CWA simulants alone 100% classification accuracy was achieved. For all analytes tested 99% classification accuracy was achieved demonstrating the CWA discrimination capabilities of the developed system. The novel sensor fabrication methods and data processing techniques are attractive for development of sensor platforms for discrimination of CWA and other classes of chemical vapors.

  5. 2 Dimensional Hydrodynamic Flood Routing Analysis on Flood Forecasting Modelling for Kelantan River Basin

    Directory of Open Access Journals (Sweden)

    Azad Wan Hazdy

    2017-01-01

    Full Text Available Flood disaster occurs quite frequently in Malaysia and has been categorized as the most threatening natural disaster compared to landslides, hurricanes, tsunami, haze and others. A study by Department of Irrigation and Drainage (DID show that 9% of land areas in Malaysia are prone to flood which may affect approximately 4.9 million of the population. 2 Dimensional floods routing modelling demonstrate is turning out to be broadly utilized for flood plain display and is an extremely viable device for evaluating flood. Flood propagations can be better understood by simulating the flow and water level by using hydrodynamic modelling. The hydrodynamic flood routing can be recognized by the spatial complexity of the schematization such as 1D model and 2D model. It was found that most of available hydrological models for flood forecasting are more focus on short duration as compared to long duration hydrological model using the Probabilistic Distribution Moisture Model (PDM. The aim of this paper is to discuss preliminary findings on development of flood forecasting model using Probabilistic Distribution Moisture Model (PDM for Kelantan river basin. Among the findings discuss in this paper includes preliminary calibrated PDM model, which performed reasonably for the Dec 2014, but underestimated the peak flows. Apart from that, this paper also discusses findings on Soil Moisture Deficit (SMD and flood plain analysis. Flood forecasting is the complex process that begins with an understanding of the geographical makeup of the catchment and knowledge of the preferential regions of heavy rainfall and flood behaviour for the area of responsibility. Therefore, to decreases the uncertainty in the model output, so it is important to increase the complexity of the model.

  6. Statistical analysis of the uncertainty related to flood hazard appraisal

    Science.gov (United States)

    Notaro, Vincenza; Freni, Gabriele

    2015-12-01

    The estimation of flood hazard frequency statistics for an urban catchment is of great interest in practice. It provides the evaluation of potential flood risk and related damage and supports decision making for flood risk management. Flood risk is usually defined as function of the probability, that a system deficiency can cause flooding (hazard), and the expected damage, due to the flooding magnitude (damage), taking into account both the exposure and the vulnerability of the goods at risk. The expected flood damage can be evaluated by an a priori estimation of potential damage caused by flooding or by interpolating real damage data. With regard to flood hazard appraisal several procedures propose to identify some hazard indicator (HI) such as flood depth or the combination of flood depth and velocity and to assess the flood hazard corresponding to the analyzed area comparing the HI variables with user-defined threshold values or curves (penalty curves or matrixes). However, flooding data are usually unavailable or piecemeal allowing for carrying out a reliable flood hazard analysis, therefore hazard analysis is often performed by means of mathematical simulations aimed at evaluating water levels and flow velocities over catchment surface. As results a great part of the uncertainties intrinsic to flood risk appraisal can be related to the hazard evaluation due to the uncertainty inherent to modeling results and to the subjectivity of the user defined hazard thresholds applied to link flood depth to a hazard level. In the present work, a statistical methodology was proposed for evaluating and reducing the uncertainties connected with hazard level estimation. The methodology has been applied to a real urban watershed as case study.

  7. Ideas and Approaches on “Construction of High Level Simulation Experimental Teaching Center of Virtual Chemical Laboratory”

    Science.gov (United States)

    Zhang, Yunshen

    2017-11-01

    With the spiritual guidance of the Circular on the Construction of National Virtual Simulation Experimental Teaching Center by the National Department of Education, according to the requirements of construction task and work content, and based on the reality of the simulation experimental teaching center of virtual chemical laboratory at Tianjin University, this paper mainly strengthens the understanding of virtual simulation experimental teaching center from three aspects, and on this basis, this article puts forward specific construction ideas, which refer to the “four combinations, five in one, the optimization of the resources and school-enterprise cooperation”, and on this basis, this article has made effective explorations. It also shows the powerful functions of the virtual simulation experimental teaching platform in all aspects by taking the synthesis and analysis of organic compounds as an example.

  8. Flood impacts on a water distribution network

    Science.gov (United States)

    Arrighi, Chiara; Tarani, Fabio; Vicario, Enrico; Castelli, Fabio

    2017-12-01

    Floods cause damage to people, buildings and infrastructures. Water distribution systems are particularly exposed, since water treatment plants are often located next to the rivers. Failure of the system leads to both direct losses, for instance damage to equipment and pipework contamination, and indirect impact, since it may lead to service disruption and thus affect populations far from the event through the functional dependencies of the network. In this work, we present an analysis of direct and indirect damages on a drinking water supply system, considering the hazard of riverine flooding as well as the exposure and vulnerability of active system components. The method is based on interweaving, through a semi-automated GIS procedure, a flood model and an EPANET-based pipe network model with a pressure-driven demand approach, which is needed when modelling water distribution networks in highly off-design conditions. Impact measures are defined and estimated so as to quantify service outage and potential pipe contamination. The method is applied to the water supply system of the city of Florence, Italy, serving approximately 380 000 inhabitants. The evaluation of flood impact on the water distribution network is carried out for different events with assigned recurrence intervals. Vulnerable elements exposed to the flood are identified and analysed in order to estimate their residual functionality and to simulate failure scenarios. Results show that in the worst failure scenario (no residual functionality of the lifting station and a 500-year flood), 420 km of pipework would require disinfection with an estimated cost of EUR 21 million, which is about 0.5 % of the direct flood losses evaluated for buildings and contents. Moreover, if flood impacts on the water distribution network are considered, the population affected by the flood is up to 3 times the population directly flooded.

  9. Some Sensitivity Studies of Chemical Transport Simulated in Models of the Soil-Plant-Litter System

    Energy Technology Data Exchange (ETDEWEB)

    Begovich, C.L.

    2002-10-28

    Fifteen parameters in a set of five coupled models describing carbon, water, and chemical dynamics in the soil-plant-litter system were varied in a sensitivity analysis of model response. Results are presented for chemical distribution in the components of soil, plants, and litter along with selected responses of biomass, internal chemical transport (xylem and phloem pathways), and chemical uptake. Response and sensitivity coefficients are presented for up to 102 model outputs in an appendix. Two soil properties (chemical distribution coefficient and chemical solubility) and three plant properties (leaf chemical permeability, cuticle thickness, and root chemical conductivity) had the greatest influence on chemical transport in the soil-plant-litter system under the conditions examined. Pollutant gas uptake (SO{sub 2}) increased with change in plant properties that increased plant growth. Heavy metal dynamics in litter responded to plant properties (phloem resistance, respiration characteristics) which induced changes in the chemical cycling to the litter system. Some of the SO{sub 2} and heavy metal responses were not expected but became apparent through the modeling analysis.

  10. Street floods in Metro Manila and possible solutions.

    Science.gov (United States)

    Lagmay, Alfredo Mahar; Mendoza, Jerico; Cipriano, Fatima; Delmendo, Patricia Anne; Lacsamana, Micah Nieves; Moises, Marc Anthony; Pellejera, Nicanor; Punay, Kenneth Niño; Sabio, Glenn; Santos, Laurize; Serrano, Jonathan; Taniza, Herbert James; Tingin, Neil Eneri

    2017-09-01

    Urban floods from thunderstorms cause severe problems in Metro Manila due to road traffic. Using Light Detection and Ranging (LiDAR)-derived topography, flood simulations and anecdotal reports, the root of surface flood problems in Metro Manila is identified. Majority of flood-prone areas are along the intersection of creeks and streets located in topographic lows. When creeks overflow or when rapidly accumulated street flood does not drain fast enough to the nearest stream channel, the intersecting road also gets flooded. Possible solutions include the elevation of roads or construction of well-designed drainage structures leading to the creeks. Proposed solutions to the flood problem of Metro Manila may avoid paralyzing traffic problems due to short-lived rain events, which according to Japan International Cooperation Agency (JICA) cost the Philippine economy 2.4billionpesos/day. Copyright © 2017. Published by Elsevier B.V.

  11. Process/Engineering Co-Simulation of Oxy-Combustion and Chemical Looping Combustion

    Energy Technology Data Exchange (ETDEWEB)

    Sloan, David [Alstom Power Inc., Windsor, CT (United States)

    2013-03-01

    Over the past several years, the DOE has sponsored various funded programs, collectively referred to as Advanced Process Engineering Co-Simulator (APECS) programs, which have targeted the development of a steady-state simulator for advanced power plants. The simulator allows the DOE and its contractors to systematically evaluate various power plant concepts, either for preliminary conceptual design or detailed final design.

  12. FLOOD MENACE IN KADUNA METROPOLIS: IMPACTS ...

    African Journals Online (AJOL)

    Dr A.B.Ahmed

    damage, causes of flooding, human response to flooding and severity of ... from moving out. Source of ... Man responds to flood hazards through adjustment, flood abatement ... action to minimize or ameliorate flood hazards; flood abatement.

  13. Simulation codes of chemical separation process of spent fuel reprocessing. Tool for process development and safety research

    International Nuclear Information System (INIS)

    Asakura, Toshihide; Sato, Makoto; Matsumura, Masakazu; Morita, Yasuji

    2005-01-01

    This paper reviews the succeeding development and utilization of Extraction System Simulation Code for Advanced Reprocessing (ESSCAR). From the viewpoint of development, more tests with spent fuel and calculations should be performed with better understanding of the physico-chemical phenomena in a separation process. From the viewpoint of process safety research on fuel cycle facilities, it is important to know the process behavior of a key substance; being highly reactive but existing only trace amount. (author)

  14. Modeling of Flood Risk for the Continental United States

    Science.gov (United States)

    Lohmann, D.; Li, S.; Katz, B.; Goteti, G.; Kaheil, Y. H.; Vojjala, R.

    2011-12-01

    The science of catastrophic risk modeling helps people to understand the physical and financial implications of natural catastrophes (hurricanes, flood, earthquakes, etc.), terrorism, and the risks associated with changes in life expectancy. As such it depends on simulation techniques that integrate multiple disciplines such as meteorology, hydrology, structural engineering, statistics, computer science, financial engineering, actuarial science, and more in virtually every field of technology. In this talk we will explain the techniques and underlying assumptions of building the RMS US flood risk model. We especially will pay attention to correlation (spatial and temporal), simulation and uncertainty in each of the various components in the development process. Recent extreme floods (e.g. US Midwest flood 2008, US Northeast flood, 2010) have increased the concern of flood risk. Consequently, there are growing needs to adequately assess the flood risk. The RMS flood hazard model is mainly comprised of three major components. (1) Stochastic precipitation simulation module based on a Monte-Carlo analogue technique, which is capable of producing correlated rainfall events for the continental US. (2) Rainfall-runoff and routing module. A semi-distributed rainfall-runoff model was developed to properly assess the antecedent conditions, determine the saturation area and runoff. The runoff is further routed downstream along the rivers by a routing model. Combined with the precipitation model, it allows us to correlate the streamflow and hence flooding from different rivers, as well as low and high return-periods across the continental US. (3) Flood inundation module. It transforms the discharge (output from the flow routing) into water level, which is further combined with a two-dimensional off-floodplain inundation model to produce comprehensive flood hazard map. The performance of the model is demonstrated by comparing to the observation and published data. Output from

  15. Assessment of Hyporheic Zone, Flood-Plain, Soil-Gas, Soil, and Surface-Water Contamination at the McCoys Creek Chemical Training Area, Fort Gordon, Georgia, 2009-2010

    Science.gov (United States)

    Guimaraes, Wladmir B.; Falls, W. Fred; Caldwell, Andral W.; Ratliff, W. Hagan; Wellborn, John B.; Landmeyer, James E.

    2011-01-01

    The U.S. Geological Survey, in cooperation with the U.S. Department of the Army Environmental and Natural Resources Management Office of the U.S. Army Signal Center and Fort Gordon, Georgia, assessed the hyporheic zone, flood plain, soil gas, soil, and surface water for contaminants at the McCoys Creek Chemical Training Area (MCTA) at Fort Gordon, from October 2009 to September 2010. The assessment included the detection of organic contaminants in the hyporheic zone, flood plain, soil gas, and surface water. In addition, the organic contaminant assessment included the analysis of organic compounds classified as explosives and chemical agents in selected areas. Inorganic contaminants were assessed in soil and surface-water samples. The assessment was conducted to provide environmental contamination data to the U.S. Army at Fort Gordon pursuant to requirements of the Resource Conservation and Recovery Act Part B Hazardous Waste Permit process. Ten passive samplers were deployed in the hyporheic zone and flood plain, and total petroleum hydrocarbons (TPH) and octane were detected above the method detection level in every sampler. Other organic compounds detected above the method detection level in the hyporheic zone and flood-plain samplers were trichloroethylene, and cis- and trans- 1, 2-dichloroethylene. One trip blank detected TPH below the method detection level but above the nondetection level. The concentrations of TPH in the samplers were many times greater than the concentrations detected in the blank; therefore, all other TPH concentrations detected are considered to represent environmental conditions. Seventy-one soil-gas samplers were deployed in a grid pattern across the MCTA. Three trip blanks and three method blanks were used and not deployed, and TPH was detected above the method detection level in two trip blanks and one method blank. Detection of TPH was observed at all 71 samplers, but because TPH was detected in the trip and method blanks, TPH was

  16. Simulation of square wave voltammetry of three electrode reactions coupled by two reversible chemical reactions

    OpenAIRE

    Lovrić, Milivoj

    2017-01-01

    Three fast and reversible electrode reactions that are connected by two reversible chemical reactions that are permanently in the equilibrium are analysed theoretically for square wave voltammetry. The dependence of peak potentials on the dimensionless equilibrium constants of chemical reactions is calculated. The influence of the basic thermodynamic parameters on the square wave voltammetric responses is analysed.

  17. The Influence of Chemical Composition of Steels on the Numerical Simulation of a Continuesly Cast of Billet

    Directory of Open Access Journals (Sweden)

    František KAVIČKA

    2010-12-01

    Full Text Available The chemical composition of steels has significant influence on the actual concasting process, and on the accuracy of its numerical simulation and optimization. The chemical composition of steel affects the thermophysical properties (heat conductivity, specific heat capacity and density in the solid and liquid states often requires more time than the actual numerical calculation of the temperature fields of a continuously cast steel billet. Therefore, an analysis study of these thermophysical properties was conducted. The order of importance within the actual process and the accuracy of simulation were also determined. The order of significance of the chemical composition on thermophysical properties was determined with respect to the metallurgical length. The analysis was performed by means of a so-called calculation experiment, i.e. by means of the original numerical concasting model developed by the authors of this paper. It is convenient to conduct such an analysis in order to facilitate the simulation of each individual case of concasting, thus enhancing the process of optimization.

  18. An ab initio chemical reaction model for the direct simulation Monte Carlo study of non-equilibrium nitrogen flows.

    Science.gov (United States)

    Mankodi, T K; Bhandarkar, U V; Puranik, B P

    2017-08-28

    A new ab initio based chemical model for a Direct Simulation Monte Carlo (DSMC) study suitable for simulating rarefied flows with a high degree of non-equilibrium is presented. To this end, Collision Induced Dissociation (CID) cross sections for N 2 +N 2 →N 2 +2N are calculated and published using a global complete active space self-consistent field-complete active space second order perturbation theory N 4 potential energy surface and quasi-classical trajectory algorithm for high energy collisions (up to 30 eV). CID cross sections are calculated for only a selected set of ro-vibrational combinations of the two nitrogen molecules, and a fitting scheme based on spectroscopic weights is presented to interpolate the CID cross section for all possible ro-vibrational combinations. The new chemical model is validated by calculating equilibrium reaction rate coefficients that can be compared well with existing shock tube and computational results. High-enthalpy hypersonic nitrogen flows around a cylinder in the transition flow regime are simulated using DSMC to compare the predictions of the current ab initio based chemical model with the prevailing phenomenological model (the total collision energy model). The differences in the predictions are discussed.

  19. Aquatic chemistry of flood events

    Science.gov (United States)

    Klavins, Maris; Rodinov, Valery

    2015-04-01

    During flood events a major discharge of water and dissolved substances happens. However flood waters very much differs from water composition during low-water events. Aquatic chemistry of flood waters also is of importance at the calculation of loadings as well as they might have major impact on water quality in receiving water bodies (lakes, coastal waters and seas). Further flood regime of rivers is subjected to changes due to climate change and growing impact of human activities. The aim of this study is to analyse water chemical composition changes during flood events in respect to low water periods, character of high-water events and characteristics of the corresponding basin. Within this study, the concentrations of major dissolved substances in the major rivers of Latvia have been studied using monitoring data as well as field studies during high water/ low water events. As territories of studies flows of substances in river basins/subbasins with different land-use character and different anthropogenic impacts has been studied to calculate export values depending on the land-use character. Impact of relations between dissolved substances and relations in respect to budgets has been calculated. The dynamics of DOC, nutrient and major dissolved substance flows depending on landuse pattern and soil properties in Latvia has been described, including emissions by industrial and agricultural production. In these changes evidently climate change signals can be identified. The water chemistry of a large number of rivers during flood events has been determined and the possible impact of water chemical composition on DOC and nutrient flows has been evaluated. Long-term changes (1977-2013) of concentrations of dissolved substances do not follow linear trends but rather show oscillating patterns, indicating impact of natural factors, e.g. changing hydrological and climatic conditions. There is a positive correlation between content of inert dissolved substances and

  20. Acute environmental toxicity and persistence of DEM, a chemical agent simulant: Diethyl malonate. [Diethyl malonate

    Energy Technology Data Exchange (ETDEWEB)

    Cataldo, D.A.; Ligotke, M.W.; Harvey, S.D.; Fellows, R.J.; Li, Shu-mei W.; Van Voris, P.; Wentsel, R.S.

    1990-05-01

    The purpose of the following chemical simulant studies is to assess the potential acute environmental effects and persistence of diethyl malonate (DEM). Deposition velocities for DEM to soil surfaces ranged from 0.04 to 0.2 cm/sec. For foliar surfaces, deposition velocities ranged from 0.0002 cm/sec at low air concentrations to 0.05 cm/sec for high dose levels. The residence times or half-lives of DEM deposited to soils was 2 h for the fast component and 5 to 16 h for the residual material. DEM deposited to foliar surfaces also exhibited biphasic depuration. The half-life of the short residence time component ranged from 1 to 3 h, while the longer time component had half-times of 16 to 242 h. Volatilization and other depuration mechanisms reduce surface contaminant levels in both soils and foliage to less than 1% of initial dose within 96 h. DEM is not phytotoxic at foliar mass loading levels of less than 10 {mu}m/cm{sup 2}. However, severe damage is evident at mass loading levels in excess of 17 {mu}g/cm{sup 2}. Tall fescue and sagebrush were more affected than was short-needle pine, however, mass loading levels were markedly different. Regrowth of tall fescue indicated that the effects of DEM are residual, and growth rates are affected only at higher mass loadings through the second harvest. Results from in vitro testing of DEM indicated concentrations below 500 {mu}g/g dry soil generally did not negatively impact soil microbial activity. Short-term effects of DEM were more profound on soil dehydrogenase activity than on soil phosphatase activity. No enzyme inhibition or enhancement was observed after 28 days in incubation. Results of the earthworm bioassay indicate survival to be 86 and 66% at soil doses of 107 and 204 {mu}g DEM/cm{sup 2}, respectively. At higher dose level, activity or mobility was judged to be affected in over 50% of the individuals. 21 refs., 10 figs., 15 tabs.

  1. Indirect Damage of Urban Flooding: Investigation of Flood-Induced Traffic Congestion Using Dynamic Modeling

    Directory of Open Access Journals (Sweden)

    Jingxuan Zhu

    2018-05-01

    Full Text Available In many countries, industrialization has led to rapid urbanization. Increased frequency of urban flooding is one consequence of the expansion of urban areas which can seriously affect the productivity and livelihoods of urban residents. Therefore, it is of vital importance to study the effects of rainfall and urban flooding on traffic congestion and driver behavior. In this study, a comprehensive method to analyze the influence of urban flooding on traffic congestion was developed. First, a flood simulation was conducted to predict the spatiotemporal distribution of flooding based on Storm Water Management Model (SWMM and TELAMAC-2D. Second, an agent-based model (ABM was used to simulate driver behavior during a period of urban flooding, and a car-following model was established. Finally, in order to study the mechanisms behind how urban flooding affects traffic congestion, the impact of flooding on urban traffic was investigated based on a case study of the urban area of Lishui, China, covering an area of 4.4 km2. It was found that for most events, two-hour rainfall has a certain impact on traffic congestion over a five-hour period, with the greatest impact during the hour following the cessation of the rain. Furthermore, the effects of rainfall with 10- and 20-year return periods were found to be similar and small, whereas the effects with a 50-year return period were obvious. Based on a combined analysis of hydrology and transportation, the proposed methods and conclusions could help to reduce traffic congestion during flood seasons, to facilitate early warning and risk management of urban flooding, and to assist users in making informed decisions regarding travel.

  2. Forecasting characteristics of flood effects

    Science.gov (United States)

    Khamutova, M. V.; Rezchikov, A. F.; Kushnikov, V. A.; Ivaschenko, V. A.; Bogomolov, A. S.; Filimonyuk, L. Yu; Dolinina, O. N.; Kushnikova, E. V.; Shulga, T. E.; Tverdokhlebov, V. A.; Fominykh, D. S.

    2018-05-01

    The article presents the development of a mathematical model of the system dynamics. Mathematical model allows forecasting the characteristics of flood effects. Model is based on a causal diagram and is presented by a system of nonlinear differential equations. Simulated characteristics are the nodes of the diagram, and edges define the functional relationships between them. The numerical solution of the system of equations using the Runge-Kutta method was obtained. Computer experiments to determine the characteristics on different time interval have been made and results of experiments have been compared with real data of real flood. The obtained results make it possible to assert that the developed model is valid. The results of study are useful in development of an information system for the operating and dispatching staff of the Ministry of the Russian Federation for Civil Defence, Emergencies and Elimination of Consequences of Natural Disasters (EMERCOM).

  3. Computerized evaluation of flood impact

    International Nuclear Information System (INIS)

    Gagnon, J.; Quach, T.T.; Marche, C.; Lessard, G.

    1998-01-01

    A computerized evaluation process for assessing the economic impacts of a potential dam failure is described. The DOMINO software, which was developed by Hydro-Quebec, takes into account flow data from dam break simulations of floods, the territory involved, plus the economic evaluations of the real estate and infrastructures affected. Some examples of software applications and impact evaluations are presented. The principal elements involved in estimating economic or other types of impacts induced by natural flooding or dam failure, are: (1) flow forecasting, (2) defining the contour of the involved territory, and (3) accounting for the various impacts identified in the affected zone. Owing to its wide range of functions and utilities, DOMINO has proven to be a very useful, user-friendly and portable decision-making tool. 5 refs., 6 tabs

  4. The Calculation of Flooding Level using CFX Code

    International Nuclear Information System (INIS)

    Oh, Seo Bin; Kim, Keon Yeop; Lee, Hyung Ho

    2015-01-01

    The plant design should consider internal flooding by postulated pipe ruptures, component failures, actuation of spray systems, and improper system alignment. The flooding causes failure of safety-related equipment and affects the integrity of the structure. The safety-related equipment should be installed above the flood level for protection against flooding effects. Conservative estimates of the flood level are important when a DBA occurs. The flooding level can be calculated simply applying Bernoulli's equation. However, in this study, a realistic calculation is performed with ANSYS CFX code. In calculation with CFX, air-core vortex phenomena, and turbulent flow can be simulated, which cannot be calculated analytically. The flooding level is evaluated by analytical calculation and CFX analysis for an assumed condition. The flood level is calculated as 0.71m and 1.1m analytically and with CFX simulation, respectively. Comparing the analytical calculation and simulation, they are similar, but the analytical calculation is not conservative. There are many factors reducing the drainage capacity such as air-core vortex, intake of air, and turbulent flow. Therefore, in case of flood level evaluation by analytical calculation, a sufficient safety margin should be considered

  5. Measured Mass-Normalized Optical Cross Sections For Aerosolized Organophosphorus Chemical Warfare Simulants

    National Research Council Canada - National Science Library

    Gurton, Kristan P; Felton, Melvin; Dahmani, Rachid; Ligon, David

    2007-01-01

    We present newly measured results of an ongoing experimental program established to measure optical cross sections in the mid and long wave infrared for a variety of chemical and biologically based aerosols...

  6. Two Simulated-Smog Atmospheres with Different Chemical Compositions Produce Contrasting Mutagenicity in Salmonella.

    Science.gov (United States)

    Ozone (O3), particulate matter (PM), and nitrogen dioxide (NO2) are criteria pollutants used to evaluate air quality. Using a 14.3-m3 Teflon-lined smog chamber with 120 UV bulbs to simulate solar radiation, we generated 2 simulated-smog atmospheres (SSA-1 & SSA-2) with differ...

  7. Simulation of the June 11, 2010, flood along the Little Missouri River near Langley, Arkansas, using a hydrologic model coupled to a hydraulic model

    Science.gov (United States)

    Westerman, Drew A.; Clark, Brian R.

    2013-01-01

    A substantial flood event occurred on June 11, 2010, causing the Little Missouri River to flow over much of the adjacent land area, resulting in catastrophic damages. Twenty fatalities occurred and numerous automobiles, cabins, and recreational vehicles were destroyed within the U.S. Department of Agriculture-Forest Service Albert Pike Recreation Area, at a dispersed campsite area in the surrounding Ouachita National Forest lands, and at a nearby privately owned camp. The Little Missouri River streamgage near Langley, Arkansas, reached a record streamflow of 70,800 cubic feet per second and a stage (water level) of 23.5 feet at 5:30 a.m., with a 10-foot rise occurring in slightly more than 1 hour.

  8. Urban flood risk warning under rapid urbanization.

    Science.gov (United States)

    Chen, Yangbo; Zhou, Haolan; Zhang, Hui; Du, Guoming; Zhou, Jinhui

    2015-05-01

    multiple index fuzzy evaluation warning method, and referred to as DMFEW method. DMFEW first selects 5 evaluation indexes based on the DPSIR model for flood risk warning evaluation, including driving force index, pressure index, state index, impact index and response index. Based on the values of all evaluation indexes, one evaluation index for the whole system evaluation result is determined by using the fuzzy comprehensive evaluation method. The flood risk level is divided into 4 levels, having Level 1 the most serious. Every evaluation index is also categorized as 4 levels, and a linear fuzzy subjection function is proposed to do the fuzzy comprehensive evaluation. Dongguan City is used as the study case to validate the proposed method. The urban flood forecasting model is set up with the topographic data, the city map, the underground pipelines and land cover types, and two flood events are simulated with observed precipitation, one is interpolated from the rain gauges data, and another is estimated by digital weather radar. The simulated results are compared with the investigated water depth, and the results show the model has very good performances. The results are further used for the flood risk warning simulation, and are very reasonable. Copyright © 2015 Elsevier Inc. All rights reserved.

  9. Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

    Science.gov (United States)

    Sornborger, Andrew T.; Stancil, Phillip; Geller, Michael R.

    2018-05-01

    One of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputed potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born-Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈ 10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3-8 channels and circuit depths < 1000.

  10. Improved Efficiency of Miscible CO2 Floods and Enhanced Prospects for CO2 Flooding Heterogeneous Reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Grigg, Reid B.; Schechter, David S.

    1999-10-15

    The goal of this project is to improve the efficiency of miscible CO2 floods and enhance the prospects for flooding heterogeneous reservoirs. This report provides results of the second year of the three-year project that will be exploring three principles: (1) Fluid and matrix interactions (understanding the problems). (2) Conformance control/sweep efficiency (solving the problems. 3) Reservoir simulation for improved oil recovery (predicting results).

  11. Using microfinance for flood mitigation and climate adaptation in Bangladesh

    NARCIS (Netherlands)

    Srivatsav, N.; Jaxa-Rozen, M.; Van Staveren, R.

    2014-01-01

    This draft paper describes the preliminary outcomes of a model-based investigation of longterm strategies to reduce the impacts of coastal flooding in Bangladesh. Specifically, a system dynamics model was constructed to simulate the effect of flood mitigation methods on the population, rural

  12. Hydrogen production from natural gas using an iron-based chemical looping technology: Thermodynamic simulations and process system analysis

    International Nuclear Information System (INIS)

    Kathe, Mandar V.; Empfield, Abbey; Na, Jing; Blair, Elena; Fan, Liang-Shih

    2016-01-01

    Highlights: • Design of iron-based chemical looping process using moving bed for H_2 from CH_4. • Auto-thermal operation design using thermodynamic rationale for 90% carbon capture. • Cold gas efficiency: 5% points higher than Steam Methane Reforming baseline case. • Net thermal efficiency: 6% points higher than Steam Methane Reforming baseline case. • Sensitivity analysis: Energy recovery scheme, operating pressure, no carbon capture. - Abstract: Hydrogen (H_2) is a secondary fuel derived from natural gas. Currently, H_2 serves as an important component in refining operations, fertilizer production, and is experiencing increased utilization in the transportation industry as a clean combustion fuel. In recent years, industry and academia have focused on developing technology that reduces carbon emissions. As a result, there has been an increase in the technological developments for producing H_2 from natural gas. These technologies aim to minimize the cost increment associated with clean energy production. The natural gas processing chemical looping technology, developed at The Ohio State University (OSU), employs an iron-based oxygen carrier and a novel gas–solid counter-current moving bed reactor for H_2 production. Specifically, this study examines the theoretical thermodynamic limits for full conversion of natural gas through iron-based oxygen carrier reactions with methane (CH_4), by utilizing simulations generated with ASPEN modeling software. This study initially investigates the reducer and the oxidizer thermodynamic phase diagrams then derives an optimal auto-thermal operating condition for the complete loop simulation. This complete loop simulation is initially normalized for analysis on the basis of one mole of carbon input from natural gas. The H_2 production rate is then scaled to match that of the baseline study, using a full-scale ASPEN simulation for computing cooling loads, water requirements and n