Modeling and simulation of reactive flows
Bortoli, De AL; Pereira, Felipe
2015-01-01
Modelling and Simulation of Reactive Flows presents information on modeling and how to numerically solve reactive flows. The book offers a distinctive approach that combines diffusion flames and geochemical flow problems, providing users with a comprehensive resource that bridges the gap for scientists, engineers, and the industry. Specifically, the book looks at the basic concepts related to reaction rates, chemical kinetics, and the development of reduced kinetic mechanisms. It considers the most common methods used in practical situations, along with equations for reactive flows, and va
6th International Workshop on Model Reduction in Reactive Flow
2018-01-01
reduction in reacting flow . Registration DateRegistration TypeFirst Name Middle NameLast Name Affiliation US State /Canadian ProvinceState/Province/R gion...Report: 6th International Workshop on Model Reduction in Reactive Flow The views, opinions and/or findings contained in this report are those of the...Agreement Number: W911NF-17-1-0121 Organization: Princeton University Title: 6th International Workshop on Model Reduction in Reactive Flow Report Term
Chemical reactor modeling multiphase reactive flows
Jakobsen, Hugo A
2014-01-01
Chemical Reactor Modeling closes the gap between Chemical Reaction Engineering and Fluid Mechanics. The second edition consists of two volumes: Volume 1: Fundamentals. Volume 2: Chemical Engineering Applications In volume 1 most of the fundamental theory is presented. A few numerical model simulation application examples are given to elucidate the link between theory and applications. In volume 2 the chemical reactor equipment to be modeled are described. Several engineering models are introduced and discussed. A survey of the frequently used numerical methods, algorithms and schemes is provided. A few practical engineering applications of the modeling tools are presented and discussed. The working principles of several experimental techniques employed in order to get data for model validation are outlined. The monograph is based on lectures regularly taught in the fourth and fifth years graduate courses in transport phenomena and chemical reactor modeling, and in a post graduate course in modern reactor m...
Predictive model for convective flows induced by surface reactivity contrast
Davidson, Scott M.; Lammertink, Rob G. H.; Mani, Ali
2018-05-01
Concentration gradients in a fluid adjacent to a reactive surface due to contrast in surface reactivity generate convective flows. These flows result from contributions by electro- and diffusio-osmotic phenomena. In this study, we have analyzed reactive patterns that release and consume protons, analogous to bimetallic catalytic conversion of peroxide. Similar systems have typically been studied using either scaling analysis to predict trends or costly numerical simulation. Here, we present a simple analytical model, bridging the gap in quantitative understanding between scaling relations and simulations, to predict the induced potentials and consequent velocities in such systems without the use of any fitting parameters. Our model is tested against direct numerical solutions to the coupled Poisson, Nernst-Planck, and Stokes equations. Predicted slip velocities from the model and simulations agree to within a factor of ≈2 over a multiple order-of-magnitude change in the input parameters. Our analysis can be used to predict enhancement of mass transport and the resulting impact on overall catalytic conversion, and is also applicable to predicting the speed of catalytic nanomotors.
Modeling of flow and reactive transport in IPARS
Wheeler, Mary Fanett; Sun, Shuyu; Thomas, Sunil G.
2012-01-01
In this work, we describe a number of efficient and locally conservative methods for subsurface flow and reactive transport that have been or are currently being implemented in the IPARS (Integrated Parallel and Accurate Reservoir Simulator
Modeling of flow and reactive transport in IPARS
Wheeler, Mary Fanett
2012-03-11
In this work, we describe a number of efficient and locally conservative methods for subsurface flow and reactive transport that have been or are currently being implemented in the IPARS (Integrated Parallel and Accurate Reservoir Simulator). For flow problems, we consider discontinuous Galerkin (DG) methods and mortar mixed finite element methods. For transport problems, we employ discontinuous Galerkin methods and Godunov-mixed methods. For efficient treatment of reactive transport simulations, we present a number of state-of-the-art dynamic mesh adaptation strategies and implementations. Operator splitting approaches and iterative coupling techniques are also discussed. Finally, numerical examples are provided to illustrate the capability of IPARS to treat general biogeochemistry as well as the effectivity of mesh adaptations with DG for transport. © 2012 Bentham Science Publishers. All rights reserved.
Modeling turbulence structure. Chemical kinetics interaction in turbulent reactive flows
Energy Technology Data Exchange (ETDEWEB)
Magnussen, B F [The Norwegian Univ. of Science and Technology, Trondheim (Norway)
1998-12-31
The challenge of the mathematical modelling is to transfer basic physical knowledge into a mathematical formulation such that this knowledge can be utilized in computational simulation of practical problems. The combustion phenomena can be subdivided into a large set of interconnected phenomena like flow, turbulence, thermodynamics, chemical kinetics, radiation, extinction, ignition etc. Combustion in one application differs from combustion in another area by the relative importance of the various phenomena. The difference in fuel, geometry and operational conditions often causes the differences. The computer offers the opportunity to treat the individual phenomena and their interactions by models with wide operational domains. The relative magnitude of the various phenomena therefore becomes the consequence of operational conditions and geometry and need not to be specified on the basis of experience for the given problem. In mathematical modelling of turbulent combustion, one of the big challenges is how to treat the interaction between the chemical reactions and the fluid flow i.e. the turbulence. Different scientists adhere to different concepts like the laminar flamelet approach, the pdf approach of the Eddy Dissipation Concept. Each of these approaches offers different opportunities and problems. All these models are based on a sound physical basis, however none of these have general validity in taking into consideration all detail of the physical chemical interaction. The merits of the models can only be judged by their ability to reproduce physical reality and consequences of operational and geometric conditions in a combustion system. The presentation demonstrates and discusses the development of a coherent combustion technology for energy conversion and safety based on the Eddy Dissipation Concept by Magnussen. (author) 30 refs.
Modeling turbulence structure. Chemical kinetics interaction in turbulent reactive flows
Energy Technology Data Exchange (ETDEWEB)
Magnussen, B.F. [The Norwegian Univ. of Science and Technology, Trondheim (Norway)
1997-12-31
The challenge of the mathematical modelling is to transfer basic physical knowledge into a mathematical formulation such that this knowledge can be utilized in computational simulation of practical problems. The combustion phenomena can be subdivided into a large set of interconnected phenomena like flow, turbulence, thermodynamics, chemical kinetics, radiation, extinction, ignition etc. Combustion in one application differs from combustion in another area by the relative importance of the various phenomena. The difference in fuel, geometry and operational conditions often causes the differences. The computer offers the opportunity to treat the individual phenomena and their interactions by models with wide operational domains. The relative magnitude of the various phenomena therefore becomes the consequence of operational conditions and geometry and need not to be specified on the basis of experience for the given problem. In mathematical modelling of turbulent combustion, one of the big challenges is how to treat the interaction between the chemical reactions and the fluid flow i.e. the turbulence. Different scientists adhere to different concepts like the laminar flamelet approach, the pdf approach of the Eddy Dissipation Concept. Each of these approaches offers different opportunities and problems. All these models are based on a sound physical basis, however none of these have general validity in taking into consideration all detail of the physical chemical interaction. The merits of the models can only be judged by their ability to reproduce physical reality and consequences of operational and geometric conditions in a combustion system. The presentation demonstrates and discusses the development of a coherent combustion technology for energy conversion and safety based on the Eddy Dissipation Concept by Magnussen. (author) 30 refs.
Kumar, K.
2012-01-01
The thesis deals with the upscaling of reactive flows in complex geometry. The reactions which may include deposition or dissolution take place at a part of the boundary and depending on the size of the reaction domain, the changes in the pore structure that are due to the deposition process may or
Thermal chemical-mechanical reactive flow model of shock initiation in solid explosives
International Nuclear Information System (INIS)
Nicholls, A.L. III; Tarver, C.M.
1998-01-01
The three dimensional Arbitrary Lagrange Eulerian hydrodynamic computer code ALE3D with fully coupled thermal-chemical-mechanical material models provides the framework for the development of a physically realistic model of shock initiation and detonation of solid explosives. The processes of hot spot formation during shock compression, subsequent ignition of reaction or failure to react, growth of reaction in individual hot spots, and coalescence of reacting hot spots during the transition to detonation can now be modeled using Arrhenius chemical kinetic rate laws and heat transfer to propagate the reactive flow. This paper discusses the growth rates of reacting hot spots in HMX and TATB and their coalescence during shock to detonation transition. Hot spot deflagration rates are found to be fast enough to consume explosive particles less than 10 mm in diameter during typical shock duration times, but larger particles must fragment and create more reactive surface area in order to be rapidly consumed
Shock loading and reactive flow modeling studies of void induced AP/AL/HTPB propellant
Miller, P. J.; Lindfors, A. J.
1998-07-01
The unreactive Hugoniot of a class 1.3 propellant has been investigated by shock compression experiments. The results are analyzed in terms of an ignition and growth reactive flow model using the DYNA2D hydrocode. The calculated shock ignition parameters of the model show a linear dependence on measured void volume which appears to reproduce the observed gauge records well. Shock waves were generated by impact in a 75 mm single stage powder gun. Manganin and PVDF pressure gauges provided pressure-time histories to 140 kbar. The propellants were of similar formulation differing only in AP particle size and the addition of a burn rate modifer (Fe2O3) from that of previous investigations. Results show neglible effect of AP particle size on shock response in contrast to the addition of Fe2O3 which appears to `stiffen' the unreactive Hugoniot and enhances significantly the reactive rates under shock. The unreactive Hugoniot, within experimental error, compares favorably to the solid AP Hugoniot. Shock experiments were performed on propellant samples strained to induce insitu voids. The material state was quantified by uniaxial tension dialatometry. The experimental records show a direct correlation between void volume (0 to 1.7%) and chemical reactivity behind the shock front. These results are discussed in terms of `hot spot' ignition resulting from the shock collapse of the voids.
International Nuclear Information System (INIS)
Yabusaki, Steven B.; Fang, Yilin; Williams, Kenneth H.; Murray, Christopher J.; Ward, Anderson L.; Dayvault, Richard; Waichler, Scott R.; Newcomer, Darrell R.; Spane, Frank A.; Long, Philip E.
2011-01-01
Field experiments at a former uranium mill tailings site have identified the potential for stimulating indigenous bacteria to catalyze the conversion of aqueous uranium in the +6 oxidation state to immobile solid-associated uranium in the +4 oxidation state. This effectively removes uranium from solution resulting in groundwater concentrations below actionable standards. Three-dimensional, coupled variably-saturated flow and biogeochemical reactive transport modeling of a 2008 in situ uranium bioremediation field experiment is used to better understand the interplay of transport rates and biogeochemical reaction rates that determine the location and magnitude of key reaction products. A comprehensive reaction network, developed largely through previous 1-D modeling studies, was used to simulate the impacts on uranium behavior of pulsed acetate amendment, seasonal water table variation, spatially-variable physical (hydraulic conductivity, porosity) and geochemical (reactive surface area) material properties. A principal challenge is the mechanistic representation of biologically-mediated terminal electron acceptor process (TEAP) reactions whose products significantly alter geochemical controls on uranium mobility through increases in pH, alkalinity, exchangeable cations, and highly reactive reduction products. In general, these simulations of the 2008 Big Rusty acetate biostimulation field experiment in Rifle, Colorado confirmed previously identified behaviors including (1) initial dominance by iron reducing bacteria that concomitantly reduce aqueous U(VI), (2) sulfate reducing bacteria that become dominant after ∼30 days and outcompete iron reducers for the acetate electron donor, (3) continuing iron-reducer activity and U(VI) bioreduction during dominantly sulfate reducing conditions, and (4) lower apparent U(VI) removal from groundwater during dominantly sulfate reducing conditions. New knowledge on simultaneously active metal and sulfate reducers has been
Reactive flow modeling of initial density effect on divergence JB-9014 detonation driving
Yu, Xin; Huang, Kuibang; Zheng, Miao
2016-06-01
A serious of experiments were designed and the results were represented in this paper, in which 2mm thickness cooper shells were impacted by explosives named JB-9014 with different densities, and the surface velocities of the OFHC shells were measured. The comparison of experimental data shows the free surface velocity of the OFHC shell increase with the IHE density. Numerical modeling, which occupied phenomenological reactive flow rate model using the two-dimensional Lagrange hydrodynamic code, were carried out to simulate the above experiments, and empirical adjustments on detonation velocity and pressure and Pier Tang's adjustments on EOS of detonation products were both introduced in our numerical simulation work. The computational results agree well with that of experiments, and the numerical results with original parameters of products and the adjusted ones of JB-9014 could describe the density effect distinctly.
Improved Reactive Flow Modeling of the LX-17 Double Shock Experiments
Rehagen, Thomas J.; Vitello, Peter
2017-06-01
Over driven double shock experiments provide a measurement of the properties of the reaction product states of the insensitive high explosive LX-17 (92.5% TATB and 7.5% Kel-F by weight). These experiments used two flyer materials mounted on the end of a projectile to send an initial shock through the LX-17, followed by a second shock of a higher magnitude into the detonation products. In the experiments, the explosive was initially driven by the flyer plate to pressures above the Chapman-Jouguet state. The particle velocity history was recorded by Photonic Doppler Velocimetry (PDV) probes pointing at an aluminum foil coated LiF window. The PDV data shows a sharp initial shock and decay, followed by a rounded second shock. Here, the experimental results are compared to 2D and 3D Cheetah reactive flow modeling. Our default Cheetah reactive flow model fails to accurately reproduce the decay of the first shock or the curvature or strength of the second shock. A new model is proposed in which the carbon condensate produced in the reaction zone is controlled by a kinetic rate. This allows the carbon condensate to be initially out of chemical equilibrium with the product gas. This new model reproduces the initial detonation peak and decay, and matches the curvature of the second shock, however, it still over-predicts the strength of the second shock. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344.
Image-based modeling of flow and reactive transport in porous media
Qin, Chao-Zhong; Hoang, Tuong; Verhoosel, Clemens V.; Harald van Brummelen, E.; Wijshoff, Herman M. A.
2017-04-01
Due to the availability of powerful computational resources and high-resolution acquisition of material structures, image-based modeling has become an important tool in studying pore-scale flow and transport processes in porous media [Scheibe et al., 2015]. It is also playing an important role in the upscaling study for developing macroscale porous media models. Usually, the pore structure of a porous medium is directly discretized by the voxels obtained from visualization techniques (e.g. micro CT scanning), which can avoid the complex generation of computational mesh. However, this discretization may considerably overestimate the interfacial areas between solid walls and pore spaces. As a result, it could impact the numerical predictions of reactive transport and immiscible two-phase flow. In this work, two types of image-based models are used to study single-phase flow and reactive transport in a porous medium of sintered glass beads. One model is from a well-established voxel-based simulation tool. The other is based on the mixed isogeometric finite cell method [Hoang et al., 2016], which has been implemented in the open source Nutils (http://www.nutils.org). The finite cell method can be used in combination with isogeometric analysis to enable the higher-order discretization of problems on complex volumetric domains. A particularly interesting application of this immersed simulation technique is image-based analysis, where the geometry is smoothly approximated by segmentation of a B-spline level set approximation of scan data [Verhoosel et al., 2015]. Through a number of case studies by the two models, we will show the advantages and disadvantages of each model in modeling single-phase flow and reactive transport in porous media. Particularly, we will highlight the importance of preserving high-resolution interfaces between solid walls and pore spaces in image-based modeling of porous media. References Hoang, T., C. V. Verhoosel, F. Auricchio, E. H. van
Spiteri, C.; Slomp, C.P.; Charette, M.A.; Tuncay, K.; Meile, C.
2008-01-01
A two-dimensional (2D) reactive transport model is used to investigate the controls on nutrient (NO3-, NH4+, PO4) dynamics in a coastal aquifer. The model couples density-dependent flow to a reaction network which includes oxic degradation of organic matter, denitrification, iron oxide reduction,
PDF methods for turbulent reactive flows
Hsu, Andrew T.
1995-01-01
Viewgraphs are presented on computation of turbulent combustion, governing equations, closure problem, PDF modeling of turbulent reactive flows, validation cases, current projects, and collaboration with industry and technology transfer.
A Generalized Hybrid Multiscale Modeling Approach for Flow and Reactive Transport in Porous Media
Yang, X.; Meng, X.; Tang, Y. H.; Guo, Z.; Karniadakis, G. E.
2017-12-01
Using emerging understanding of biological and environmental processes at fundamental scales to advance predictions of the larger system behavior requires the development of multiscale approaches, and there is strong interest in coupling models at different scales together in a hybrid multiscale simulation framework. A limited number of hybrid multiscale simulation methods have been developed for subsurface applications, mostly using application-specific approaches for model coupling. The proposed generalized hybrid multiscale approach is designed with minimal intrusiveness to the at-scale simulators (pre-selected) and provides a set of lightweight C++ scripts to manage a complex multiscale workflow utilizing a concurrent coupling approach. The workflow includes at-scale simulators (using the lattice-Boltzmann method, LBM, at the pore and Darcy scale, respectively), scripts for boundary treatment (coupling and kriging), and a multiscale universal interface (MUI) for data exchange. The current study aims to apply the generalized hybrid multiscale modeling approach to couple pore- and Darcy-scale models for flow and mixing-controlled reaction with precipitation/dissolution in heterogeneous porous media. The model domain is packed heterogeneously that the mixing front geometry is more complex and not known a priori. To address those challenges, the generalized hybrid multiscale modeling approach is further developed to 1) adaptively define the locations of pore-scale subdomains, 2) provide a suite of physical boundary coupling schemes and 3) consider the dynamic change of the pore structures due to mineral precipitation/dissolution. The results are validated and evaluated by comparing with single-scale simulations in terms of velocities, reactive concentrations and computing cost.
Energy Technology Data Exchange (ETDEWEB)
Kittell, David E.; Cummock, Nick R.; Son, Steven F. [School of Mechanical Engineering, Purdue University, West Lafayette, Indiana 47907 (United States)
2016-08-14
Small scale characterization experiments using only 1–5 g of a baseline ammonium nitrate plus fuel oil (ANFO) explosive are discussed and simulated using an ignition and growth reactive flow model. There exists a strong need for the small scale characterization of non-ideal explosives in order to adequately survey the wide parameter space in sample composition, density, and microstructure of these materials. However, it is largely unknown in the scientific community whether any useful or meaningful result may be obtained from detonation failure, and whether a minimum sample size or level of confinement exists for the experiments. In this work, it is shown that the parameters of an ignition and growth rate law may be calibrated using the small scale data, which is obtained from a 35 GHz microwave interferometer. Calibration is feasible when the samples are heavily confined and overdriven; this conclusion is supported with detailed simulation output, including pressure and reaction contours inside the ANFO samples. The resulting shock wave velocity is most likely a combined chemical-mechanical response, and simulations of these experiments require an accurate unreacted equation of state (EOS) in addition to the calibrated reaction rate. Other experiments are proposed to gain further insight into the detonation failure data, as well as to help discriminate between the role of the EOS and reaction rate in predicting the measured outcome.
DEFF Research Database (Denmark)
Sonnenborg, Torben Obel; Engesgaard, Peter Knudegaard; Rosbjerg, Dan
1996-01-01
An application of an inverse flow and transport model to a contaminated aquifer is presented. The objective of the study is to identify physical and nonreactive flow and transport parameters through an optimization approach. The approach can be classified as a statistical procedure, where a flow...... to steady state versus transient flow conditions and to the amount of hydraulic and solute data used is investigated. The flow parameters, transmissivity and leakage factor, are estimated simultaneously with the transport parameters: source strength, porosity, and longitudinal dispersivity. This paper...
International Nuclear Information System (INIS)
Moussiere, S.; Roubaud, A.; Fournel, B.; Joussot-Dubien, C.; Boutin, O.; Guichardon, P.
2012-01-01
In order to design and define appropriate dimensions for a supercritical oxidation reactor, a comparative 2D and 3D simulation of the fluid dynamics and heat transfer during an oxidation process has been performed. The solver used is a commercial code, Fluent 6.2 (R). The turbulent flow field in the reactor, created by the stirrer, is taken into account with a k-omega model and a swirl imposed to the fluid. In the 3D case the rotation of the stirrer can be modelled using the sliding mesh model and the moving reference frame model. This work allows comparing 2D and 3D velocity and heat transfer calculations. The predicted values (mainly species concentrations and temperature profiles) are of the same order in both cases. The reactivity of the system is taken into account with a classical Eddy Dissipation Concept combustion model. Comparisons with experimental temperature measurements validate the ability of the CFD modelling to simulate the supercritical water oxidation reactive medium. Results indicate that the flow can be considered as plug flow-like and that heat transfer is strongly enhanced by the stirring. (authors)
On the thermal stability for a model reactive flow with viscous dissipation
International Nuclear Information System (INIS)
Okoya, S.S.
2006-12-01
We study the thermal stability of a reactive flow of a third-grade fluid with viscous heating and chemical reaction between two horizontal flat plates, where the top is moving with a uniform speed and the bottom plate is fixed in the presence of an imposed pressure gradient. This study is a natural continuation of earlier work on rectilinear shear flows. The governing equations are non-dimensionalized and the resulting system of equations are not coupled. An approximate explicit solution is found for the flow velocity using homotopy - perturbation technique and the range of validity is determined. After the velocity is known, the heat transport may be analyzed. It is found that the temperature solution depends on the non-Newtonian material parameter of the fluid, Λ, viscous heating parameter, Γ, and an exponent, m. Attention is focused upon the disappearance of criticality of the solution set {β, δ, θ max } for various values of Λ, Γ and m, and the numerical computations are presented graphically to show salient features of the solution set. (author)
Eckert, Dominik; Kürzinger, Petra; Bauer, Robert; Griebler, Christian; Cirpka, Olaf A.
2015-01-01
Biodegradation in contaminated aquifers has been shown to be most pronounced at the fringe of contaminant plumes, where mixing of contaminated water and ambient groundwater, containing dissolved electron acceptors, stimulates microbial activity. While physical mixing of contaminant and electron acceptor by transverse dispersion has been shown to be the major bottleneck for biodegradation in steady-state plumes, so far little is known on the effect of flow and transport dynamics (caused, e.g., by a seasonally fluctuating groundwater table) on biodegradation in these systems. Towards this end we performed experiments in quasi-two-dimensional flow-through microcosms on aerobic toluene degradation by Pseudomonas putida F1. Plume dynamics were simulated by vertical alteration of the toluene plume position and experimental results were analyzed by reactive-transport modeling. We found that, even after disappearance of the toluene plume for two weeks, the majority of microorganisms stayed attached to the sediment and regained their full biodegradation potential within two days after reappearance of the toluene plume. Our results underline that besides microbial growth, also maintenance and dormancy are important processes that affect biodegradation performance under transient environmental conditions and therefore deserve increased consideration in future reactive-transport modeling.
Eckert, Dominik; Kürzinger, Petra; Bauer, Robert; Griebler, Christian; Cirpka, Olaf A
2015-01-01
Biodegradation in contaminated aquifers has been shown to be most pronounced at the fringe of contaminant plumes, where mixing of contaminated water and ambient groundwater, containing dissolved electron acceptors, stimulates microbial activity. While physical mixing of contaminant and electron acceptor by transverse dispersion has been shown to be the major bottleneck for biodegradation in steady-state plumes, so far little is known on the effect of flow and transport dynamics (caused, e.g., by a seasonally fluctuating groundwater table) on biodegradation in these systems. Towards this end we performed experiments in quasi-two-dimensional flow-through microcosms on aerobic toluene degradation by Pseudomonas putida F1. Plume dynamics were simulated by vertical alteration of the toluene plume position and experimental results were analyzed by reactive-transport modeling. We found that, even after disappearance of the toluene plume for two weeks, the majority of microorganisms stayed attached to the sediment and regained their full biodegradation potential within two days after reappearance of the toluene plume. Our results underline that besides microbial growth, also maintenance and dormancy are important processes that affect biodegradation performance under transient environmental conditions and therefore deserve increased consideration in future reactive-transport modeling. Copyright © 2014 Elsevier B.V. All rights reserved.
Yeh, G. T.; Tsai, C. H.
2015-12-01
This paper presents the development of a THMC (thermal-hydrology-mechanics-chemistry) process model in variably saturated media. The governing equations for variably saturated flow and reactive chemical transport are obtained based on the mass conservation principle of species transport supplemented with Darcy's law, constraint of species concentration, equation of states, and constitutive law of K-S-P (Conductivity-Degree of Saturation-Capillary Pressure). The thermal transport equation is obtained based on the conservation of energy. The geo-mechanic displacement is obtained based on the assumption of equilibrium. Conventionally, these equations have been implicitly coupled via the calculations of secondary variables based on primary variables. The mechanisms of coupling have not been obvious. In this paper, governing equations are explicitly coupled for all primary variables. The coupling is accomplished via the storage coefficients, transporting velocities, and conduction-dispersion-diffusion coefficient tensor; one set each for every primary variable. With this new system of equations, the coupling mechanisms become clear. Physical interpretations of every term in the coupled equations will be discussed. Examples will be employed to demonstrate the intuition and superiority of these explicit coupling approaches. Keywords: Variably Saturated Flow, Thermal Transport, Geo-mechanics, Reactive Transport.
Spiteri, Claudette; Slomp, Caroline P.; Charette, Matthew A.; Tuncay, Kagan; Meile, Christof
2008-07-01
A two-dimensional (2D) reactive transport model is used to investigate the controls on nutrient ( NO3-, NH4+, PO 4) dynamics in a coastal aquifer. The model couples density-dependent flow to a reaction network which includes oxic degradation of organic matter, denitrification, iron oxide reduction, nitrification, Fe 2+ oxidation and sorption of PO 4 onto iron oxides. Porewater measurements from a well transect at Waquoit Bay, MA, USA indicate the presence of a reducing plume with high Fe 2+, NH4+, DOC (dissolved organic carbon) and PO 4 concentrations overlying a more oxidizing NO3--rich plume. These two plumes travel nearly conservatively until they start to overlap in the intertidal coastal sediments prior to discharge into the bay. In this zone, the aeration of the surface beach sediments drives nitrification and allows the precipitation of iron oxide, which leads to the removal of PO 4 through sorption. Model simulations suggest that removal of NO3- through denitrification is inhibited by the limited overlap between the two freshwater plumes, as well as by the refractory nature of terrestrial DOC. Submarine groundwater discharge is a significant source of NO3- to the bay.
International Nuclear Information System (INIS)
Zheng, L.; Samper, J.
2005-01-01
Full text of publication follows: Double porosity, double permeability and dual continuum models (DCM) are widely used for modeling preferential water flow and mass transport in unsaturated and fractured media. Here we present a DCM of fully coupled non-isothermal multiphase flow and reactive transport model for the FEBEX compacted bentonite, a material which exhibits a double porosity behavior.. FEBEX (Full-scale Engineered Barrier EXperiment) is a demonstration and research project dealing with the bentonite engineered barrier designed for sealing and containment of a high level radioactive waste repository. Our DCM considers inter-aggregate macro-pores, and intra-aggregate and interlayer micro-pores. Two types of DCMs are tested: the dual continuum connected matrix (DCCM) and the dual continuum dis connected matrix (DCDM). Liquid flow in macro-pores is described with a mass conservation equation accounting for Darcian flow, chemical and thermal osmosis. In DCCM, water flux in micropores is calculated with a modified Darcy's law by adding a chemical osmosis term. A simple mass balance equation is used for DCDM which contains a storage and a water exchange term for water in micropores. A mixed type of water exchange term is adopted which includes a second order term accounting for water transfer due to the difference in liquid pressure and a first order term accounting for the gradient in chemical osmosis pressure. Equations of mass conservation for liquid, gas and heat in macro-pores and liquid mass conservation in micropores are solved by using a Newton-Raphson method. Two transport equations with a coupling interaction term are used to describe solute transport in macro- and micro-pores. The coupling term contains a first order diffusion term and a convection term (solute exchange due to water exchange). Transport equations as well as chemical reactions in the two domains are solved by means of a sequential iteration method. All these feature have been
Generalized Riemann problem for reactive flows
International Nuclear Information System (INIS)
Ben-Artzi, M.
1989-01-01
A generalized Riemann problem is introduced for the equations of reactive non-viscous compressible flow in one space dimension. Initial data are assumed to be linearly distributed on both sides of a jump discontinuity. The resolution of the singularity is studied and the first-order variation (in time) of flow variables is given in exact form. copyright 1989 Academic Press, Inc
A novel deep reactive ion etched (DRIE) glass micro-model for two-phase flow experiments.
Karadimitriou, N K; Joekar-Niasar, V; Hassanizadeh, S M; Kleingeld, P J; Pyrak-Nolte, L J
2012-09-21
In the last few decades, micro-models have become popular experimental tools for two-phase flow studies. In this work, the design and fabrication of an innovative, elongated, glass-etched micro-model with dimensions of 5 × 35 mm(2) and constant depth of 43 microns is described. This is the first time that a micro-model with such depth and dimensions has been etched in glass by using a dry etching technique. The micro-model was visualized by a novel setup that allowed us to monitor and record the distribution of fluids throughout the length of the micro-model continuously. Quasi-static drainage experiments were conducted in order to obtain equilibrium data points that relate capillary pressure to phase saturation. By measuring the flow rate of water through the flow network for known pressure gradients, the intrinsic permeability of the micro-model's flow network was also calculated. The experimental results were used to calibrate a pore-network model and test its validity. Finally, we show that glass-etched micro-models can be valuable tools in single and/or multi-phase flow studies and their applications.
A novel Deep Reactive Ion Etched (DRIE) glass micro-model for two-phase flow experiments
Karadimitriou, N.K.; Joekar-Niasar, V.; Hassanizadeh, S.M.; Kleingeld, P.J.; Pyrak-Nolte, L.J.
2012-01-01
In the last few decades, micro-models have become popular experimental tools for two-phase flow studies. In this work, the design and fabrication of an innovative, elongated, glass-etched micromodel with dimensions of 5 6 35 mm2 and constant depth of 43 microns is described. This is the
Energy Technology Data Exchange (ETDEWEB)
Lichtner, Peter C. [OFM Research, Redmond, WA (United States); Hammond, Glenn E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lu, Chuan [Idaho National Lab. (INL), Idaho Falls, ID (United States); Karra, Satish [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Bisht, Gautam [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Andre, Benjamin [National Center for Atmospheric Research, Boulder, CO (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Mills, Richard [Intel Corporation, Portland, OR (United States); Univ. of Tennessee, Knoxville, TN (United States); Kumar, Jitendra [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2015-01-20
PFLOTRAN solves a system of generally nonlinear partial differential equations describing multi-phase, multicomponent and multiscale reactive flow and transport in porous materials. The code is designed to run on massively parallel computing architectures as well as workstations and laptops (e.g. Hammond et al., 2011). Parallelization is achieved through domain decomposition using the PETSc (Portable Extensible Toolkit for Scientific Computation) libraries for the parallelization framework (Balay et al., 1997). PFLOTRAN has been developed from the ground up for parallel scalability and has been run on up to 218 processor cores with problem sizes up to 2 billion degrees of freedom. Written in object oriented Fortran 90, the code requires the latest compilers compatible with Fortran 2003. At the time of this writing this requires gcc 4.7.x, Intel 12.1.x and PGC compilers. As a requirement of running problems with a large number of degrees of freedom, PFLOTRAN allows reading input data that is too large to fit into memory allotted to a single processor core. The current limitation to the problem size PFLOTRAN can handle is the limitation of the HDF5 file format used for parallel IO to 32 bit integers. Noting that 2^{32} = 4; 294; 967; 296, this gives an estimate of the maximum problem size that can be currently run with PFLOTRAN. Hopefully this limitation will be remedied in the near future.
Directory of Open Access Journals (Sweden)
Aouss Gabash
2016-02-01
Full Text Available It has recently been shown that using battery storage systems (BSSs to provide reactive power provision in a medium-voltage (MV active distribution network (ADN with embedded wind stations (WSs can lead to a huge amount of reverse power to an upstream transmission network (TN. However, unity power factors (PFs of WSs were assumed in those studies to analyze the potential of BSSs. Therefore, in this paper (Part-I, we aim to further explore the pure reactive power potential of WSs (i.e., without BSSs by investigating the issue of variable reverse power flow under different limits on PFs in an electricity market model. The main contributions of this work are summarized as follows: (1 Introducing the reactive power capability of WSs in the optimization model of the active-reactive optimal power flow (A-R-OPF and highlighting the benefits/impacts under different limits on PFs. (2 Investigating the impacts of different agreements for variable reverse power flow on the operation of an ADN under different demand scenarios. (3 Derivation of the function of reactive energy losses in the grid with an equivalent-π circuit and comparing its value with active energy losses. (4 Balancing the energy curtailment of wind generation, active-reactive energy losses in the grid and active-reactive energy import-export by a meter-based method. In Part-II, the potential of the developed model is studied through analyzing an electricity market model and a 41-bus network with different locations of WSs.
International Nuclear Information System (INIS)
Vandersall, Kevin S; Garcia, Frank; Fried, Laurence E; Tarver, Craig M
2014-01-01
Experimental data from measurements of the reacted state of an energetic material are desired to incorporate reacted states in modeling by computer codes. In a case such as LX-17 (92.5% TATB and 7.5% Kel-F by weight), where the time dependent kinetics of reaction is still not fully understood and the reacted state may evolve over time, this information becomes even more vital. Experiments were performed to measure the reacted state of LX-17 using a double shock method involving the use of two flyer materials (with known properties) mounted on the projectile that send an initial shock through the material close to or above the Chapman-Jouguet (CJ) state followed by a second shock at a higher magnitude into the detonated material. By measuring the parameters of the first and second shock waves, information on the reacted state can be obtained. The LX-17 detonation reaction zone profiles plus the arrival times and amplitudes of reflected shocks in LX-17 detonation reaction products were measured using Photonic Doppler Velocimetry (PDV) probes and an aluminum foil coated LiF window. A discussion of this work will include the experimental parameters, velocimetry profiles, data interpretation, reactive CHEETAH and Ignition and Growth modeling, as well as detail on possible future experiments.
International Nuclear Information System (INIS)
Cheng, Cheng; Zhang, Xiaobing
2016-01-01
Highlights: • A novel two-dimensional two-phase flow model is established for the high-low pressure chambers system. • A strong packing of particles is observed at the projectile base and will cause the pressure to rise faster. • Different length–diameter ratios can affect the flow behavior through the vent-holes obviously. • The muzzle velocity decreases with the length–diameter ratio of the high-pressure chamber. - Abstract: A high-low pressure chambers system is proposed to meet the demands of low launch acceleration for informative equipment in many special fields such as Aeronautics, Astronautics and Weaponry. A two-dimensional two-phase flow numerical model is established to describe the complex physical process based on a modified two-fluid theory, which takes into account gas production, interphase drag, intergranular stress, and heat transfer between two phases. In order to reduce the computational cost, the parameters in the high-pressure chamber at the instant the vent-holes open are calculated by the zero-dimensional model as the initial conditions for the two-phase flow simulation in the high-low pressure chambers system. The simulation results reveal good agreement with the experiments and the launch acceleration of a projectile can be improved by this system. The propellant particles can be tracked clearly in both chambers and a strong packing of particles at the base of projectile will cause the pressure to rise faster than at other areas both in the axis and radial directions. The length–diameter ratio of the high-pressure chamber (a typical multi-dimensional parameter) is investigated. Different length–diameter ratios can affect the maximum pressure drop and the loss of total pressure impulse through the vent-hole, then the muzzle velocity and the launch acceleration of projectiles can be influenced directly. This article puts forward a new prediction tool for the understanding and design of transient processes in high-low pressure
Dissociative recombination in reactive flows related to planetary atmospheric entries
Directory of Open Access Journals (Sweden)
Bultel Arnaud
2015-01-01
Full Text Available The Dissociative Recombination (DR processes play a significant role in plasma chemistry. This article illustrates this role from the modeling point of view in the case of reactive flows related to atmospheric entry plasmas. Two situations are investigated, for which the studied plasma is nitrogen. The first configuration corresponds to the relaxation process behind a strong shock wave moving at high Mach number in a shock tube, the second one to the recombination taking place in an expanding plasma flowing in a diverging nozzle. In both cases, the collisional-radiative model CoRaM-N2, involving N2, N, N2+, N+ and electrons, is implemented in an Eulerian 1D code able to compute the aerodynamic fields; calculations are performed in standard conditions. We show that, according to the rate coefficients used for the DR processes, the population density of the charged species especially N2+ is strongly modified only for the post-shock flow.
Energy Technology Data Exchange (ETDEWEB)
Birkle, P.; Pruess, K.; Xu, T.; Figueroa, R.A. Hernandez; Lopez, M. Diaz; Lopez, E. Contreras
2008-10-01
Waterflooding for enhanced oil recovery requires that injected waters must be chemically compatible with connate reservoir waters, in order to avoid mineral dissolution-and-precipitation cycles that could seriously degrade formation permeability and injectivity. Formation plugging is a concern especially in reservoirs with a large content of carbonates, such as calcite and dolomite, as such minerals typically react rapidly with an aqueous phase, and have strongly temperature-dependent solubility. Clay swelling can also pose problems. During a preliminary waterflooding pilot project, the Poza Rica-Altamira oil field, bordering the Gulf coast in the eastern part of Mexico, experienced injectivity loss after five months of reinjection of formation waters into well AF-847 in 1999. Acidizing with HCl restored injectivity. We report on laboratory experiments and reactive chemistry modeling studies that were undertaken in preparation for long-term waterflooding at Agua Frma. Using analogous core plugs obtained from the same reservoir interval, laboratory coreflood experiments were conducted to examine sensitivity of mineral dissolution and precipitation effects to water composition. Native reservoir water, chemically altered waters, and distilled water were used, and temporal changes in core permeability, mineral abundances and aqueous concentrations of solutes were monitored. The experiments were simulated with the multi-phase, nonisothermal reactive transport code TOUGHREACT, and reasonable to good agreement was obtained for changes in solute concentrations. Clay swelling caused an additional impact on permeability behavior during coreflood experiments, whereas the modeled permeability depends exclusively on chemical processes. TOUGHREACT was then used for reservoir-scale simulation of injecting ambient-temperature water (30 C, 86 F) into a reservoir with initial temperature of 80 C (176 F). Untreated native reservoir water was found to cause serious porosity and
Hayat, T.; Ahmad, Salman; Ijaz Khan, M.; Alsaedi, A.
2018-05-01
In this article we investigate the flow of Sutterby liquid due to rotating stretchable disk. Mass and heat transport are analyzed through Brownian diffusion and thermophoresis. Further the effects of magnetic field, chemical reaction and heat source are also accounted. We employ transformation procedure to obtain a system of nonlinear ODE’s. This system is numerically solved by Built-in-Shooting method. Impacts of different involved parameter on velocity, temperature and concentration are described. Velocity, concentration and temperature gradients are numerically computed. Obtained results show that velocity is reduced through material parameter. Temperature and concentration are enhanced with thermophoresis parameter.
Quadratic reactivity fuel cycle model
International Nuclear Information System (INIS)
Lewins, J.D.
1985-01-01
For educational purposes it is highly desirable to provide simple yet realistic models for fuel cycle and fuel economy. In particular, a lumped model without recourse to detailed spatial calculations would be very helpful in providing the student with a proper understanding of the purposes of fuel cycle calculations. A teaching model for fuel cycle studies based on a lumped model assuming the summability of partial reactivities with a linear dependence of reactivity usefully illustrates fuel utilization concepts. The linear burnup model does not satisfactorily represent natural enrichment reactors. A better model, showing the trend of initial plutonium production before subsequent fuel burnup and fission product generation, is a quadratic fit. The study of M-batch cycles, reloading 1/Mth of the core at end of cycle, is now complicated by nonlinear equations. A complete account of the asymptotic cycle for any order of M-batch refueling can be given and compared with the linear model. A complete account of the transient cycle can be obtained readily in the two-batch model and this exact solution would be useful in verifying numerical marching models. It is convenient to treat the parabolic fit rho = 1 - tau 2 as a special case of the general quadratic fit rho = 1 - C/sub tau/ - (1 - C)tau 2 in suitably normalized reactivity and cycle time units. The parabolic results are given in this paper
Quantitative reactive modeling and verification.
Henzinger, Thomas A
Formal verification aims to improve the quality of software by detecting errors before they do harm. At the basis of formal verification is the logical notion of correctness , which purports to capture whether or not a program behaves as desired. We suggest that the boolean partition of software into correct and incorrect programs falls short of the practical need to assess the behavior of software in a more nuanced fashion against multiple criteria. We therefore propose to introduce quantitative fitness measures for programs, specifically for measuring the function, performance, and robustness of reactive programs such as concurrent processes. This article describes the goals of the ERC Advanced Investigator Project QUAREM. The project aims to build and evaluate a theory of quantitative fitness measures for reactive models. Such a theory must strive to obtain quantitative generalizations of the paradigms that have been success stories in qualitative reactive modeling, such as compositionality, property-preserving abstraction and abstraction refinement, model checking, and synthesis. The theory will be evaluated not only in the context of software and hardware engineering, but also in the context of systems biology. In particular, we will use the quantitative reactive models and fitness measures developed in this project for testing hypotheses about the mechanisms behind data from biological experiments.
Stability Analysis of Reactive Multiphase Slug Flows in Microchannels
Directory of Open Access Journals (Sweden)
Alejandro A. Munera Parra
2014-05-01
Full Text Available Conducting multiphase reactions in micro-reactors is a promising strategy for intensifying chemical and biochemical processes. A major unresolved challenge is to exploit the considerable benefits offered by micro-scale operation for industrial scale throughputs by numbering-up whilst retaining the underlying advantageous flow characteristics of the single channel system in multiple parallel channels. Fabrication and installation tolerances in the individual micro-channels result in different pressure losses and, thus, a fluid maldistribution. In this work, an additional source of maldistribution, namely the flow multiplicities, which can arise in a multiphase reactive or extractive flow in otherwise identical micro-channels, was investigated. A detailed experimental and theoretical analysis of the flow stability with and without reaction for both gas-liquid and liquid-liquid slug flow has been developed. The model has been validated using the extraction of acetic acid from n-heptane with the ionic liquid 1-Ethyl-3-methylimidazolium ethyl sulfate. The results clearly demonstrate that the coupling between flow structure, the extent of reaction/extraction and pressure drop can result in multiple operating states, thus, necessitating an active measurement and control concept to ensure uniform behavior and optimal performance.
Hot gas flow cell for optical measurements on reactive gases
DEFF Research Database (Denmark)
Grosch, Helge; Fateev, Alexander; Nielsen, Karsten Lindorff
2013-01-01
A new design is presented for a gas flow cell for reactive gases at high temperatures. The design features three heated sections that are separated by flow windows. This design avoids the contact of reactive gases with the material of the exchangeable optical windows. A gas cell with this design ......-resolution measurements are presented for the absorption cross-section of sulfur dioxide (SO2) in the UV range up to 773 K (500 degrees C)...
An iterative method for controlling reactive power flow in boundary transformers
Energy Technology Data Exchange (ETDEWEB)
Trigo, Angel L.; Martinez, Jose L.; Riquelme, Jesus; Romero, Esther [Department of Electrical Engineering, University of Seville (Spain)
2011-02-15
This paper presents an operational tool designed to help the system operator to control the reactive power flow in transmission-subtransmission boundary transformers. The main objective is to determine the minimum number of control actions necessary to ensure that reactive power flows in transmission/subtransmission transformers remain within limits. The proposed iterative procedure combines the use of a linear programming problem and a load flow tool. The linear programming assumes a linear behaviour between dependent and control variables around an operating point, modelled with sensitivities. Experimental results regarding IEEE systems are provided comparing the performance of the proposed approach with that of a conventional optimal power flow. (author)
Energy Technology Data Exchange (ETDEWEB)
Mechitoua, N; Dalsecco, S; Delalondre, C; Simonin, O [Electricite de France (EDF), 78 - Chatou (France). Lab. National d` Hydraulique
1997-12-31
The direction of studies and researches (DER) of Electricite de France (EdF) has been involved for several years in a research program on turbulent reactive flows. The objectives of this program concern: the reduction of pollutant emissions from existing fossil-fueled power plants, the study of new production means (fluidized beds), and the promotion of electric power applications in the industry. An important part of this program is devoted to the development and validation of 3-D softwares and to the modeling of physical phenomena. This paper presents some industrial applications (furnaces, boilers, electric arcs) for which radiant heat transfers play an important role and the radiation models used. (J.S.) 8 refs.
Energy Technology Data Exchange (ETDEWEB)
Mechitoua, N.; Dalsecco, S.; Delalondre, C.; Simonin, O. [Electricite de France (EDF), 78 - Chatou (France). Lab. National d`Hydraulique
1996-12-31
The direction of studies and researches (DER) of Electricite de France (EdF) has been involved for several years in a research program on turbulent reactive flows. The objectives of this program concern: the reduction of pollutant emissions from existing fossil-fueled power plants, the study of new production means (fluidized beds), and the promotion of electric power applications in the industry. An important part of this program is devoted to the development and validation of 3-D softwares and to the modeling of physical phenomena. This paper presents some industrial applications (furnaces, boilers, electric arcs) for which radiant heat transfers play an important role and the radiation models used. (J.S.) 8 refs.
Turbulent mixing in nonreactive and reactive flows
1975-01-01
Turbulence, mixing and the mutual interaction of turbulence and chemistry continue to remain perplexing and impregnable in the fron tiers of fluid mechanics. The past ten years have brought enormous advances in computers and computational techniques on the one hand and in measurements and data processing on the other. The impact of such capabilities has led to a revolution both in the understanding of the structure of turbulence as well as in the predictive methods for application in technology. The early ideas on turbulence being an array of complicated phenomena and having some form of reasonably strong coherent struc ture have become well substantiated in recent experimental work. We are still at the very beginning of understanding all of the aspects of such coherence and of the possibilities of incorporating such structure into the analytical models for even those cases where the thin shear layer approximation may be valid. Nevertheless a distinguished body of "eddy chasers" has come into existence. T...
Barajas-Solano, D. A.; Tartakovsky, A. M.
2017-12-01
We present a multiresolution method for the numerical simulation of flow and reactive transport in porous, heterogeneous media, based on the hybrid Multiscale Finite Volume (h-MsFV) algorithm. The h-MsFV algorithm allows us to couple high-resolution (fine scale) flow and transport models with lower resolution (coarse) models to locally refine both spatial resolution and transport models. The fine scale problem is decomposed into various "local'' problems solved independently in parallel and coordinated via a "global'' problem. This global problem is then coupled with the coarse model to strictly ensure domain-wide coarse-scale mass conservation. The proposed method provides an alternative to adaptive mesh refinement (AMR), due to its capacity to rapidly refine spatial resolution beyond what's possible with state-of-the-art AMR techniques, and the capability to locally swap transport models. We illustrate our method by applying it to groundwater flow and reactive transport of multiple species.
Energy Technology Data Exchange (ETDEWEB)
Ravet, F. [Rouen Univ., 76 - Mont-Saint-Aignan (France)]|[SNECMA, 77 - Moissy-Cramayel (France); Baudoin, Ch.; Schultz, J.L. [SNECMA, 77 - Moissy-Cramayel (France)
1996-12-31
Simplifying hypotheses are required when combustion and aerodynamic phenomena are considered simultaneously. In this paper, a turbulent combustion model is proposed, in which the combustion chemistry is reduced to a single reaction. In this way, only two variables are needed to describe the problem and combustion can be characterized by the consumption of one of the two reactive species. In a first step, the instantaneous consumption rate is obtained using the Lagrangian form of the mass fraction equation of the species under consideration, and by considering the equilibrium state only. This state is determined in order to preserve the consistency with results that should be obtained using a complete kinetics scheme. In a second step, the average rate is determined using the instantaneous consumption term and a probabilistic density function. This model was tested on various configurations and in particular on an experimental main chamber and on a reheating chamber. Results indicate that this model could be used to predict temperature levels inside these combustion chambers. Other applications, like the prediction of pollutant species emission can be considered. (J.S.) 12 refs.
The reactive solid-gas flow of a fluidized bed for UO2 conversion
International Nuclear Information System (INIS)
Juanico, L.E.
1991-01-01
The reactive solid-gas flow of a fluidized bed for UO 2 conversion was modeled. The sedimentation-reaction process was treated using the drift-flux equations. Also, the associated pressure transient due to the reaction gas release was analyzed. An experiment was carried out to compare the results, and pressure transient was numerically simulated, reaching interesting conclusions. (Author) [es
Dehaven, Martin R.; Vandersall, Kevin S.; Strickland, Shawn L.; Fried, Laurence E.; Tarver, Craig M.
2017-06-01
Experiments were performed at -55°C to measure the reacted state of LX-17 (92.5% TATB and 7.5% Kel-F by weight) using a double shock technique using two flyer materials (with known properties) mounted on a projectile that send an initial shock through the material close to the Chapman-Jouguet (CJ) state followed by a second shock at a higher magnitude into the detonated material. Information on the reacted state is obtained by measuring the relative timing and magnitude of the first and second shock waves. The LX-17 detonation reaction zone profiles plus the arrival times and amplitudes of reflected shocks in LX-17 detonation reaction products were measured using Photonic Doppler Velocimetry (PDV) probes and an aluminum foil coated LiF window. A discussion of this work will include a comparison to prior work at ambient temperature, the experimental parameters, velocimetry profiles, data interpretation, reactive CHEETAH and Ignition and Growth modeling, as well as detail on possible future experiments. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
An efficient unstructured WENO method for supersonic reactive flows
Zhao, Wen-Geng; Zheng, Hong-Wei; Liu, Feng-Jun; Shi, Xiao-Tian; Gao, Jun; Hu, Ning; Lv, Meng; Chen, Si-Cong; Zhao, Hong-Da
2018-03-01
An efficient high-order numerical method for supersonic reactive flows is proposed in this article. The reactive source term and convection term are solved separately by splitting scheme. In the reaction step, an adaptive time-step method is presented, which can improve the efficiency greatly. In the convection step, a third-order accurate weighted essentially non-oscillatory (WENO) method is adopted to reconstruct the solution in the unstructured grids. Numerical results show that our new method can capture the correct propagation speed of the detonation wave exactly even in coarse grids, while high order accuracy can be achieved in the smooth region. In addition, the proposed adaptive splitting method can reduce the computational cost greatly compared with the traditional splitting method.
Pressure sensitivity of flow oscillations in postocclusive reactive skin hyperemia.
Strucl, M; Peterec, D; Finderle, Z; Maver, J
1994-05-01
Skin blood flow was monitored using a laser-Doppler (LD) flowmeter in 21 healthy volunteers after an occlusion of the digital arteries. The peripheral vascular bed was exposed to occlusion ischemia of varying duration (1, 4, or 8 min) and to a change in digital arterial pressure produced by different positions of the arm above heart level to characterize the pattern of LD flow oscillations in postocclusive reactive hyperemia (PRH) and to elucidate the relevance of metabolic and myogenic mechanisms in governing its fundamental frequency. The descending part of the hyperemic flow was characterized by the appearance of conspicuous periodic oscillations with a mean fundamental frequency of 7.2 +/- 1.5 cycles/min (SD, n = 9), as assessed by a Fourier transform frequency analysis of 50-s sections of flow. The mean respiratory frequency during the periods of flow frequency analysis was 17.0 +/- 2.2 (SD, n = 9), and the PRH oscillations remained during apnea in all tested subjects. The area under the maximum flow curve increased significantly with prolongation of the occlusion (paired t test, P blood pressure in the digital arteries, which suggests the predominant role of a metabolic component in this part of the PRH response. In contrast, the fundamental frequency of PRH oscillations exhibited a significant decrease with a reduction in the estimated digital arterial pressure (linear regression, b = 0.08, P < 0.001; n = 12), but did not change with the prolongation of arterial occlusion despite a significant increase in mean LD flow (paired t test, P < 0.001; n = 9).(ABSTRACT TRUNCATED AT 250 WORDS)
Modeling biogechemical reactive transport in a fracture zone
Energy Technology Data Exchange (ETDEWEB)
Molinero, Jorge; Samper, Javier; Yang, Chan Bing, and Zhang, Guoxiang; Guoxiang, Zhang
2005-01-14
A coupled model of groundwater flow, reactive solute transport and microbial processes for a fracture zone of the Aspo site at Sweden is presented. This is the model of the so-called Redox Zone Experiment aimed at evaluating the effects of tunnel construction on the geochemical conditions prevailing in a fracture granite. It is found that a model accounting for microbially-mediated geochemical processes is able to reproduce the unexpected measured increasing trends of dissolved sulfate and bicarbonate. The model is also useful for testing hypotheses regarding the role of microbial processes and evaluating the sensitivity of model results to changes in biochemical parameters.
Modeling biogeochemical reactive transport in a fracture zone
International Nuclear Information System (INIS)
Molinero, Jorge; Samper, Javier; Yang, Chan Bing; Zhang, Guoxiang; Guoxiang, Zhang
2005-01-01
A coupled model of groundwater flow, reactive solute transport and microbial processes for a fracture zone of the Aspo site at Sweden is presented. This is the model of the so-called Redox Zone Experiment aimed at evaluating the effects of tunnel construction on the geochemical conditions prevailing in a fracture granite. It is found that a model accounting for microbially-mediated geochemical processes is able to reproduce the unexpected measured increasing trends of dissolved sulfate and bicarbonate. The model is also useful for testing hypotheses regarding the role of microbial processes and evaluating the sensitivity of model results to changes in biochemical parameters
Reactive Gas Solids Flow in Circulating Fluidised Beds
DEFF Research Database (Denmark)
Hjertager, Bjørn Helge; Solberg, Tron; Hansen, Kim Granly
2005-01-01
Progress in modelling and simulation of flow processes in gas/particle systems carried out at the authors? research group are presented. Emphasis is given to computational fluid dynamics (CFD) models that use the multi-dimensional multi fluid techniques. Turbulence modelling strategies for gas...
Probabilistic models for reactive behaviour in heterogeneous condensed phase media
Baer, M. R.; Gartling, D. K.; DesJardin, P. E.
2012-02-01
This work presents statistically-based models to describe reactive behaviour in heterogeneous energetic materials. Mesoscale effects are incorporated in continuum-level reactive flow descriptions using probability density functions (pdfs) that are associated with thermodynamic and mechanical states. A generalised approach is presented that includes multimaterial behaviour by treating the volume fraction as a random kinematic variable. Model simplifications are then sought to reduce the complexity of the description without compromising the statistical approach. Reactive behaviour is first considered for non-deformable media having a random temperature field as an initial state. A pdf transport relationship is derived and an approximate moment approach is incorporated in finite element analysis to model an example application whereby a heated fragment impacts a reactive heterogeneous material which leads to a delayed cook-off event. Modelling is then extended to include deformation effects associated with shock loading of a heterogeneous medium whereby random variables of strain, strain-rate and temperature are considered. A demonstrative mesoscale simulation of a non-ideal explosive is discussed that illustrates the joint statistical nature of the strain and temperature fields during shock loading to motivate the probabilistic approach. This modelling is derived in a Lagrangian framework that can be incorporated in continuum-level shock physics analysis. Future work will consider particle-based methods for a numerical implementation of this modelling approach.
The Importance of Protons in Reactive Transport Modeling
McNeece, C. J.; Hesse, M. A.
2014-12-01
The importance of pH in aqueous chemistry is evident; yet, its role in reactive transport is complex. Consider a column flow experiment through silica glass beads. Take the column to be saturated and flowing with solution of a distinct pH. An instantaneous change in the influent solution pH can yield a breakthrough curve with both a rarefaction and shock component (composite wave). This behavior is unique among aqueous ions in transport and is more complex than intuition would tell. Analysis of the hyperbolic limit of this physical system can explain these first order transport phenomenon. This analysis shows that transport behavior is heavily dependent on the shape of the adsorption isotherm. Hence it is clear that accurate surface chemistry models are important in reactive transport. The proton adsorption isotherm has nonconstant concavity due to the proton's ability to partition into hydroxide. An eigenvalue analysis shows that an inflection point in the adsorption isotherm allows the development of composite waves. We use electrostatic surface complexation models to calculate realistic proton adsorption isotherms. Surface characteristics such as specific surface area, and surface site density were determined experimentally. We validate the model by comparison against silica glass bead flow through experiments. When coupled to surface complexation models, the transport equation captures the timing and behavior of breakthrough curves markedly better than with commonly used Langmuir assumptions. Furthermore, we use the adsorption isotherm to predict, a priori, the transport behavior of protons across pH composition space. Expansion of the model to multicomponent systems shows that proton adsorption can force composite waves to develop in the breakthrough curves of ions that would not otherwise exhibit such behavior. Given the abundance of reactive surfaces in nature and the nonlinearity of chemical systems, we conclude that building a greater understanding of
Modelling of power-reactivity coefficient measurement
International Nuclear Information System (INIS)
Strmensky, C.; Petenyi, V.; Jagrik, J.; Minarcin, M.; Hascik, R.; Toth, L.
2005-01-01
Report describes results of modeling of power-reactivity coefficient analysis on power-level. In paper we calculate values of discrepancies arisen during transient process. These discrepancies can be arisen as result of experiment evaluation and can be caused by disregard of 3D effects on neutron distribution. The results are critically discussed (Authors)
Reactivity feedback models for SSC-K
Energy Technology Data Exchange (ETDEWEB)
Han, Do Hee; Kwon, Young Min; Kim, Kyung Du; Chang, Won Pyo [Korea Atomic Energy Research Institute, Taejon (Korea)
1998-06-01
Safety of KALIMER is assured by the inherent safety of the core and passive safety of the safety-related systems. For the safety analysis of a new reactor design such as KALIMER, analysis models, which are consistent with the design, have to be developed for a plant-wide transient and safety analysis code. Efforts for the development of reactivity feedback models for SSC-K, which is now being developed for the safety analysis of KALIMER, is described in this report. Models for Doppler, sodium density/void, fuel axial expansion, core radial expansion, and CRDL expansion have been developed. Test runs have been performed for the unprotected accident for the verification of the models. Use of KALIMER reactivity coefficients and future development of models for GEM and PSDRS would make it possible to analyze the response of KALIMER under TOP as well as LOF and LOHS accident conditions using SSC-K. (author). 5 refs., 64 figs., 2 tabs.
International Nuclear Information System (INIS)
Ramakrishnan, Sankaran; Edwards, Christopher F.
2014-01-01
Systems research has led to the conception and development of various steady-flow, chemically-reactive, engine cycles for stationary power generation and propulsion. However, the question that remains unanswered is: What is the maximum-efficiency steady-flow chemically-reactive engine architecture permitted by physics? On the one hand the search for higher-efficiency cycles continues, often involving newer processes and devices (fuel cells, carbon separation, etc.); on the other hand the design parameters for existing cycles are continually optimized in response to improvements in device engineering. In this paper we establish that any variation in engine architecture—parametric change or process-sequence change—contributes to an efficiency increase via one of only two possible ways to minimize total irreversibility. These two principles help us unify our understanding from a large number of parametric analyses and cycle-optimization studies for any steady-flow chemically-reactive engine, and set a framework to systematically identify maximum-efficiency engine architectures. - Highlights: • A unified thermodynamic model to study chemically-reactive engine architectures is developed. • All parametric analyses of efficiency are unified by two irreversibility-minimization principles. • Variations in internal energy transfers yield a net work increase that is greater than engine irreversibility reduced. • Variations in external energy transfers yield a net work increase that is lesser than engine irreversibility reduced
Reactive flow analysis with fluorine thermal dissociation in a FLUOREX flame reactor
International Nuclear Information System (INIS)
Ohtsuka, Masaya; Tagawa, Hisato; Sasahira, Akira; Hoshino, Kuniyoshi; Kawamura, Fumio; Homma, Shunji; Amano, Osamu
2004-01-01
A reactive flow analysis method for flame reactors of the FLUOREX (Hybrid Process of Fluoride Volatility and Solvent Extraction) method was been developed. Transport equations for UO 2 /PuO 2 mixed particles were formulated in the Lagrangian framework and several fluid/particles interactions were modeled using mass, momentum and energy exchanges through surface chemical reactions, forces and heat transfers. The coal combustion model was modified without devolatilization and the char burnout model was replaced by the UO 2 /PuO 2 fluorination model. Overall reaction rates were calculated using the combined model of the surface reaction rate and the diffusion rate of F2 and F. Fluid flows were modeled through incompressible flows using the k-ε turbulent model in the Euler framework. A cylindrical flame reactor (φ 80 mm x 500mm was analyzed where 99%UO 2 +1%PuO 2 mixed particles were injected with Ar and 5% excess F 2 flow. The average particle diameter was 4 μm and the flow rate was 300 g/h. The fluorination reaction of PuO 2 was limited through fluorine molecular reaction but was accelerated due to fluorine thermal dissociation. The simulated corresponded to the experimental result in that both UO 2 and PuO 2 were almost completely fluorinated. (author)
Core dynamics analysis for reactivity insertion and loss of coolant flow tests using the HTTR
International Nuclear Information System (INIS)
Takamatsu, Kuniyoshi; Nakagawa, Shigeaki; Takeda, Tetsuaki
2007-01-01
The High Temperature engineering Test Reactor (HTTR) is a graphite-moderated and a gas-cooled reactor with a thermal power of 30 MW and a reactor outlet coolant temperature of 950degC (SAITO, 1994). Safety demonstration tests using the HTTR are in progress to verify its inherent safety features and improve the safety technology and design methodology for High-Temperature Gas-cooled Reactors (HTGRs) (TACHIBANA 2002) (NAKAGAWA 2004). The reactivity insertion test is one of the safety demonstration tests for the HTTR. This test simulates the rapid increase in the reactor power by withdrawing the control rod without operating the reactor power control system. In addition, the loss of coolant flow tests has been conducted to simulate the rapid decrease in the reactor power by tripping one, two or all out of three gas circulators. The experimental results have revealed the inherent safety features of HTGRs, such as the negative reactivity feedback effect. The numerical analysis code, which was named ACCORD (TAKAMATSU 2006), was developed to analyze the reactor dynamics including the flow behavior in the HTTR core. We used a conventional method, namely, a one-dimensional flow channel model and reactor kinetics model with a single temperature coefficient, taking into account the temperature changes in the core. However, a slight difference between the analytical and experimental results was observed. Therefore, we have modified this code to use a model with four parallel channels and twenty temperature coefficients in the core. Furthermore, we added another analytical model of the core for calculating the heat conduction between the fuel channels and the core in the case of the loss of coolant flow tests. This paper describes the validation results for the newly developed code using the experimental results of the reactivity insertion test as well as the loss of coolant flow tests by tripping one or two out of three gas circulators. Finally, the pre-analytical result of
CONCHAS-SPRAY, Reactive Flows with Fuel Sprays
International Nuclear Information System (INIS)
Cloutman, L.D.; Dukowicz, J.K.; Ramshaw, J.D.; Amsden, A.A.
2001-01-01
Description of program or function: CONCHAS-SPRAY solves the equations of transient, multicomponent, chemically reactive fluid dynamics, together with those for the dynamics of an evaporating liquid spray. The program was developed with applications to internal combustion engines in mind. The formulation is spatially two-dimensional, and encompasses both planar and axisymmetric geometries. In the latter case, the flow is permitted to swirl about the axis of symmetry. CONCHAS-SPRAY is a time-marching, finite- difference program that uses a partially implicit numerical scheme. Spatial differences are formed with respect to a generalized two- dimensional mesh of arbitrary quadrilaterals whose corner locations are specified functions of time. This feature allows a Lagrangian, Eulerian, or mixed description, and is particularly useful for representing curved or moving boundary surfaces. Arbitrary numbers of species and chemical reactions are allowed. The latter are subdivided into kinetic and equilibrium reactions, which are treated by different algorithms. A turbulent law-of-the-wall boundary layer option is provided. CONCHAS-SPRAY calls a number of LANL system subroutines to display graphic or numerical information on microfiche. These routines are not included, but are described in the reference report. Several routines called from LINPACK and SLATEC1.0 are included
Modelling of reactive fluid transport in deformable porous rocks
Yarushina, V. M.; Podladchikov, Y. Y.
2009-04-01
One outstanding challenge in geology today is the formulation of an understanding of the interaction between rocks and fluids. Advances in such knowledge are important for a broad range of geologic settings including partial melting and subsequent migration and emplacement of a melt into upper levels of the crust, or fluid flow during regional metamorphism and metasomatism. Rock-fluid interaction involves heat and mass transfer, deformation, hydrodynamic flow, and chemical reactions, thereby necessitating its consideration as a complex process coupling several simultaneous mechanisms. Deformation, chemical reactions, and fluid flow are coupled processes. Each affects the others. Special effort is required for accurate modelling of the porosity field through time. Mechanical compaction of porous rocks is usually treated under isothermal or isoentropic simplifying assumptions. However, joint consideration of both mechanical compaction and reactive porosity alteration requires somewhat greater than usual care about thermodynamic consistency. Here we consider the modelling of multi-component, multi-phase systems, which is fundamental to the study of fluid-rock interaction. Based on the conservation laws for mass, momentum, and energy in the form adopted in the theory of mixtures, we derive a thermodynamically admissible closed system of equations describing the coupling of heat and mass transfer, chemical reactions, and fluid flow in a deformable solid matrix. Geological environments where reactive transport is important are located at different depths and accordingly have different rheologies. In the near surface, elastic or elastoplastic properties would dominate, whereas viscoplasticity would have a profound effect deeper in the lithosphere. Poorly understood rheologies of heterogeneous porous rocks are derived from well understood processes (i.e., elasticity, viscosity, plastic flow, fracturing, and their combinations) on the microscale by considering a
Reactive transport models and simulation with ALLIANCES
International Nuclear Information System (INIS)
Leterrier, N.; Deville, E.; Bary, B.; Trotignon, L.; Hedde, T.; Cochepin, B.; Stora, E.
2009-01-01
Many chemical processes influence the evolution of nuclear waste storage. As a result, simulations based only upon transport and hydraulic processes fail to describe adequately some industrial scenarios. We need to take into account complex chemical models (mass action laws, kinetics...) which are highly non-linear. In order to simulate the coupling of these chemical reactions with transport, we use a classical Sequential Iterative Approach (SIA), with a fixed point algorithm, within the mainframe of the ALLIANCES platform. This approach allows us to use the various transport and chemical modules available in ALLIANCES, via an operator-splitting method based upon the structure of the chemical system. We present five different applications of reactive transport simulations in the context of nuclear waste storage: 1. A 2D simulation of the lixiviation by rain water of an underground polluted zone high in uranium oxide; 2. The degradation of the steel envelope of a package in contact with clay. Corrosion of the steel creates corrosion products and the altered package becomes a porous medium. We follow the degradation front through kinetic reactions and the coupling with transport; 3. The degradation of a cement-based material by the injection of an aqueous solution of zinc and sulphate ions. In addition to the reactive transport coupling, we take into account in this case the hydraulic retroaction of the porosity variation on the Darcy velocity; 4. The decalcification of a concrete beam in an underground storage structure. In this case, in addition to the reactive transport simulation, we take into account the interaction between chemical degradation and the mechanical forces (cracks...), and the retroactive influence on the structure changes on transport; 5. The degradation of the steel envelope of a package in contact with a clay material under a temperature gradient. In this case the reactive transport simulation is entirely directed by the temperature changes and
Coupled Modeling of Rhizosphere and Reactive Transport Processes
Roque-Malo, S.; Kumar, P.
2017-12-01
The rhizosphere, as a bio-diverse plant root-soil interface, hosts many hydrologic and biochemical processes, including nutrient cycling, hydraulic redistribution, and soil carbon dynamics among others. The biogeochemical function of root networks, including the facilitation of nutrient cycling through absorption and rhizodeposition, interaction with micro-organisms and fungi, contribution to biomass, etc., plays an important role in myriad Critical Zone processes. Despite this knowledge, the role of the rhizosphere on watershed-scale ecohydrologic functions in the Critical Zone has not been fully characterized, and specifically, the extensive capabilities of reactive transport models (RTMs) have not been applied to these hydrobiogeochemical dynamics. This study uniquely links rhizospheric processes with reactive transport modeling to couple soil biogeochemistry, biological processes, hydrologic flow, hydraulic redistribution, and vegetation dynamics. Key factors in the novel modeling approach are: (i) bi-directional effects of root-soil interaction, such as simultaneous root exudation and nutrient absorption; (ii) multi-state biomass fractions in soil (i.e. living, dormant, and dead biological and root materials); (iii) expression of three-dimensional fluxes to represent both vertical and lateral interconnected flows and processes; and (iv) the potential to include the influence of non-stationary external forcing and climatic factors. We anticipate that the resulting model will demonstrate the extensive effects of plant root dynamics on ecohydrologic functions at the watershed scale and will ultimately contribute to a better characterization of efflux from both agricultural and natural systems.
Tangential stretching rate (TSR) analysis of non premixed reactive flows
Valorani, Mauro
2016-10-16
We discuss how the Tangential stretching rate (TSR) analysis, originally developed and tested for spatially homogeneous systems (batch reactors), is extended to spatially non homogeneous systems. To illustrate the effectiveness of the TSR diagnostics, we study the ignition transient in a non premixed, reaction–diffusion model in the mixture fraction space, whose dependent variables are temperature and mixture composition. The reactive mixture considered is syngas/air. A detailed H2/CO mechanism with 12 species and 33 chemical reactions is employed. We will discuss two cases, one involving only kinetics as a model of front propagation purely driven by spontaneous ignition, the other as a model of deflagration wave involving kinetics/diffusion coupling. We explore different aspects of the system dynamics such as the relative role of diffusion and kinetics, the evolution of kinetic eigenvalues, and of the tangential stretching rates computed by accounting for the combined action of diffusion and kinetics as well for kinetics only. We propose criteria based on the TSR concept which allow to identify the most ignitable conditions and to discriminate between spontaneous ignition and deflagration front.
Continuous flow chemistry: a discovery tool for new chemical reactivity patterns.
Hartwig, Jan; Metternich, Jan B; Nikbin, Nikzad; Kirschning, Andreas; Ley, Steven V
2014-06-14
Continuous flow chemistry as a process intensification tool is well known. However, its ability to enable chemists to perform reactions which are not possible in batch is less well studied or understood. Here we present an example, where a new reactivity pattern and extended reaction scope has been achieved by transferring a reaction from batch mode to flow. This new reactivity can be explained by suppressing back mixing and precise control of temperature in a flow reactor set up.
Continuous flow chemistry: a discovery tool for new chemical reactivity patterns
Hartwig, Jan; Metternich, Jan B.; Nikbin, Nikzad; Kirschning, Andreas; Ley, Steven V.
2014-01-01
Continuous flow chemistry as a process intensification tool is well known. However, its ability to enable chemists to perform reactions which are not possible in batch is less well studied or understood. Here we present an example, where a new reactivity pattern and extended reaction scope has been achieved by transferring a reaction from batch mode to flow. This new reactivity can be explained by suppressing back mixing and precise control of temperature in a flow reactor set up.
A fast method for optimal reactive power flow solution
Energy Technology Data Exchange (ETDEWEB)
Sadasivam, G; Khan, M A [Anna Univ., Madras (IN). Coll. of Engineering
1990-01-01
A fast successive linear programming (SLP) method for minimizing transmission losses and improving the voltage profile is proposed. The method uses the same compactly stored, factorized constant matrices in all the LP steps, both for power flow solution and for constructing the LP model. The inherent oscillatory convergence of SLP methods is overcome by proper selection of initial step sizes and their gradual reduction. Detailed studies on three systems, including a 109-bus system, reveal the fast and reliable convergence property of the method. (author).
Numerical simulation of two-phase multicomponent flow with reactive transport in porous media
International Nuclear Information System (INIS)
Vostrikov, Viatcheslav
2014-01-01
The subject of this thesis is the numerical simulation of water-gas flow in the subsurface together with chemical reactions. The subject has applications to various situations in environmental modeling, though we are mainly concerned with CO 2 storage in deep saline aquifers. In Carbon Capture and Storage studies, CO 2 is first captured from its sources of origin, transport in liquefied form and injected as gas under high pressure in deep saline aquifers. Numerical simulation is an essential tool to make sure that gaseous CO 2 will remain trapped for several hundreds or thousands of years. Several trapping mechanisms can be brought to bear to achieve this goal. Of particular interest in this thesis are solubility trapping (whereby gaseous CO 2 dissolves in the brine as it moves upward) and, on a longer term, mineral trapping (which causes CO 2 to react with the surrounding rock to form minerals such as calcite). Thus, understanding how CO 2 reacts chemically becomes an important issue for its long term fate. The thesis is composed of four chapters. The first chapter is an introduction to multicomponent two-phase flow in porous media, with or without chemical reactions. It presents a review of the existing literature, and gives an outline of the whole thesis. Chapter 2 presents a quantitative discussion of the physical and chemical phenomena involved, and of their mathematical modeling. The model we use is that of two-phase two-component flow in porous media, coupled to reactive transport. This model leads to a large set of partial differential equations, coupled to algebraic equations, describing the evolution of the concentration of each species at each grid point. A direct solution of this problem (a fully coupled solution) is possible, but presents many difficulties form the numerical point of view. Moreover, it makes it difficult to reuse codes already written, and validated, to simulate the simpler phenomena of (uncoupled) two-phase flow and reactive transport
Effects of Building‒roof Cooling on Flow and Distribution of Reactive Pollutants in street canyons
Park, S. J.; Choi, W.; Kim, J.; Jeong, J. H.
2016-12-01
The effects of building‒roof cooling on flow and dispersion of reactive pollutants were investigated in the framework of flow dynamics and chemistry using a coupled CFD‒chemistry model. For this, flow characteristics were analyzed first in street canyons in the presence of building‒roof cooling. A portal vortex was generated in street canyon, producing dominant reverse and outward flows near the ground in all the cases. The building‒roof cooling increased horizontal wind speeds at the building roof and strengthened the downward motion near the downwind building in the street canyon, resultantly intensifying street canyon vortex strength. The flow affected the distribution of primary and secondary pollutants. Concentrations of primary pollutants such as NOx, VOC and CO was high near the upwind building because the reverse flows were dominant at street level, making this area the downwind region of emission sources. Concentration of secondary pollutant such as O3 was lower than the background near the ground, where NOX concentrations were high. Building‒roof cooling decreased the concentration of primary pollutants in contrasted to those under non‒cooling conditions. In contrast, building‒roof cooling increased O3 by reducing NO concentrations in urban street canyon compared to concentrations under non‒cooling conditions.
A reactive transport model for Marcellus shale weathering
Heidari, Peyman; Li, Li; Jin, Lixin; Williams, Jennifer Z.; Brantley, Susan L.
2017-11-01
Shale formations account for 25% of the land surface globally and contribute a large proportion of the natural gas used in the United States. One of the most productive shale-gas formations is the Marcellus, a black shale that is rich in organic matter and pyrite. As a first step toward understanding how Marcellus shale interacts with water in the surface or deep subsurface, we developed a reactive transport model to simulate shale weathering under ambient temperature and pressure conditions, constrained by soil and water chemistry data. The simulation was carried out for 10,000 years since deglaciation, assuming bedrock weathering and soil genesis began after the last glacial maximum. Results indicate weathering was initiated by pyrite dissolution for the first 1000 years, leading to low pH and enhanced dissolution of chlorite and precipitation of iron hydroxides. After pyrite depletion, chlorite dissolved slowly, primarily facilitated by the presence of CO2 and organic acids, forming vermiculite as a secondary mineral. A sensitivity analysis indicated that the most important controls on weathering include the presence of reactive gases (CO2 and O2), specific surface area, and flow velocity of infiltrating meteoric water. The soil chemistry and mineralogy data could not be reproduced without including the reactive gases. For example, pyrite remained in the soil even after 10,000 years if O2 was not continuously present in the soil column; likewise, chlorite remained abundant and porosity remained small if CO2 was not present in the soil gas. The field observations were only simulated successfully when the modeled specific surface areas of the reactive minerals were 1-3 orders of magnitude smaller than surface area values measured for powdered minerals. Small surface areas could be consistent with the lack of accessibility of some fluids to mineral surfaces due to surface coatings. In addition, some mineral surface is likely interacting only with equilibrated pore
Adapting HYDRUS-1D to Simulate Overland Flow and Reactive Transport During Sheet Flow Deviations
Liang, J.; Bradford, S. A.; Simunek, J.; Hartmann, A.
2017-12-01
The HYDRUS-1D code is a popular numerical model for solving the Richards equation for variably-saturated water flow and solute transport in porous media. This code was adapted to solve rather than the Richards equation for subsurface flow the diffusion wave equation for overland flow at the soil surface. The numerical results obtained by the new model produced an excellent agreement with the analytical solution of the kinematic wave equation. Model tests demonstrated its applicability to simulate the transport and fate of many different solutes, such as non-adsorbing tracers, nutrients, pesticides, and microbes. However, the diffusion wave or kinematic wave equations describe surface runoff as sheet flow with a uniform depth and velocity across the slope. In reality, overland water flow and transport processes are rarely uniform. Local soil topography, vegetation, and spatial soil heterogeneity control directions and magnitudes of water fluxes, and strongly influence runoff characteristics. There is increasing evidence that variations in soil surface characteristics influence the distribution of overland flow and transport of pollutants. These spatially varying surface characteristics are likely to generate non-equilibrium flow and transport processes. HYDRUS-1D includes a hierarchical series of models of increasing complexity to account for both physical equilibrium and non-equilibrium, e.g., dual-porosity and dual-permeability models, up to a dual-permeability model with immobile water. The same conceptualization as used for the subsurface was implemented to simulate non-equilibrium overland flow and transport at the soil surface. The developed model improves our ability to describe non-equilibrium overland flow and transport processes and to improves our understanding of factors that cause this behavior. The HYDRUS-1D overland flow and transport model was additionally also extended to simulate soil erosion. The HYDRUS-1D Soil Erosion Model has been verified by
The CREST reactive-burn model for explosives
Directory of Open Access Journals (Sweden)
Maheswaran M-A.
2011-01-01
Full Text Available CREST is an innovative reactive-burn model that has been developed at AWE for simulating shock initiation and detonation propagation behaviour in explosives. The model has a different basis from other reactive-burn models in that its reaction rate is independent of local flow variables behind the shock wave e.g. pressure and temperature. The foundation for CREST, based on a detailed analysis of data from particle-velocity gauge experiments, is that the reaction rate depends only on the local shock strength and the time since the shock passed. Since a measure of shock strength is the entropy of the non-reacted explosive, which remains constant behind a shock, CREST uses an entropy-dependent reaction rate. This paper will provide an overview of the CREST model and its predictive capability. In particular, it will be shown that the model can predict a wide range of experimental phenomena for both shock initiation (e.g. the effects of porosity and initial temperature on sustained-shock and thin-flyer initiation and detonation propagation (e.g. the diameter effect curve and detonation failure cones using a single set of coefficients.
Modelling reactive transport in a phosphogypsum dump, Venezia, Italia
Calcara, Massimo; Borgia, Andrea; Cattaneo, Laura; Bartolo, Sergio; Clemente, Gianni; Glauco Amoroso, Carlo; Lo Re, Fabio; Tozzato, Elena
2013-04-01
We develop a reactive-transport porous media flow model for a phosphogypsum dump located on the intertidal deposits of the Venetian Lagoon: 1. we construct a complex conceptual and geologic model from field data using the GMS™ graphical user interface; 2. the geological model is mapped onto a rectangular MODFLOW grid; 3. using the TMT2 FORTRAN90 code we translate this grid into the MESH, INCON and GENER input files for the TOUGH2 series of codes; 4. we run TOUGH-REACT to model flow and reactive transport in the dump and the sediments below it. The model includes 3 different dump materials (phosphogypsum, bituminous and hazardous wastes) with the pores saturated by specific fluids. The sediments below the dump are formed by an intertidal sequence of calcareous sands and silts, in addition to clays and organic deposits, all of which are initially saturated with lagoon salty waters. The recharge rain-water dilutes the dump fluids. In turn, the percolates from the dump react with the underlying sediments and the sea water that saturates them. Simulation results have been compared with chemical sampled analyses. In fact, in spite of the simplicity of our model we are able to show how the pH becomes neutral at a short distance below the dump, a fact observed during aquifer monitoring. The spatial and temporal evolution of dissolution and precipitation reactions occur in our model much alike reality. Mobility of some elements, such as divalent iron, are reduced by specific and concurrent conditions of pH from near-neutrality to moderately high values and positive redox potential; opposite conditions favour mobility of potentially toxic metals such as Cr, As Cd and Pb. Vertical movement are predominant. Trend should be therefore heavily influenced by pH and Eh values. If conditions are favourable to mobility, concentration of these substances in the bottom strata could be high. However, simulation suggest that the sediments tend to reduce the transport potential of
A Reactive Transport Model for Marcellus Shale Weathering
Li, L.; Heidari, P.; Jin, L.; Williams, J.; Brantley, S.
2017-12-01
Shale formations account for 25% of the land surface globally. One of the most productive shale-gas formations is the Marcellus, a black shale that is rich in organic matter and pyrite. As a first step toward understanding how Marcellus shale interacts with water, we developed a reactive transport model to simulate shale weathering under ambient temperature and pressure conditions, constrained by soil chemistry and water data. The simulation was carried out for 10,000 years, assuming bedrock weathering and soil genesis began right after the last glacial maximum. Results indicate weathering was initiated by pyrite dissolution for the first 1,000 years, leading to low pH and enhanced dissolution of chlorite and precipitation of iron hydroxides. After pyrite depletion, chlorite dissolved slowly, primarily facilitated by the presence of CO2 and organic acids, forming vermiculite as a secondary mineral. A sensitivity analysis indicated that the most important controls on weathering include the presence of reactive gases (CO2 and O2), specific surface area, and flow velocity of infiltrating meteoric water. The soil chemistry and mineralogy data could not be reproduced without including the reactive gases. For example, pyrite remained in the soil even after 10,000 years if O2 was not continuously present in the soil column; likewise, chlorite remained abundant and porosity remained small with the presence of soil CO2. The field observations were only simulated successfully when the specific surface areas of the reactive minerals were 1-3 orders of magnitude smaller than surface area values measured for powdered minerals, reflecting the lack of accessibility of fluids to mineral surfaces and potential surface coating. An increase in the water infiltration rate enhanced weathering by removing dissolution products and maintaining far-from-equilibrium conditions. We conclude that availability of reactive surface area and transport of H2O and gases are the most important
A parametric transfer function methodology for analyzing reactive transport in nonuniform flow.
Luo, Jian; Cirpka, Olaf A; Fienen, Michael N; Wu, Wei-min; Mehlhorn, Tonia L; Carley, Jack; Jardine, Philip M; Criddle, Craig S; Kitanidis, Peter K
2006-02-01
We analyze reactive transport during in-situ bioremediation in a nonuniform flow field, involving multiple extraction and injection wells, by the method of transfer functions. Gamma distributions are used as parametric models of the transfer functions. Apparent parameters of classical transport models may be estimated from those of the gamma distributions by matching temporal moments. We demonstrate the method by application to measured data taken at a field experiment on bioremediation conducted in a multiple-well system in Oak Ridge, TN. Breakthrough curves (BTCs) of a conservative tracer (bromide) and a reactive compound (ethanol) are measured at multi-level sampling (MLS) wells and in extraction wells. The BTCs of both compounds are jointly analyzed to estimate the first-order degradation rate of ethanol. To quantify the tracer loss, we compare the approaches of using a scaling factor and a first-order decay term. Results show that by including a scaling factor both gamma distributions and inverse-Gaussian distributions (transfer functions according to the advection-dispersion equation) are suitable to approximate the transfer functions and estimate the reactive rate coefficients for both MLS and extraction wells. However, using a first-order decay term for tracer loss fails to describe the BTCs at the extraction well, which is affected by the nonuniform distribution of travel paths.
International Nuclear Information System (INIS)
Y. Wu
2004-01-01
The purpose of this report is to document the unsaturated zone (UZ) flow models and submodels, as well as the flow fields that have been generated using the UZ flow model(s) of Yucca Mountain, Nevada. In this report, the term ''UZ model'' refers to the UZ flow model and the several submodels, which include tracer transport, temperature or ambient geothermal, pneumatic or gas flow, and geochemistry (chloride, calcite, and strontium) submodels. The term UZ flow model refers to the three-dimensional models used for calibration and simulation of UZ flow fields. This work was planned in the ''Technical Work Plan (TWP) for: Unsaturated Zone Flow Analysis and Model Report Integration'' (BSC 2004 [DIRS 169654], Section 1.2.7). The table of included Features, Events, and Processes (FEPs), Table 6.2-11, is different from the list of included FEPs assigned to this report in the ''Technical Work Plan for: Unsaturated Zone Flow Analysis and Model Report Integration'' (BSC 2004 [DIRS 169654], Table 2.1.5-1), as discussed in Section 6.2.6. The UZ model has revised, updated, and enhanced the previous UZ model (BSC 2001 [DIRS 158726]) by incorporating the repository design with new grids, recalibration of property sets, and more comprehensive validation effort. The flow fields describe fracture-fracture, matrix-matrix, and fracture-matrix liquid flow rates, and their spatial distributions as well as moisture conditions in the UZ system. These three-dimensional UZ flow fields are used directly by Total System Performance Assessment (TSPA). The model and submodels evaluate important hydrogeologic processes in the UZ as well as geochemistry and geothermal conditions. These provide the necessary framework to test hypotheses of flow and transport at different scales, and predict flow and transport behavior under a variety of climatic conditions. In addition, the limitations of the UZ model are discussed in Section 8.11
Directory of Open Access Journals (Sweden)
M. SUSITHRA
2017-01-01
Full Text Available Competitive trend towards restructuring and unbundling of transmission services has resulted in the need to discover the impact of a particular generator to load. This paper initially presents the analysis of three different reactive power valuation methods namely, Modified Ybus , Virtual flow approach and modified power flow tracing to compute the reactive power output from a particular generator to particular load. Among these methods, the modified power flow electricity tracing method is identified as the best method to trace the reactive power contribution from various reactive power sources to loads, transmission line, etc. Also this proposed method breakdown the total reactive power loss in a transmission line into components to be allocated to individual loads. Secondly, based on this Method a novel allocation method for reactive power service for practical system is proposed. Hence, this method can be useful in providing additional insight into power system operation and can be used to modify existing tariffs of charging for reactive power transmission loss and reactive power transmission services. Simulation and comparison results are shown by taking WSCC 9 and IEEE 30 bus system as test system.
Impact of reactive settler models on simulated WWTP performance
DEFF Research Database (Denmark)
Gernaey, Krist; Jeppsson, Ulf; Batstone, Damien J.
2006-01-01
for an ASM1 case study. Simulations with a whole plant model including the non-reactive Takacs settler model are used as a reference, and are compared to simulation results considering two reactive settler models. The first is a return sludge model block removing oxygen and a user-defined fraction of nitrate......, combined with a non-reactive Takacs settler. The second is a fully reactive ASM1 Takacs settler model. Simulations with the ASM1 reactive settler model predicted a 15.3% and 7.4% improvement of the simulated N removal performance, for constant (steady-state) and dynamic influent conditions respectively....... The oxygen/nitrate return sludge model block predicts a 10% improvement of N removal performance under dynamic conditions, and might be the better modelling option for ASM1 plants: it is computationally more efficient and it will not overrate the importance of decay processes in the settler....
International Nuclear Information System (INIS)
Delaje, Dzh.
1984-01-01
General hypothesis used to simplify the equations, describing two-phase flows, are considered. Two-component and one-component models of two-phase flow, as well as Zuber and Findlay model for actual volumetric steam content, and Wallis model, describing the given phase rates, are presented. The conclusion is made, that the two-component model, in which values averaged in time are included, is applicable for the solving of three-dimensional tasks for unsteady two-phase flow. At the same time, using the two-component model, including values, averaged in space only one-dimensional tasks for unsteady two-phase flow can be solved
International Nuclear Information System (INIS)
Viswanathan, H.S.
1995-01-01
The finite element code FEHMN is a three-dimensional finite element heat and mass transport simulator that can handle complex stratigraphy and nonlinear processes such as vadose zone flow, heat flow and solute transport. Scientists at LANL have been developed hydrologic flow and transport models of the Yucca Mountain site using FEHMN. Previous FEHMN simulations have used an equivalent K d model to model solute transport. In this thesis, FEHMN is modified making it possible to simulate the transport of a species with a rigorous chemical model. Including the rigorous chemical equations into FEHMN simulations should provide for more representative transport models for highly reactive chemical species. A fully kinetic formulation is chosen for the FEHMN reactive transport model. Several methods are available to computationally implement a fully kinetic formulation. Different numerical algorithms are investigated in order to optimize computational efficiency and memory requirements of the reactive transport model. The best algorithm of those investigated is then incorporated into FEHMN. The algorithm chosen requires for the user to place strongly coupled species into groups which are then solved for simultaneously using FEHMN. The complete reactive transport model is verified over a wide variety of problems and is shown to be working properly. The simulations demonstrate that gas flow and carbonate chemistry can significantly affect 14 C transport at Yucca Mountain. The simulations also provide that the new capabilities of FEHMN can be used to refine and buttress already existing Yucca Mountain radionuclide transport studies
Localized reactive flow in carbonate rocks: Core-flood experiments and network simulations
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.
New chemical-DSMC method in numerical simulation of axisymmetric rarefied reactive flow
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
International Nuclear Information System (INIS)
Dixon, P.
2004-01-01
The purpose of this Model Report is to document the unsaturated zone (UZ) fluid flow and tracer transport models and submodels as well as the flow fields generated utilizing the UZ Flow and Transport Model of Yucca Mountain (UZ Model), Nevada. This work was planned in ''Technical Work Plan (TWP) for: Performance Assessment Unsaturated Zone'' (BSC 2002 [160819], Section 1.10, Work Package AUZM06). The UZ Model has revised, updated, and enhanced the previous UZ Flow Model REV 00 ICN 01 (BSC 2001 [158726]) by incorporation of the conceptual repository design with new grids, recalibration of property sets, and more comprehensive validation effort. The flow fields describe fracture-fracture, matrix-matrix, and fracture-matrix liquid flow rates and their spatial distributions as well as moisture conditions in the UZ system. These 3-D UZ flow fields are used directly by Performance Assessment (PA). The model and submodels evaluate important hydrogeologic processes in the UZ as well as geochemistry and geothermal conditions. These provide the necessary framework to test conceptual hypotheses of flow and transport at different scales and predict flow and transport behavior under a variety of climatic conditions. In addition, this Model Report supports several PA activities, including abstractions, particle-tracking transport simulations, and the UZ Radionuclide Transport Model
Energy Technology Data Exchange (ETDEWEB)
P. Dixon
2004-02-11
The purpose of this Model Report is to document the unsaturated zone (UZ) fluid flow and tracer transport models and submodels as well as the flow fields generated utilizing the UZ Flow and Transport Model of Yucca Mountain (UZ Model), Nevada. This work was planned in ''Technical Work Plan (TWP) for: Performance Assessment Unsaturated Zone'' (BSC 2002 [160819], Section 1.10, Work Package AUZM06). The UZ Model has revised, updated, and enhanced the previous UZ Flow Model REV 00 ICN 01 (BSC 2001 [158726]) by incorporation of the conceptual repository design with new grids, recalibration of property sets, and more comprehensive validation effort. The flow fields describe fracture-fracture, matrix-matrix, and fracture-matrix liquid flow rates and their spatial distributions as well as moisture conditions in the UZ system. These 3-D UZ flow fields are used directly by Performance Assessment (PA). The model and submodels evaluate important hydrogeologic processes in the UZ as well as geochemistry and geothermal conditions. These provide the necessary framework to test conceptual hypotheses of flow and transport at different scales and predict flow and transport behavior under a variety of climatic conditions. In addition, this Model Report supports several PA activities, including abstractions, particle-tracking transport simulations, and the UZ Radionuclide Transport Model.
A heuristic technique to determine corrective control actions for reactive power flows
Energy Technology Data Exchange (ETDEWEB)
Trigo, Angel L.; Martinez, Jose L.; Riquelme, Jesus; Romero, Esther [Department of Electrical Engineering, University of Sevilla (Spain)
2011-01-15
This paper presents a sensitivity-based heuristic tool designed to help the system operator in the reactive power flow control problem. The objective of the proposed technique is to determine control actions to ensure that reactive power flows in transmission-subtransmission boundary transformers remain within specified limits, satisfying the new regulatory constraints imposed in most of deregulated markets. With this new constraint the utilities want to guarantee that the utility is able to satisfy its own reactive power requirements, avoiding reactive power flows through long distances in order to reduce the well known disadvantages that reactive power circulation has in the system. A 5-bus tutorial system is used to present the proposed algorithm. The results of the application of the proposed technique to the IEEE 118 buses system and to a regional subtransmission network of the South of Spain are reported and analyzed. In this last actual case, the aim is to maintain reactive power flows in transmission/distribution transformers between those limits set by the Spanish Regulation. A comparison between the proposed tool and a conventional OPF is discussed. (author)
Specific features of the flow structure in a reactive type turbine stage
Chernikov, V. A.; Semakina, E. Yu.
2017-04-01
The results of experimental studies of the gas dynamics for a reactive type turbine stage are presented. The objective of the studies is the measurement of the 3D flow fields in reference cross sections, experimental determination of the stage characteristics, and analysis of the flow structure for detecting the sources of kinetic energy losses. The integral characteristics of the studied stage are obtained by averaging the results of traversing the 3D flow over the area of the reference cross sections before and behind the stage. The averaging is performed using the conservation equations for mass, total energy flux, angular momentum with respect to the axis z of the turbine, entropy flow, and the radial projection of the momentum flux equation. The flow parameter distributions along the channel height behind the stage are obtained in the same way. More thorough analysis of the flow structure is performed after interpolation of the experimentally measured point parameter values and 3D flow velocities behind the stage. The obtained continuous velocity distributions in the absolute and relative coordinate systems are presented in the form of vector fields. The coordinates of the centers and the vectors of secondary vortices are determined using the results of point measurements of velocity vectors in the cross section behind the turbine stage and their subsequent interpolation. The approach to analysis of experimental data on aerodynamics of the turbine stage applied in this study allows one to find the detailed space structure of the working medium flow, including secondary coherent vortices at the root and peripheral regions of the air-gas part of the stage. The measured 3D flow parameter fields and their interpolation, on the one hand, point to possible sources of increased power losses, and, on the other hand, may serve as the basis for detailed testing of CFD models of the flow using both integral and local characteristics. The comparison of the numerical and
Kittell, D. E.; Yarrington, C. D.; Lechman, J. B.; Baer, M. R.
2018-05-01
A new paradigm is introduced for modeling reactive shock waves in heterogeneous solids at the continuum level. Inspired by the probability density function methods from turbulent reactive flows, it is hypothesized that the unreacted material microstructures lead to a distribution of heat release rates from chemical reaction. Fluctuations in heat release, rather than velocity, are coupled to the reactive Euler equations which are then solved via the Riemann problem. A numerically efficient, one-dimensional hydrocode is used to demonstrate this new approach, and simulation results of a representative impact calculation (inert flyer into explosive target) are discussed.
Light Water Breeder Reactor (LWBR) flow coefficient of reactivity: (LWBR Development Program)
International Nuclear Information System (INIS)
Sarber, W.K.; Stout, J.W.; Atherton, R.
1987-06-01
This report discusses the results of an experimental program to measure and categorize the causes for increases in the magnitude of the LWBR flow coefficient of reactivity at 10,932 EFPH from previously measured near zero values to a value of about 6 x 10 -4 Δ rho for a flow decrease from 100 to 80% of full flow. Reactor protection analyses confirmed that existing protection systems were adequate for continued operation. Subsequently, the flow coefficient decreased in magnitude to approximately 2.25 x 10 -4 Δ rho at 20,000 EFPH and remained about constant through the remainder of core life, 29,047 EFPH. The increase in flow coefficient of reactivity is attributed to a flow-force dependent change in the effective core diameter such that an increase in core flow decreased the core diameter, resulting in an increase in fuel-to-water ratio and a consequent decrease in the reactivity of this relatively undermoderated core. This report discusses why the increased flow coefficient did not occur until after 10,932 EFPH and why the magnitude of flow coefficient reduced with continued core operation
Strategies for measuring flows of reactive nitrogen at the landscape scale
DEFF Research Database (Denmark)
Theobald, M.R.; Akkal, N.; Bienkowski, J.
2011-01-01
Within a rural landscape there are flows of reactive nitrogen (Nr) through and between the soil, vegetation, atmosphere and hydrological systems as well as transfer as a result of agricultural activities. Measurements of these flows and transfers have generally been limited to individual media (e.......g., hydrological flows) or the interface between two media (e.g., exchange between the soil and the atmosphere). However, the study of flows of Nr at the landscape scale requires a more integrated approach that combines measurement techniques to quantify the flows from one medium to the next. This paper discusses...
Reactive burn models and ignition & growth concept
Directory of Open Access Journals (Sweden)
Shaw M.S.
2011-01-01
Full Text Available Plastic-bonded explosives are heterogeneous materials. Experimentally, shock initiation is sensitive to small amounts of porosity, due to the formation of hot spots (small localized regions of high temperature. This leads to the Ignition & Growth concept, introduced by LeeTarver in 1980, as the basis for reactive burn models. A homo- genized burn rate needs to account for three meso-scale physical effects: (i the density of active hot spots or burn centers; (ii the growth of the burn fronts triggered by the burn centers; (iii a geometric factor that accounts for the overlap of deflagration wavelets from adjacent burn centers. These effects can be combined and the burn model defined by specifying the reaction progress variable λ = g(s as a function of a dimensionless reaction length s(t = rbc/ℓbc, rather than by specifying an explicit burn rate. The length scale ℓbc(Ps = [Nbc(Ps]−1/3 is the average distance between burn centers, where Nbc is the number density of burn centers activated by the lead shock. The reaction length rbc(t = ∫t0 D(P(t′dt′ is the distance the burn front propagates from a single burn center, where D(P is the deflagration speed as a function of the local pressure and t is the time since the shock arrival. A key implementation issue is how to determine the lead shock strength in conjunction with a shock capturing scheme. We have developed a robust algorithm for this purpose based on the Hugoniot jump condition for the energy. The algorithm utilizes the time dependence of density, pressure and energy within each cell. The method is independent of the numerical dissipation used for shock capturing. It is local and can be used in one or more space dimensions. The burn model has a small number of parameters which can be calibrated to fit velocity gauge data from shock initiation experiments.
Exploring the interaction between flows and composition in reactive distillation
DEFF Research Database (Denmark)
Estrada-Villagrana, A.D.; Bogle, I. David L.; Cisneros, Eduardo Salvador P.
1999-01-01
In this paper a new equilibrium approach is used to simulate the closed loop behaviour of the MTBE production process to study the interactions between flows and composition. This will facilitate the application of the existing methods for analysis of distillation systems. Results show that the o......In this paper a new equilibrium approach is used to simulate the closed loop behaviour of the MTBE production process to study the interactions between flows and composition. This will facilitate the application of the existing methods for analysis of distillation systems. Results show...
Modeling of Turbulent Swirling Flows
Shih, Tsan-Hsing; Zhu, Jiang; Liou, William; Chen, Kuo-Huey; Liu, Nan-Suey; Lumley, John L.
1997-01-01
Aircraft engine combustors generally involve turbulent swirling flows in order to enhance fuel-air mixing and flame stabilization. It has long been recognized that eddy viscosity turbulence models are unable to appropriately model swirling flows. Therefore, it has been suggested that, for the modeling of these flows, a second order closure scheme should be considered because of its ability in the modeling of rotational and curvature effects. However, this scheme will require solution of many complicated second moment transport equations (six Reynolds stresses plus other scalar fluxes and variances), which is a difficult task for any CFD implementations. Also, this scheme will require a large amount of computer resources for a general combustor swirling flow. This report is devoted to the development of a cubic Reynolds stress-strain model for turbulent swirling flows, and was inspired by the work of Launder's group at UMIST. Using this type of model, one only needs to solve two turbulence equations, one for the turbulent kinetic energy k and the other for the dissipation rate epsilon. The cubic model developed in this report is based on a general Reynolds stress-strain relationship. Two flows have been chosen for model evaluation. One is a fully developed rotating pipe flow, and the other is a more complex flow with swirl and recirculation.
Core2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
International Nuclear Information System (INIS)
Samper, J.; Juncosa, R.; Delgado, J.; Montenegro, L.
2000-01-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
Core 2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
Energy Technology Data Exchange (ETDEWEB)
Samper, J; Juncosa, R; Delgado, J; Montenegro, L [Universidad de A Coruna (Spain)
2000-07-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
Core 2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
Energy Technology Data Exchange (ETDEWEB)
Samper, J.; Juncosa, R.; Delgado, J.; Montenegro, L. [Universidad de A Coruna (Spain)
2000-07-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
Reactive Power Pricing Model Considering the Randomness of Wind Power Output
Dai, Zhong; Wu, Zhou
2018-01-01
With the increase of wind power capacity integrated into grid, the influence of the randomness of wind power output on the reactive power distribution of grid is gradually highlighted. Meanwhile, the power market reform puts forward higher requirements for reasonable pricing of reactive power service. Based on it, the article combined the optimal power flow model considering wind power randomness with integrated cost allocation method to price reactive power. Meanwhile, considering the advantages and disadvantages of the present cost allocation method and marginal cost pricing, an integrated cost allocation method based on optimal power flow tracing is proposed. The model realized the optimal power flow distribution of reactive power with the minimal integrated cost and wind power integration, under the premise of guaranteeing the balance of reactive power pricing. Finally, through the analysis of multi-scenario calculation examples and the stochastic simulation of wind power outputs, the article compared the results of the model pricing and the marginal cost pricing, which proved that the model is accurate and effective.
Thermal ignition in a reactive variable viscosity Poiseuille flow ...
African Journals Online (AJOL)
In this paper, we investigate the thermal ignition in a strongly exothermic reaction of a variable viscosity combustible material flowing through a channel with isothermal walls under Arrhenius kinetics, neglecting the consumption of the material. Analytical solutions are constructed for the governing nonlinear boundary-value ...
Vortices generation in the reactive flow on the evaporative surface
Energy Technology Data Exchange (ETDEWEB)
Park, Cha Ryeom; Lee, Chang Jin [Konkuk University, Seoul (Korea, Republic of)
2015-02-15
Vortices generation and flow dynamics are investigated by a numerical calculation with LES methodology on the evaporative surface including chemical reactions. For simplicity, fuel is radially injected from the surface in order to decouple pyrolysis of solid fuel from the governing equation and consideration of heat transfer balance. Nevertheless its simple treatment of chemical reactions and fuel pyrolysis, numerical results captured very fundamental understandings in terms of averaged temperature, velocity profile, and mixture fraction distribution. Results showed that a well-defined turbulent velocity profile at the inlet becomes twisted and highly wrinkled in the downstream reaching the maximum velocity at far above the surface, where the flame is located. And the thickness of boundary layer increases in the downstream due to the enhanced interaction of axial flow and mass injection from the surface. Also, chemical reaction appears highly active and partially concentrated along the plane where flow condition is in stoichiometric. In particular, flame front locates at the surface where mixture fraction Z equals to 0.07. Flame front severely wrinkles in the downstream by the interaction with turbulences in the flow. Partial reactions on the flame front contribute to produce hot spots periodically in the downstream attaining the max temperature at the center of each spot. This may take the role of additional unsteady heat generations and pressure perturbations in the downstream. Future study will focus on the evolution of hot spots and pressure perturbations in the post chamber of lab scale hybrid rocket motors.
PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers
Energy Technology Data Exchange (ETDEWEB)
Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan; Mills, Richard T.
2012-04-18
PFLOTRAN, a next-generation reactive flow and transport code for modeling subsurface processes, has been designed from the ground up to run efficiently on machines ranging from leadership-class supercomputers to laptops. Based on an object-oriented design, the code is easily extensible to incorporate additional processes. It can interface seamlessly with Fortran 9X, C and C++ codes. Domain decomposition parallelism is employed, with the PETSc parallel framework used to manage parallel solvers, data structures and communication. Features of the code include a modular input file, implementation of high-performance I/O using parallel HDF5, ability to perform multiple realization simulations with multiple processors per realization in a seamless manner, and multiple modes for multiphase flow and multicomponent geochemical transport. Chemical reactions currently implemented in the code include homogeneous aqueous complexing reactions and heterogeneous mineral precipitation/dissolution, ion exchange, surface complexation and a multirate kinetic sorption model. PFLOTRAN has demonstrated petascale performance using 2{sup 17} processor cores with over 2 billion degrees of freedom. Accomplishments achieved to date include applications to the Hanford 300 Area and modeling CO{sub 2} sequestration in deep geologic formations.
Uncertainty in reactive transport geochemical modelling
International Nuclear Information System (INIS)
Oedegaard-Jensen, A.; Ekberg, C.
2005-01-01
Full text of publication follows: Geochemical modelling is one way of predicting the transport of i.e. radionuclides in a rock formation. In a rock formation there will be fractures in which water and dissolved species can be transported. The composition of the water and the rock can either increase or decrease the mobility of the transported entities. When doing simulations on the mobility or transport of different species one has to know the exact water composition, the exact flow rates in the fracture and in the surrounding rock, the porosity and which minerals the rock is composed of. The problem with simulations on rocks is that the rock itself it not uniform i.e. larger fractures in some areas and smaller in other areas which can give different water flows. The rock composition can be different in different areas. In additions to this variance in the rock there are also problems with measuring the physical parameters used in a simulation. All measurements will perturb the rock and this perturbation will results in more or less correct values of the interesting parameters. The analytical methods used are also encumbered with uncertainties which in this case are added to the uncertainty from the perturbation of the analysed parameters. When doing simulation the effect of the uncertainties must be taken into account. As the computers are getting faster and faster the complexity of simulated systems are increased which also increase the uncertainty in the results from the simulations. In this paper we will show how the uncertainty in the different parameters will effect the solubility and mobility of different species. Small uncertainties in the input parameters can result in large uncertainties in the end. (authors)
Energy Technology Data Exchange (ETDEWEB)
Y. Wu
2004-11-01
The purpose of this report is to document the unsaturated zone (UZ) flow models and submodels, as well as the flow fields that have been generated using the UZ flow model(s) of Yucca Mountain, Nevada. In this report, the term ''UZ model'' refers to the UZ flow model and the several submodels, which include tracer transport, temperature or ambient geothermal, pneumatic or gas flow, and geochemistry (chloride, calcite, and strontium) submodels. The term UZ flow model refers to the three-dimensional models used for calibration and simulation of UZ flow fields. This work was planned in the ''Technical Work Plan (TWP) for: Unsaturated Zone Flow Analysis and Model Report Integration'' (BSC 2004 [DIRS 169654], Section 1.2.7). The table of included Features, Events, and Processes (FEPs), Table 6.2-11, is different from the list of included FEPs assigned to this report in the ''Technical Work Plan for: Unsaturated Zone Flow Analysis and Model Report Integration'' (BSC 2004 [DIRS 169654], Table 2.1.5-1), as discussed in Section 6.2.6. The UZ model has revised, updated, and enhanced the previous UZ model (BSC 2001 [DIRS 158726]) by incorporating the repository design with new grids, recalibration of property sets, and more comprehensive validation effort. The flow fields describe fracture-fracture, matrix-matrix, and fracture-matrix liquid flow rates, and their spatial distributions as well as moisture conditions in the UZ system. These three-dimensional UZ flow fields are used directly by Total System Performance Assessment (TSPA). The model and submodels evaluate important hydrogeologic processes in the UZ as well as geochemistry and geothermal conditions. These provide the necessary framework to test hypotheses of flow and transport at different scales, and predict flow and transport behavior under a variety of climatic conditions. In addition, the limitations of the UZ model are discussed in Section 8.11.
Effect of 3-D moderator flow configurations on the reactivity of CANDU nuclear reactors
International Nuclear Information System (INIS)
Zadeh, Foad Mehdi; Etienne, Stephane; Chambon, Richard; Marleau, Guy; Teyssedou, Alberto
2017-01-01
Highlights: • 3-D CFD simulations of CANDU-6 moderator flows are presented. • A thermal-hydraulic code using thermal physical fluid properties is used. • The numerical approach and convergence is validated against available data. • Flow configurations are correlated using Richardson’s number. • The interaction between moderator temperatures with reactivity is determined. - Abstract: The reactivity of nuclear reactors can be affected by thermal conditions prevailing within the moderator. In CANDU reactors, the moderator and the coolant are mechanically separated but not necessarily thermally isolated. Hence, any variation of moderator flow properties may change the reactivity. Until now, nuclear reactor calculations have been performed by assuming uniform moderator flow temperature distribution. However, CFD simulations have predicted large time dependent flow fluctuations taking place inside the calandria, which can bring about local temperature variations that can exceed 50 °C. This paper presents robust CANDU 3-D CFD moderator simulations coupled to neutronic calculations. The proposed methodology makes it possible to study not only different moderator flow configurations but also their effects on the reactor reactivity coefficient.
Modelling atmospheric OH-reactivity in a boreal forest ecosystem
DEFF Research Database (Denmark)
Mogensen, D.; Smolander, S.; Sogachev, Andrey
2011-01-01
We have modelled the total atmospheric OH-reactivity in a boreal forest and investigated the individual contributions from gas phase inorganic species, isoprene, monoterpenes, and methane along with other important VOCs. Daily and seasonal variation in OH-reactivity for the year 2008 was examined...
Parameters estimation for reactive transport: A way to test the validity of a reactive model
Aggarwal, Mohit; Cheikh Anta Ndiaye, Mame; Carrayrou, Jérôme
The chemical parameters used in reactive transport models are not known accurately due to the complexity and the heterogeneous conditions of a real domain. We will present an efficient algorithm in order to estimate the chemical parameters using Monte-Carlo method. Monte-Carlo methods are very robust for the optimisation of the highly non-linear mathematical model describing reactive transport. Reactive transport of tributyltin (TBT) through natural quartz sand at seven different pHs is taken as the test case. Our algorithm will be used to estimate the chemical parameters of the sorption of TBT onto the natural quartz sand. By testing and comparing three models of surface complexation, we show that the proposed adsorption model cannot explain the experimental data.
Reactive Flow Control of Delta Wing Vortex (Postprint)
2006-08-01
wing aircraft. A substantial amount of research has been dedicated to the control of aerodynamic flows using both passive and active control mechanisms...Passive vortex control devices such as vortex generators and winglets attach to the wing and require no energy input. Passive vortex control...leading edges is also effective for changing the aerodynamic characteristics of delta wings [2] [3]. Gutmark and Guillot [5] proposed controlling
Application of Newton's optimal power flow in voltage/reactive power control
Energy Technology Data Exchange (ETDEWEB)
Bjelogrlic, M.; Babic, B.S. (Electric Power Board of Serbia, Belgrade (YU)); Calovic, M.S. (Dept. of Electrical Engineering, University of Belgrade, Belgrade (YU)); Ristanovic, P. (Institute Nikola Tesla, Belgrade (YU))
1990-11-01
This paper considers an application of Newton's optimal power flow to the solution of the secondary voltage/reactive power control in transmission networks. An efficient computer program based on the latest achievements in the sparse matrix/vector techniques has been developed for this purpose. It is characterized by good robustness, accuracy and speed. A combined objective function appropriate for various system load levels with suitable constraints, for treatment of the power system security and economy is also proposed. For the real-time voltage/reactive power control, a suboptimal power flow procedure has been derived by using the reduced set of control variables. This procedure is based on the sensitivity theory applied to the determination of zones for the secondary voltage/reactive power control and corresponding reduced set of regulating sources, whose reactive outputs represent control variables in the optimal power flow program. As a result, the optimal power flow program output becomes a schedule to be used by operators in the process of the real-time voltage/reactive power control in both normal and emergency operating states.
A model for post-occlusive reactive hyperemia as measured with laser-Doppler perfusion monitoring
de Mul, FFM; Morales, F; Smit, AJ; Graaff, R
To facilitate the quantitative analysis of post-occlusive reactive fiyper emia (POR11), measured with laser-Doppler perfusion monitoring (LDPM) on extremities, we present a flow model for the dynamics of the perfusion of the tissue during PORH, based on three parameters: two time constants (tau(1)
Centrifuge modelling of granular flows
Cabrera, Miguel Angel; Wu, Wei
2015-04-01
A common characteristic of mass flows like debris flows, rock avalanches and mudflows is that gravity is their main driving force. Gravity defines the intensity and duration of the main interactions between particles and their surrounding media (particle-particle, particle-fluid, fluid-fluid). At the same time, gravity delimits the occurrence of phase separation, inverse segregation, and mass consolidation, among other phenomena. Therefore, in the understanding of the flow physics it is important to account for the scaling of gravity in scaled models. In this research, a centrifuge model is developed to model free surface granular flows down an incline at controlled gravity conditions. Gravity is controlled by the action of an induced inertial acceleration field resulting from the rotation of the model in a geotechnical centrifuge. The characteristics of the induced inertial acceleration field during flow are discussed and validated via experimental data. Flow heights, velocity fields, basal pressure and impact forces are measured for a range of channel inclinations and gravity conditions. Preliminary results enlighten the flow characteristics at variable gravity conditions and open a discussion on the simulation of large scale processes at a laboratory scale. Further analysis on the flow physics brings valuable information for the validation of granular flows rheology.
Tangential stretching rate (TSR) analysis of non premixed reactive flows
Valorani, Mauro; Ciottoli, Pietro Paolo; Galassi, Riccardo Malpica
2016-01-01
with 12 species and 33 chemical reactions is employed. We will discuss two cases, one involving only kinetics as a model of front propagation purely driven by spontaneous ignition, the other as a model of deflagration wave involving kinetics
Coupled hydrogeological and reactive transport modelling of the Simpevarp area (Sweden)
International Nuclear Information System (INIS)
Molinero, Jorge; Raposo, Juan R.; Galindez, Juan M.; Arcos, David; Guimera, Jordi
2008-01-01
The Simpevarp area is one of the alternative sites being considered for the deep geological disposal of high level radioactive waste in Sweden. In this paper, a coupled regional groundwater flow and reactive solute transport model of the Simpevarp area is presented that integrates current hydrogeological and hydrochemical data of the area. The model simulates the current hydrochemical pattern of the groundwater system in the area. To that aim, a conceptual hydrochemical model was developed in order to represent the dominant chemical processes. Groundwater flow conditions were reproduced by taking into account fluid-density-dependent groundwater flow and regional hydrogeologic boundary conditions. Reactive solute transport calculations were performed on the basis of the velocity field so obtained. The model was calibrated and sensitivity analyses were carried out in order to investigate the effects of heterogeneities of hydraulic conductivity in the subsurface medium. Results provided by the reactive transport model are in good agreement with much of the measured hydrochemical data. This paper emphasizes the appropriateness of the use of reactive solute transport models when water-rock interaction reactions are involved, and demonstrates what powerful tools they are for the interpretation of hydrogeological and hydrochemical data from site geological repository characterization programs, by providing a qualitative framework for data analysis and testing of conceptual assumptions in a process-oriented approach
Experimental and numerical investigation of reactive shock-accelerated flows
Energy Technology Data Exchange (ETDEWEB)
Bonazza, Riccardo [Univ. of Wisconsin, Madison, WI (United States). Dept. of Engineering Physics
2016-12-20
The main goal of this program was to establish a qualitative and quantitative connection, based on the appropriate dimensionless parameters and scaling laws, between shock-induced distortion of astrophysical plasma density clumps and their earthbound analog in a shock tube. These objectives were pursued by carrying out laboratory experiments and numerical simulations to study the evolution of two gas bubbles accelerated by planar shock waves and compare the results to available astrophysical observations. The experiments were carried out in an vertical, downward-firing shock tube, 9.2 m long, with square internal cross section (25×25 cm^{2}). Specific goals were to quantify the effect of the shock strength (Mach number, M) and the density contrast between the bubble gas and its surroundings (usually quantified by the Atwood number, i.e. the dimensionless density difference between the two gases) upon some of the most important flow features (e.g. macroscopic properties; turbulence and mixing rates). The computational component of the work performed through this program was aimed at (a) studying the physics of multi-phase compressible flows in the context of astrophysics plasmas and (b) providing a computational connection between laboratory experiments and the astrophysical application of shock-bubble interactions. Throughout the study, we used the FLASH4.2 code to run hydrodynamical and magnetohydrodynamical simulations of shock bubble interactions on an adaptive mesh.
Experimental and numerical investigation of reactive shock-accelerated flows
International Nuclear Information System (INIS)
Bonazza, Riccardo
2016-01-01
The main goal of this program was to establish a qualitative and quantitative connection, based on the appropriate dimensionless parameters and scaling laws, between shock-induced distortion of astrophysical plasma density clumps and their earthbound analog in a shock tube. These objectives were pursued by carrying out laboratory experiments and numerical simulations to study the evolution of two gas bubbles accelerated by planar shock waves and compare the results to available astrophysical observations. The experiments were carried out in an vertical, downward-firing shock tube, 9.2 m long, with square internal cross section (25x25 cm"2). Specific goals were to quantify the effect of the shock strength (Mach number, M) and the density contrast between the bubble gas and its surroundings (usually quantified by the Atwood number, i.e. the dimensionless density difference between the two gases) upon some of the most important flow features (e.g. macroscopic properties; turbulence and mixing rates). The computational component of the work performed through this program was aimed at (a) studying the physics of multi-phase compressible flows in the context of astrophysics plasmas and (b) providing a computational connection between laboratory experiments and the astrophysical application of shock-bubble interactions. Throughout the study, we used the FLASH4.2 code to run hydrodynamical and magnetohydrodynamical simulations of shock bubble interactions on an adaptive mesh.
Isothermal and Reactive Turbulent Jets in Cross-Flow
Gutmark, Ephraim; Bush, Scott; Ibrahim, Irene
2004-11-01
Jets in cross flow have numerous applications including vertical/short takeoff/landing (V/STOL) aircraft, cooling jets for gas turbine blades and combustion air supply inlets in gas turbine engine. The properties exhibited by these jets are dictated by complex three dimensional turbulence structures which form due to the interaction of the jet with the freestream. The isothermal tests are conducted in a wind tunnel measuring the characteristics of air jets injected perpendicular into an otherwise undisturbed air stream. Different nozzle exit geometries of the air jets were tested including circular, triangular and elongated configurations. Jets are injected in single and paired combinations with other jets to measure the effect of mutual interaction on the parameters mentioned. Quantitative velocity fields are obtained using PIV. The data obtained allows the extraction of flow parameters such as jet structure, penetration and mixing. The reacting tests include separate and combined jets of fuel/air mixture utilized to explore the stabilization of combustion at various operating conditions. Different geometrical configurations of transverse jets are tested to determine the shape and combination of jets that will optimize the jets ability to successfully stabilize a flame.
Adaptive discontinuous Galerkin methods for non-linear reactive flows
Uzunca, Murat
2016-01-01
The focus of this monograph is the development of space-time adaptive methods to solve the convection/reaction dominated non-stationary semi-linear advection diffusion reaction (ADR) equations with internal/boundary layers in an accurate and efficient way. After introducing the ADR equations and discontinuous Galerkin discretization, robust residual-based a posteriori error estimators in space and time are derived. The elliptic reconstruction technique is then utilized to derive the a posteriori error bounds for the fully discrete system and to obtain optimal orders of convergence. As coupled surface and subsurface flow over large space and time scales is described by (ADR) equation the methods described in this book are of high importance in many areas of Geosciences including oil and gas recovery, groundwater contamination and sustainable use of groundwater resources, storing greenhouse gases or radioactive waste in the subsurface.
Characteristics of flow and reactive pollutant dispersion in urban street canyons
Park, Soo-Jin; Kim, Jae-Jin; Kim, Minjoong J.; Park, Rokjin J.; Cheong, Hyeong-Bin
2015-05-01
In this study, the effects of aspect ratio defined as the ratio of building height to street width on the dispersion of reactive pollutants in street canyons were investigated using a coupled CFD-chemistry model. Flow characteristics for different aspect ratios were analyzed first. For each aspect ratio, six emission scenarios with different VOC-NOX ratios were considered. One vortex was generated when the aspect ratio was less than 1.6 (shallow street canyon). When the aspect ratio was greater than 1.6 (deep street canyon), two vortices were formed in the street canyons. Comparing to previous studies on two-dimensional street canyons, the vortex center is slanted toward the upwind building and reverse and downward flows are dominant in street canyons. Near the street bottom, there is a marked difference in flow pattern between in shallow and deep street canyons. Near the street bottom, reverse and downward flows are dominant in shallow street canyon and flow convergence exists near the center of the deep street canyons, which induces a large difference in the NOX and O3 dispersion patterns in the street canyons. NOX concentrations are high near the street bottom and decreases with height. The O3 concentrations are low at high NO concentrations near the street bottom because of NO titration. At a low VOC-NOX ratio, the NO concentrations are sufficiently high to destroy large amount of O3 by titration, resulting in an O3 concentration in the street canyon much lower than the background concentration. At high VOC-NOX ratios, a small amount of O3 is destroyed by NO titration in the lower layer of the street canyons. However, in the upper layer, O3 is formed through the photolysis of NO2 by VOC degradation reactions. As the aspect ratio increases, NOX (O3) concentrations averaged over the street canyons decrease (increase) in the shallow street canyons. This is because outward flow becomes strong and NOX flux toward the outsides of the street canyons increases
International Nuclear Information System (INIS)
Zuber, A.
1983-01-01
A review and discussion is given of mathematical models used for interpretation of tracer experiments in hydrology. For dispersion model, different initial and boundary conditions are related to different injection and detection modes. Examples of applications of various models are described and commented. (author)
Effect of Anisotropy Structure on Plume Entropy and Reactive Mixing in Helical Flows
DEFF Research Database (Denmark)
Ye, Yu; Chiogna, Gabriele; Lu, Chunhui
2018-01-01
Plume dilution and reactive mixing can be considerably enhanced by helical flows occurring in three-dimensional anisotropic porous media. In this study, we perform conservative and reactive transport simulations considering different anisotropy structures of a single inclusion with the objective...... of exploring the effect of the inclusion’s geometry and orientation on the patterns of twisted streamlines and on the overall dilution and reaction of solute plumes. We analyzed 100 different scenarios by varying key parameters such as the angle of the anisotropic structures with respect to the average flow...... velocity, the spacing between alternated heterogeneous zones of coarse and fine materials, the permeability contrast between such matrices, and the magnitude of the seepage velocity. Entropy conservation equations and entropy-based metrics for both conservative and reactive species were adopted to quantify...
Turbulence models in supersonic flows
International Nuclear Information System (INIS)
Shirani, E.; Ahmadikia, H.; Talebi, S.
2001-05-01
The aim of this paper is to evaluate five different turbulence models when used in rather complicated two-dimensional and axisymmetric supersonic flows. They are Baldwin-Lomax, k-l, k-ε, k-ω and k-ζ turbulence models. The compressibility effects, axisymmetric correction terms and some modifications for transition region are used and tested in the models. Two computer codes based on the control volume approach and two flux-splitting methods. Roe and Van Leer, are developed. The codes are used to simulate supersonic mixing layers, flow behind axisymmetric body, under expanded jet, and flow over hollow cylinder flare. The results are compared with experimental data and behavior of the turbulence models is examined. It is shown that both k-l and k-ζ models produce very good results. It is also shown that the compressibility correction in the model is required to obtain more accurate results. (author)
International Nuclear Information System (INIS)
Viswanathan, H.S.
1996-08-01
The finite element code FEHMN, developed by scientists at Los Alamos National Laboratory (LANL), is a three-dimensional finite element heat and mass transport simulator that can handle complex stratigraphy and nonlinear processes such as vadose zone flow, heat flow and solute transport. Scientists at LANL have been developing hydrologic flow and transport models of the Yucca Mountain site using FEHMN. Previous FEHMN simulations have used an equivalent Kd model to model solute transport. In this thesis, FEHMN is modified making it possible to simulate the transport of a species with a rigorous chemical model. Including the rigorous chemical equations into FEHMN simulations should provide for more representative transport models for highly reactive chemical species. A fully kinetic formulation is chosen for the FEHMN reactive transport model. Several methods are available to computationally implement a fully kinetic formulation. Different numerical algorithms are investigated in order to optimize computational efficiency and memory requirements of the reactive transport model. The best algorithm of those investigated is then incorporated into FEHMN. The algorithm chosen requires for the user to place strongly coupled species into groups which are then solved for simultaneously using FEHMN. The complete reactive transport model is verified over a wide variety of problems and is shown to be working properly. The new chemical capabilities of FEHMN are illustrated by using Los Alamos National Laboratory's site scale model of Yucca Mountain to model two-dimensional, vadose zone 14 C transport. The simulations demonstrate that gas flow and carbonate chemistry can significantly affect 14 C transport at Yucca Mountain. The simulations also prove that the new capabilities of FEHMN can be used to refine and buttress already existing Yucca Mountain radionuclide transport studies
Pichiorri, Floriana; Vicenzini, Edoardo; Gilio, Francesca; Giacomelli, Elena; Frasca, Vittorio; Cambieri, Chiara; Ceccanti, Marco; Di Piero, Vittorio; Inghilleri, Maurizio
2012-08-01
To determine whether intermittent theta burst stimulation influences cerebral hemodynamics, we investigated changes induced by intermittent theta burst stimulation on the middle cerebral artery cerebral blood flow velocity and vasomotor reactivity to carbon dioxide (CO(2)) in healthy participants. The middle cerebral artery flow velocity and vasomotor reactivity were monitored by continuous transcranial Doppler sonography. Changes in cortical excitability were tested by transcranial magnetic stimulation. In 11 healthy participants, before and immediately after delivering intermittent theta burst stimulation, we tested cortical excitability measured by the resting motor threshold and motor evoked potential amplitude over the stimulated hemisphere and vasomotor reactivity to CO(2) bilaterally. The blood flow velocity was monitored in both middle cerebral arteries throughout the experimental session. In a separate session, we tested the effects of sham stimulation under the same experimental conditions. Whereas the resting motor threshold remained unchanged before and after stimulation, motor evoked potential amplitudes increased significantly (P = .04). During and after stimulation, middle cerebral artery blood flow velocities also remained bilaterally unchanged, whereas vasomotor reactivity to CO(2) increased bilaterally (P = .04). The sham stimulation left all variables unchanged. The expected intermittent theta burst stimulation-induced changes in cortical excitability were not accompanied by changes in cerebral blood flow velocities; however, the bilateral increased vasomotor reactivity suggests that intermittent theta burst stimulation influences the cerebral microcirculation, possibly involving subcortical structures. These findings provide useful information on hemodynamic phenomena accompanying intermittent theta burst stimulation, which should be considered in research aimed at developing this noninvasive, low-intensity stimulation technique for safe
Predictive modeling of reactive wetting and metal joining.
Energy Technology Data Exchange (ETDEWEB)
van Swol, Frank B.
2013-09-01
The performance, reproducibility and reliability of metal joints are complex functions of the detailed history of physical processes involved in their creation. Prediction and control of these processes constitutes an intrinsically challenging multi-physics problem involving heating and melting a metal alloy and reactive wetting. Understanding this process requires coupling strong molecularscale chemistry at the interface with microscopic (diffusion) and macroscopic mass transport (flow) inside the liquid followed by subsequent cooling and solidification of the new metal mixture. The final joint displays compositional heterogeneity and its resulting microstructure largely determines the success or failure of the entire component. At present there exists no computational tool at Sandia that can predict the formation and success of a braze joint, as current capabilities lack the ability to capture surface/interface reactions and their effect on interface properties. This situation precludes us from implementing a proactive strategy to deal with joining problems. Here, we describe what is needed to arrive at a predictive modeling and simulation capability for multicomponent metals with complicated phase diagrams for melting and solidification, incorporating dissolutive and composition-dependent wetting.
Dynamic modeling of the isoamyl acetate reactive distillation process
Directory of Open Access Journals (Sweden)
Ali Syed Sadiq
2017-03-01
Full Text Available The cost-effectiveness of reactive distillation (RD processes makes them highly attractive for industrial applications. However, their preliminary design and subsequent scale-up and operation are challenging. Specifically, the response of RD system during fluctuations in process parameters is of paramount importance to ensure the stability of the whole process. As a result of carrying out simulations using Aspen Plus, it is shown that the RD process for isoamyl acetate production was much more economical than conventional reactor distillation configuration under optimized process conditions due to lower utilities consumption, higher conversion and smaller sizes of condenser and reboiler. Rigorous dynamic modeling of RD system was performed to evaluate its sensitivity to disturbances in critical process parameters; the product flow was quite sensitive to disturbances. Even more sensitive was product composition when the disturbance in heat duties of condenser or reboiler led to a temperature decrease. However, positive disturbance in alcohol feed is of particular concern, which clearly made the system unstable.
Hybrid finite-volume/transported PDF method for the simulation of turbulent reactive flows
Raman, Venkatramanan
A novel computational scheme is formulated for simulating turbulent reactive flows in complex geometries with detailed chemical kinetics. A Probability Density Function (PDF) based method that handles the scalar transport equation is coupled with an existing Finite Volume (FV) Reynolds-Averaged Navier-Stokes (RANS) flow solver. The PDF formulation leads to closed chemical source terms and facilitates the use of detailed chemical mechanisms without approximations. The particle-based PDF scheme is modified to handle complex geometries and grid structures. Grid-independent particle evolution schemes that scale linearly with the problem size are implemented in the Monte-Carlo PDF solver. A novel algorithm, in situ adaptive tabulation (ISAT) is employed to ensure tractability of complex chemistry involving a multitude of species. Several non-reacting test cases are performed to ascertain the efficiency and accuracy of the method. Simulation results from a turbulent jet-diffusion flame case are compared against experimental data. The effect of micromixing model, turbulence model and reaction scheme on flame predictions are discussed extensively. Finally, the method is used to analyze the Dow Chlorination Reactor. Detailed kinetics involving 37 species and 158 reactions as well as a reduced form with 16 species and 21 reactions are used. The effect of inlet configuration on reactor behavior and product distribution is analyzed. Plant-scale reactors exhibit quenching phenomena that cannot be reproduced by conventional simulation methods. The FV-PDF method predicts quenching accurately and provides insight into the dynamics of the reactor near extinction. The accuracy of the fractional time-stepping technique in discussed in the context of apparent multiple-steady states observed in a non-premixed feed configuration of the chlorination reactor.
Kim, E. R.; Kim, J.
2014-12-01
For decades, many metro‒ and/or mega‒cities have grown and densities of population and building have increased. Because pollutants released from sources near ground surface such as vehicles are not easy to escape from street canyons which are spaces between buildings standing along streets pedestrians, drivers and residents are likely to be exposed to high concentrations of hazardous pollutants. Therefore, it is important to understand characteristics of flow and pollutant dispersion in street canyons. In this study, step‒up street canyons with higher downwind buildings are considered for understanding flow and reactive pollutants' dispersion characteristics there as a basic step to understand the characteristics in wider urban areas. This study used a CFD model coupled to a chemistry module. Detailed flow and air pollutant concentration are analyzed in step‒up street canyons with different upwind building heights.
Bailey, Ryan T.; Morway, Eric D.; Niswonger, Richard G.; Gates, Timothy K.
2013-01-01
A numerical model was developed that is capable of simulating multispecies reactive solute transport in variably saturated porous media. This model consists of a modified version of the reactive transport model RT3D (Reactive Transport in 3 Dimensions) that is linked to the Unsaturated-Zone Flow (UZF1) package and MODFLOW. Referred to as UZF-RT3D, the model is tested against published analytical benchmarks as well as other published contaminant transport models, including HYDRUS-1D, VS2DT, and SUTRA, and the coupled flow and transport modeling system of CATHY and TRAN3D. Comparisons in one-dimensional, two-dimensional, and three-dimensional variably saturated systems are explored. While several test cases are included to verify the correct implementation of variably saturated transport in UZF-RT3D, other cases are included to demonstrate the usefulness of the code in terms of model run-time and handling the reaction kinetics of multiple interacting species in variably saturated subsurface systems. As UZF1 relies on a kinematic-wave approximation for unsaturated flow that neglects the diffusive terms in Richards equation, UZF-RT3D can be used for large-scale aquifer systems for which the UZF1 formulation is reasonable, that is, capillary-pressure gradients can be neglected and soil parameters can be treated as homogeneous. Decreased model run-time and the ability to include site-specific chemical species and chemical reactions make UZF-RT3D an attractive model for efficient simulation of multispecies reactive transport in variably saturated large-scale subsurface systems.
International Nuclear Information System (INIS)
Bacon, Diana H.; White, Mark D.; McGrail, B PETER
2004-01-01
The U.S. Department of Energy must approve a performance assessment (PA) to support the design, construction, approval, and closure of disposal facilities for immobilized low-activity waste (ILAW) currently stored in underground tanks at Hanford, Washington. A critical component of the PA is to provide quantitative estimates of radionuclide release rates from the engineered portion of the disposal facilities. Computer simulations are essential for this purpose because impacts on groundwater resources must be projected to periods of 10,000 years and longer. The computer code selected for simulating the radionuclide release rates is the Subsurface Transport Over Reactive Multiphases (STORM) simulator. The STORM simulator solves coupled conservation equations for component mass and energy that describe subsurface flow over aqueous and gas phases through variably saturated geologic media. The resulting flow fields are used to sequentially solve conservation equations for reactive aqueous phase transport through variably saturated geologic media. These conservation equations for component mass, energy, and solute mass are partial differential equations that mathematically describe flow and transport through porous media. The STORM simulator solves the governing-conservation equations and constitutive functions using numerical techniques for nonlinear systems. The partial differential equations governing thermal and fluid flow processes are solved by the integral volume finite difference method. These governing equations are solved simultaneously using Newton-Raphson iteration. The partial differential equations governing reactive solute transport are solved using either an operator split technique where geochemical reactions and solute transport are solved separately, or a fully coupled technique where these equations are solved simultaneously. The STORM simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards
Energy Technology Data Exchange (ETDEWEB)
Khattri, Sanjay Kumar
2006-07-01
The thesis is concerned with numerically simulating multicomponent, multiphase, reactive transport in heterogeneous porous medium. Such processes are ubiquitous, for example, deposition of green house gases, flow of hydrocarbons and groundwater remediation. Understanding such processes is important from social and economic point of view. For the success of geological sequestration, an accurate estimation of migration patterns of green-house gases is essential. Due to an ever increasing computer power, computational mathematics has become an important tool for predicting dynamics of porous media fluids. Numerical and mathematical modelling of processes in a domain requires grid generation in the domain, discretization of the continuum equations on the generated grid, solution of the formed linear or nonlinear system of discrete equations and finally visualization of the results. The thesis is composed of three chapters and eight papers. Chapter 2 presents two techniques for generating structured quadrilateral and hexahedral meshes. These techniques are called algebraic and elliptic methods. Algebraic techniques are by far the most simple and computationally efficient method for grid generation. Transfinite interpolation operators are a kind of algebraic grid generation technique. In this chapter, many transfinite interpolation operators for grid generation are derived from 1D projection operators. In this chapter, some important properties of hexahedral elements are also mentioned. These properties are useful in discretization of partial differential equations on hexahedral mesh, improving quality of the hexahedral mesh, mesh generation and visualization. Chapter 3 is about CO{sub 2} flow in porous media. In this chapter, we present the mathematical models and their discretization for capturing major physical processes associated with CO{sub 2} deposition in geological formations. Some important simulations of practical applications in 2D and 3D are presented
Energy Technology Data Exchange (ETDEWEB)
Khattri, Sanjay Kumar
2006-07-01
The thesis is concerned with numerically simulating multicomponent, multiphase, reactive transport in heterogeneous porous medium. Such processes are ubiquitous, for example, deposition of green house gases, flow of hydrocarbons and groundwater remediation. Understanding such processes is important from social and economic point of view. For the success of geological sequestration, an accurate estimation of migration patterns of green-house gases is essential. Due to an ever increasing computer power, computational mathematics has become an important tool for predicting dynamics of porous media fluids. Numerical and mathematical modelling of processes in a domain requires grid generation in the domain, discretization of the continuum equations on the generated grid, solution of the formed linear or nonlinear system of discrete equations and finally visualization of the results. The thesis is composed of three chapters and eight papers. Chapter 2 presents two techniques for generating structured quadrilateral and hexahedral meshes. These techniques are called algebraic and elliptic methods. Algebraic techniques are by far the most simple and computationally efficient method for grid generation. Transfinite interpolation operators are a kind of algebraic grid generation technique. In this chapter, many transfinite interpolation operators for grid generation are derived from 1D projection operators. In this chapter, some important properties of hexahedral elements are also mentioned. These properties are useful in discretization of partial differential equations on hexahedral mesh, improving quality of the hexahedral mesh, mesh generation and visualization. Chapter 3 is about CO{sub 2} flow in porous media. In this chapter, we present the mathematical models and their discretization for capturing major physical processes associated with CO{sub 2} deposition in geological formations. Some important simulations of practical applications in 2D and 3D are presented
Mathematical Models of Tuberculosis Reactivation and Relapse
Directory of Open Access Journals (Sweden)
Robert Steven Wallis
2016-05-01
Full Text Available The natural history of human infection with Mycobacterium tuberculosis (Mtb is highly variable, as is the response to treatment of active tuberculosis. There is presently no direct means to identify individuals in whom Mtb infection has been eradicated, whether by a bactericidal immune response or sterilizing antimicrobial chemotherapy. Mathematical models can assist in such circumstances by measuring or predicting events that cannot be directly observed. The 3 models discussed in this review illustrate instances in which mathematical models were used to identify individuals with innate resistance to Mtb infection, determine the etiology of tuberculosis in patients treated with tumor necrosis factor antagonists, and predict the risk of relapse in persons undergoing tuberculosis treatment. These examples illustrate the power of various types of mathematic models to increase knowledge and thereby inform interventions in the present global tuberculosis epidemic.
Directory of Open Access Journals (Sweden)
Meirelles Jr. Roberto Ferreira
2003-01-01
Full Text Available PURPOSE: Reactive oxygen species (ROS inactivation was studied to determine alterations in the pancreatic capillary blood flow (PCBF during caerulein-induced pancreatitis in rats. METHODS: A laser-Doppler flowmeter to measure PCBF and N-t-Butyl-Phenylnitrone (PBN compound to inactivate ROS were used. Forty rats were divided in groups: 1 control; 2 caerulein; 3 PBN; 4 caerulein+PBN. Serum biochemistry and histopathological analyses were performed. RESULTS: PCBF measured a mean of 109.08 ± 14.54%, 68.24 ± 10.47%, 102.18 ± 10.23% and 87.73 ± 18.72% in groups 1, 2, 3 and 4, respectively. PCBF in groups 2 and 4 decreased 31.75 ± 16.79% and 12.26 ± 15.24%, respectively. Serum amylase was 1323.70 ± 239.10 U/l, 2184.60 ± 700.46 U/l, 1379.80 ± 265.72 U/l and 1622.10 ± 314.60 U/l in groups 1, 2, 3 and 4, respectively. There was a significant difference in the PCBF and serum amylase when compared groups 2 and 4. Cytoplasmatic vacuolation was present in groups 2 and 4. Otherwise, no qualitative changes were seen. CONCLUSION: ROS inactivation improves PCBF and minimizes the serum amylase increase during caerulein-induced pancreatitis. ROS effect may be one of the leading causative events in this model of acute pancreatitis.
Rapid detection of defects in fuel-cell electrodes using infrared reactive-flow-through technique
Das, Prodip K.; Weber, Adam Z.; Bender, Guido; Manak, Austin; Bittinat, Daniel; Herring, Andrew M.; Ulsh, Michael
2014-09-01
As fuel cells become more prominent, new manufacturing and production methods will need to be developed to deal efficiently and effectively with increased demand. One necessary component of this industrial growth is the accurate measurement of the variability in the manufacturing process. In this study, we present a diagnostic system that combines infrared thermography with a reactive-flow-through technique to detect catalyst-loading defects in fuel-cell gas-diffusion electrodes accurately with high spatial and temporal resolutions. Experimental results are compared with model predictions of thermal response with good agreement. Data analysis, operating-condition impacts, and detection limits are explored using both experiments and simulation. Overall, the results demonstrate the potential of this technique to measure defects on the millimeter length scale with temporal resolutions appropriate for use on a web-line. Thus we present the first development stage of a next-generation non-destructive diagnostic tool, which may be amenable to eventual use on roll-to-roll manufacturing lines.
A mobile-mobile transport model for simulating reactive transport in connected heterogeneous fields
Lu, Chunhui; Wang, Zhiyuan; Zhao, Yue; Rathore, Saubhagya Singh; Huo, Jinge; Tang, Yuening; Liu, Ming; Gong, Rulan; Cirpka, Olaf A.; Luo, Jian
2018-05-01
Mobile-immobile transport models can be effective in reproducing heavily tailed breakthrough curves of concentration. However, such models may not adequately describe transport along multiple flow paths with intermediate velocity contrasts in connected fields. We propose using the mobile-mobile model for simulating subsurface flow and associated mixing-controlled reactive transport in connected fields. This model includes two local concentrations, one in the fast- and the other in the slow-flow domain, which predict both the concentration mean and variance. The normalized total concentration variance within the flux is found to be a non-monotonic function of the discharge ratio with a maximum concentration variance at intermediate values of the discharge ratio. We test the mobile-mobile model for mixing-controlled reactive transport with an instantaneous, irreversible bimolecular reaction in structured and connected random heterogeneous domains, and compare the performance of the mobile-mobile to the mobile-immobile model. The results indicate that the mobile-mobile model generally predicts the concentration breakthrough curves (BTCs) of the reactive compound better. Particularly, for cases of an elliptical inclusion with intermediate hydraulic-conductivity contrasts, where the travel-time distribution shows bimodal behavior, the prediction of both the BTCs and maximum product concentration is significantly improved. Our results exemplify that the conceptual model of two mobile domains with diffusive mass transfer in between is in general good for predicting mixing-controlled reactive transport, and particularly so in cases where the transfer in the low-conductivity zones is by slow advection rather than diffusion.
High Pressure Combustion Experimental Facility(HPCEF) for Studies on Combustion in Reactive Flows
2017-12-13
SECURITY CLASSIFICATION OF: 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 13. SUPPLEMENTARY NOTES 12. DISTRIBUTION AVAILIBILITY STATEMENT 6...Report: High Pressure Combustion Experimental Facility (HPCEF) for Studies on Combustion in Reactive Flows The views, opinions and/or findings... contained in this report are those of the author(s) and should not contrued as an official Department of the Army position, policy or decision, unless so
Computational modeling of concrete flow
DEFF Research Database (Denmark)
Roussel, Nicolas; Geiker, Mette Rica; Dufour, Frederic
2007-01-01
particle flow, and numerical techniques allowing the modeling of particles suspended in a fluid. The general concept behind each family of techniques is described. Pros and cons for each technique are given along with examples and references to applications to fresh cementitious materials....
Modeling groundwater flow on MPPs
International Nuclear Information System (INIS)
Ashby, S.F.; Falgout, R.D.; Smith, S.G.; Tompson, A.F.B.
1993-10-01
The numerical simulation of groundwater flow in three-dimensional heterogeneous porous media is examined. To enable detailed modeling of large contaminated sites, preconditioned iterative methods and massively parallel computing power are combined in a simulator called PARFLOW. After describing this portable and modular code, some numerical results are given, including one that demonstrates the code's scalability
Comparison of reactivity in a flow reactor and a single cylinder engine
Energy Technology Data Exchange (ETDEWEB)
Natelson, Robert H.; Johnson, Rodney O.; Kurman, Matthew S.; Cernansky, Nicholas P.; Miller, David L. [Department of Mechanical Engineering and Mechanics, Drexel University, 3141 Chestnut Street, Philadelphia, PA 19104-2875 (United States)
2010-10-15
The relative reactivity of 2:1:1 and 1:1:1 mixtures of n-decane:n-butylcyclohexane:n-butylbenzene and an average sample of JP-8 were evaluated in a single cylinder engine and compared to results obtained in a pressurized flow reactor. At compression ratios of 14:1, 15:1, and 16:1, inlet temperature of 500 K, inlet pressure of 0.1 MPa, equivalence ratio of 0.23, and engine speed of 800 RPM, the autoignition delay times were, from shortest to longest, the 2:1:1, followed by the 1:1:1, and then the JP-8. This order corresponded with recent results in a pressurized flow reactor, where the preignition oxidation chemistry was monitored at temperatures of 600-800 K, 0.8 MPa pressure, and an equivalence ratio of 0.30, and where the preignition reactivity from highest to lowest was the 2:1:1, followed by the 1:1:1, and the JP-8. This shows that the relative reactivity at low temperatures in the flow reactor tracks the autoignition tendencies in the engine for these particular fuels. (author) the computed experimental error. (author)
Quantitative Models and Analysis for Reactive Systems
DEFF Research Database (Denmark)
Thrane, Claus
phones and websites. Acknowledging that now more than ever, systems come in contact with the physical world, we need to revise the way we construct models and verification algorithms, to take into account the behavior of systems in the presence of approximate, or quantitative information, provided...
KIVA3, Transient Multicomponent 2-D and 3-D Reactive Flows with Fuel Sprays
International Nuclear Information System (INIS)
Amsden, A.A.
2001-01-01
1 - Description of program or function: KIVA3VRELEASE2 is a computer program for the numerical calculation of transient, two and three-dimensional, chemically reactive flows with sprays. It is a newer version of the earlier KIVA3 (1993) that has now been extended to model vertical of canted valves in the cylinder head of a gasoline or diesel engine. KIVA3, in turn, was based on the earlier KIVA2 (1989) and uses the same numerical solution procedure and solves the same sort of equations. KIVA3VRELEASE2 uses a block-structured mesh with connectivity defined through indirect addressing. The departure from a single rectangular structure in logical space allows complex geometries to be modeled with significantly greater efficiency because large regions of deactivated cells are no longer necessary. Cell-face boundary conditions permit greater flexibility and simplification in the application of boundary conditions. KIVA3VRELEASE2 contains a number of significant changes. New features enhance the robustness, efficiency, and usefulness of the overall program for engine modeling. Automatic restart of the cycle with a reduced time-step in case of iteration limit or temperature overflow will reduce code crashes. A new option provides automatic deactivation of a port region when it is closed from the cylinder and reactivation when it communicates with the cylinder. Corrections in the code improve accuracy; extensions to the particle-based liquid wall film model makes the model more complete and a spli injection option has been added. A new subroutine monitors the liquid and gaseous fuel phases and energy balance data and emissions are monitored and printed. New features have been added to the grid generator K3PREP and the graphics post processor, K3POST. 2 - Method of solution: KIVA3VRELEASE2 solves the unsteady equations of motion of a turbulent, chemically reactive mixture of ideal gases, coupled to the equations for a single-component vaporizing fuel spray. The gas
Numerical modeling of foam flows
International Nuclear Information System (INIS)
Cheddadi, Ibrahim
2010-01-01
Liquid foam flows are involved in numerous applications, e.g. food and cosmetics industries, oil extraction, nuclear decontamination. Moreover, their study leads to fundamental knowledge: as it is easier to manipulate and analyse, foam is used as a model material to understand the flow of emulsions, polymers, pastes, or cell aggregates, all of which display both solid and liquid behaviour. Systematic experiments performed by Francois Graner et al. provide precise data that emphasize the non Newtonian properties of the foam. Meanwhile, Pierre Saramito proposed a visco-elasto-plastic continuous tensorial model, akin to predict the behaviour of the foam. The goal of this thesis is to understand this complex behaviour, using these two elements. We have built and validated a resolution algorithm based on a bidimensional finite elements methods. The numerical solutions are in excellent agreement with the spatial distribution of all measured quantities, and confirm the predictive capabilities of the model. The dominant parameters have been identified and we evidenced the fact that the viscous, elastic, and plastic contributions to the flow have to be treated simultaneously in a tensorial formalism. We provide a substantial contribution to the understanding of foams and open the path to realistic simulations of complex VEP flows for industrial applications. (author)
Turbulence modelling for incompressible flows
International Nuclear Information System (INIS)
Rodi, W.
1985-12-01
EUROMECH colloquium 180 was held at Karlsruhe from 4-6 July, 1984, with the aim of bringing together specialists working in the area of turbulence modelling and of reviewing the state-of-the-art in this field. 44 scientists from 12 countries participated and 28 papers were presented. The meeting started with a review of the performance of two-equation turbulence models employing transport equations for both the velocity and the length scale of turbulence. These models are now generally well established, but it was found that their application to certain flow situations remains problematic. The modelling assumptions involved in Reynolds stress-equation models were reviewed next, and new assumptions were proposed. It was generally agreed that, as computing power increases, these more complex models will become more popular also for practical applications. The increase in computing power also allows more and more to resolve the viscous sublayer with low Reynolds numbers models, and the capabilities and problems of these models were discussed. In this connection, special aspects of boundary layer calculations were also discussed, namely those associated with 3D boundary layers, converging and diverging flow and slightly detached boundary layers. The complex physical phenomena prevalent in situations under the influence of buoyancy and rotation were reviewed, and several papers were presented on models for simulating these effects. (orig./HP) [de
Directory of Open Access Journals (Sweden)
Maike Groeschke
2017-06-01
Full Text Available In the Indian metropolis of Delhi, the Yamuna River is highly influenced by sewage water, which has led to elevated ammonium (NH4+ concentrations up to 20 mg/L in the river water during 2012–2013. Large drinking water production wells located in the alluvial aquifer draw high shares of bank filtrate. Due to the infiltrating river water, the raw water NH4+ concentrations in some wells exceed the threshold value of 0.5 mg/L ammonia-N of the Indian drinking water specifications, making the water unfit for human consumption without prior treatment. However, to meet the city’s growing water demand, it might be advantageous to consider the long-term use of the well field. This requires the development of an adapted post-treatment unit in concert with an adjusted well field management. To better understand the groundwater dynamics and contamination and decontamination times at the well field, a theoretical modeling study has been conducted. The results of 2D numerical modeling reveal that the groundwater flux beneath the river is negligible because of the aquifer and river geometry, indicating that infiltrating river water is not diluted by the ambient groundwater. Increasing the water abstraction in the wells closest to the river would result in a larger share of bank filtrate and a decreasing groundwater table decline. Simplified 1D reactive transport models set up for a distance of 500 m (transect from the riverbank to the first production well showed that the NH4+ contamination will prevail for the coming decades. Different lithological units of the aquifer (sand and kankar—a sediment containing calcareous nodules have a strong influence on the respective contamination and decontamination periods, as the retardation of NH4+ is higher in the kankar than in the sand layer. Although this simplified approach does not allow for a quantification of processes, it can support decision-making about a possible future use of the well field and point to
Sex Differences in Adolescent Depression: Stress Exposure and Reactivity Models
Hankin, Benjamin L.; Mermelstein, Robin; Roesch, Linda
2007-01-01
Stress exposure and reactivity models were examined as explanations for why girls exhibit greater levels of depressive symptoms than boys. In a multiwave, longitudinal design, adolescents' depressive symptoms, alcohol usage, and occurrence of stressors were assessed at baseline, 6, and 12 months later (N=538; 54.5% female; ages 13-18, average…
Open-Source Development of the Petascale Reactive Flow and Transport Code PFLOTRAN
Hammond, G. E.; Andre, B.; Bisht, G.; Johnson, T.; Karra, S.; Lichtner, P. C.; Mills, R. T.
2013-12-01
Open-source software development has become increasingly popular in recent years. Open-source encourages collaborative and transparent software development and promotes unlimited free redistribution of source code to the public. Open-source development is good for science as it reveals implementation details that are critical to scientific reproducibility, but generally excluded from journal publications. In addition, research funds that would have been spent on licensing fees can be redirected to code development that benefits more scientists. In 2006, the developers of PFLOTRAN open-sourced their code under the U.S. Department of Energy SciDAC-II program. Since that time, the code has gained popularity among code developers and users from around the world seeking to employ PFLOTRAN to simulate thermal, hydraulic, mechanical and biogeochemical processes in the Earth's surface/subsurface environment. PFLOTRAN is a massively-parallel subsurface reactive multiphase flow and transport simulator designed from the ground up to run efficiently on computing platforms ranging from the laptop to leadership-class supercomputers, all from a single code base. The code employs domain decomposition for parallelism and is founded upon the well-established and open-source parallel PETSc and HDF5 frameworks. PFLOTRAN leverages modern Fortran (i.e. Fortran 2003-2008) in its extensible object-oriented design. The use of this progressive, yet domain-friendly programming language has greatly facilitated collaboration in the code's software development. Over the past year, PFLOTRAN's top-level data structures were refactored as Fortran classes (i.e. extendible derived types) to improve the flexibility of the code, ease the addition of new process models, and enable coupling to external simulators. For instance, PFLOTRAN has been coupled to the parallel electrical resistivity tomography code E4D to enable hydrogeophysical inversion while the same code base can be used as a third
Modeling and processing of laser Doppler reactive hyperaemia signals
Humeau, Anne; Saumet, Jean-Louis; L'Huiller, Jean-Pierre
2003-07-01
Laser Doppler flowmetry is a non-invasive method used in the medical domain to monitor the microvascular blood cell perfusion through tissue. Most commercial laser Doppler flowmeters use an algorithm calculating the first moment of the power spectral density to give the perfusion value. Many clinical applications measure the perfusion after a vascular provocation such as a vascular occlusion. The response obtained is then called reactive hyperaemia. Target pathologies include diabetes, hypertension and peripheral arterial occlusive diseases. In order to have a deeper knowledge on reactive hyperaemia acquired by the laser Doppler technique, the present work first proposes two models (one analytical and one numerical) of the observed phenomenon. Then, a study on the multiple scattering between photons and red blood cells occurring during reactive hyperaemia is carried out. Finally, a signal processing that improves the diagnosis of peripheral arterial occlusive diseases is presented.
On-chip determination of C-reactive protein using magnetic particles in continuous flow.
Phurimsak, Chayakom; Tarn, Mark D; Peyman, Sally A; Greenman, John; Pamme, Nicole
2014-11-04
We demonstrate the application of a multilaminar flow platform, in which functionalized magnetic particles are deflected through alternating laminar flow streams of reagents and washing solutions via an external magnet, for the rapid detection of the inflammatory biomarker, C-reactive protein (CRP). The two-step sandwich immunoassay was accomplished in less than 60 s, a vast improvement on the 80-300 min time frame required for enzyme-linked immunosorbent assays (ELISA) and the 50 min necessary for off-chip magnetic particle-based assays. The combination of continuous flow and a stationary magnet enables a degree of autonomy in the system, while a detection limit of 0.87 μg mL(-1) makes it suitable for the determination of CRP concentrations in clinical diagnostics. Its applicability was further proven by assaying real human serum samples and comparing those results to values obtained using standard ELISA tests.
Wei, Xiaohui; Li, Weishan; Tian, Hailong; Li, Hongliang; Xu, Haixiao; Xu, Tianfu
2015-07-01
The numerical simulation of multiphase flow and reactive transport in the porous media on complex subsurface problem is a computationally intensive application. To meet the increasingly computational requirements, this paper presents a parallel computing method and architecture. Derived from TOUGHREACT that is a well-established code for simulating subsurface multi-phase flow and reactive transport problems, we developed a high performance computing THC-MP based on massive parallel computer, which extends greatly on the computational capability for the original code. The domain decomposition method was applied to the coupled numerical computing procedure in the THC-MP. We designed the distributed data structure, implemented the data initialization and exchange between the computing nodes and the core solving module using the hybrid parallel iterative and direct solver. Numerical accuracy of the THC-MP was verified through a CO2 injection-induced reactive transport problem by comparing the results obtained from the parallel computing and sequential computing (original code). Execution efficiency and code scalability were examined through field scale carbon sequestration applications on the multicore cluster. The results demonstrate successfully the enhanced performance using the THC-MP on parallel computing facilities.
Sels, J.W.E.M.; Rutten, B.; Holten, van T.C.; Hillaert, M.A.K.; Waltenberger, J.; Pijls, N.H.J.; Pasterkamp, G.; Groot, de P.G.; Roest, M.
2013-01-01
Background: The presence of stenoses that significantly impair blood flow and cause myocardial ischemia negatively affects prognosis of patients with stable coronary artery disease. Altered platelet reactivity has been associated with impaired prognosis of stable coronary artery disease. Platelets
Structural and reactivity models for copper oxygenases: cooperative effects and novel reactivities.
Serrano-Plana, Joan; Garcia-Bosch, Isaac; Company, Anna; Costas, Miquel
2015-08-18
Dioxygen is widely used in nature as oxidant. Nature itself has served as inspiration to use O2 in chemical synthesis. However, the use of dioxygen as an oxidant is not straightforward. Its triplet ground-state electronic structure makes it unreactive toward most organic substrates. In natural systems, metalloenzymes activate O2 by reducing it to more reactive peroxide (O2(2-)) or superoxide (O2(-)) forms. Over the years, the development of model systems containing transition metals has become a convenient tool for unravelling O2-activation mechanistic aspects and reproducing the oxidative activity of enzymes. Several copper-based systems have been developed within this area. Tyrosinase is a copper-based O2-activating enzyme, whose structure and reactivity have been widely studied, and that serves as a paradigm for O2 activation at a dimetal site. It contains a dicopper center in its active site, and it catalyzes the regioselective ortho-hydroxylation of phenols to catechols and further oxidation to quinones. This represents an important step in melanin biosynthesis and it is mediated by a dicopper(II) side-on peroxo intermediate species. In the present accounts, our research in the field of copper models for oxygen activation is collected. We have developed m-xylyl linked dicopper systems that mimick structural and reactivity aspects of tyrosinase. Synergistic cooperation of the two copper(I) centers results in O2 binding and formation of bis(μ-oxo)dicopper(III) cores. These in turn bind and ortho-hydroxylate phenolates via an electrophilic attack of the oxo ligand over the arene. Interestingly the bis(μ-oxo)dicopper(III) cores can also engage in ortho-hydroxylation-defluorination of deprotonated 2-fluorophenols, substrates that are well-known enzyme inhibitors. Analysis of Cu2O2 species with different binding modes show that only the bis(μ-oxo)dicopper(III) cores can mediate the reaction. Finally, the use of unsymmetric systems for oxygen activation is a field
Stochastic models for turbulent reacting flows
Energy Technology Data Exchange (ETDEWEB)
Kerstein, A. [Sandia National Laboratories, Livermore, CA (United States)
1993-12-01
The goal of this program is to develop and apply stochastic models of various processes occurring within turbulent reacting flows in order to identify the fundamental mechanisms governing these flows, to support experimental studies of these flows, and to further the development of comprehensive turbulent reacting flow models.
Online traffic flow model applying dynamic flow-density relation
International Nuclear Information System (INIS)
Kim, Y.
2002-01-01
This dissertation describes a new approach of the online traffic flow modelling based on the hydrodynamic traffic flow model and an online process to adapt the flow-density relation dynamically. The new modelling approach was tested based on the real traffic situations in various homogeneous motorway sections and a motorway section with ramps and gave encouraging simulation results. This work is composed of two parts: first the analysis of traffic flow characteristics and second the development of a new online traffic flow model applying these characteristics. For homogeneous motorway sections traffic flow is classified into six different traffic states with different characteristics. Delimitation criteria were developed to separate these states. The hysteresis phenomena were analysed during the transitions between these traffic states. The traffic states and the transitions are represented on a states diagram with the flow axis and the density axis. For motorway sections with ramps the complicated traffic flow is simplified and classified into three traffic states depending on the propagation of congestion. The traffic states are represented on a phase diagram with the upstream demand axis and the interaction strength axis which was defined in this research. The states diagram and the phase diagram provide a basis for the development of the dynamic flow-density relation. The first-order hydrodynamic traffic flow model was programmed according to the cell-transmission scheme extended by the modification of flow dependent sending/receiving functions, the classification of cells and the determination strategy for the flow-density relation in the cells. The unreasonable results of macroscopic traffic flow models, which may occur in the first and last cells in certain conditions are alleviated by applying buffer cells between the traffic data and the model. The sending/receiving functions of the cells are determined dynamically based on the classification of the
International Nuclear Information System (INIS)
Grimm, K.N.; Meneghetti, D.
1989-01-01
Reactivity transfer functions are important in determining the reactivity history during a power transient. Overall nodal transfer functions have been calculated for different subassembly types in the Experimental Breeder Reactor II (EBR-II). Steady-state calculations for temperature changes and, hence, reactivities for power changes have been separated into power and power-to-flow-dependent terms. Axial nodal transfer functions separated into power and power-to-flow-dependent components are reported in this paper for a typical EBR-II fuel pin. This provides an improved understanding of the time dependence of these components in transient situations
DEFF Research Database (Denmark)
Møller, Kirsten; Strauss, Gitte Irene; Thomsen, Gerda
2002-01-01
BACKGROUND: The optimal arterial carbon dioxide tension (P(a)CO(2)) in patients with acute bacterial meningitis (ABM) is unknown and controversial. The objective of this study was to measure global cerebral blood flow (CBF), cerebrovascular CO(2) reactivity (CO(2)R), and cerebral metabolic rates...... and hyperventilation with single-photon emission computed tomography (SPECT) (14 patients) and/or the Kety-Schmidt technique (KS) (11 patients and all controls). In KS studies, CMR was measured by multiplying the arterial to jugular venous concentration difference (a-v D) by CBF. RESULTS: CBF did not differ...
Global scale groundwater flow model
Sutanudjaja, Edwin; de Graaf, Inge; van Beek, Ludovicus; Bierkens, Marc
2013-04-01
As the world's largest accessible source of freshwater, groundwater plays vital role in satisfying the basic needs of human society. It serves as a primary source of drinking water and supplies water for agricultural and industrial activities. During times of drought, groundwater sustains water flows in streams, rivers, lakes and wetlands, and thus supports ecosystem habitat and biodiversity, while its large natural storage provides a buffer against water shortages. Yet, the current generation of global scale hydrological models does not include a groundwater flow component that is a crucial part of the hydrological cycle and allows the simulation of groundwater head dynamics. In this study we present a steady-state MODFLOW (McDonald and Harbaugh, 1988) groundwater model on the global scale at 5 arc-minutes resolution. Aquifer schematization and properties of this groundwater model were developed from available global lithological model (e.g. Dürr et al., 2005; Gleeson et al., 2010; Hartmann and Moorsdorff, in press). We force the groundwtaer model with the output from the large-scale hydrological model PCR-GLOBWB (van Beek et al., 2011), specifically the long term net groundwater recharge and average surface water levels derived from routed channel discharge. We validated calculated groundwater heads and depths with available head observations, from different regions, including the North and South America and Western Europe. Our results show that it is feasible to build a relatively simple global scale groundwater model using existing information, and estimate water table depths within acceptable accuracy in many parts of the world.
Surrogate model approach for improving the performance of reactive transport simulations
Jatnieks, Janis; De Lucia, Marco; Sips, Mike; Dransch, Doris
2016-04-01
Reactive transport models can serve a large number of important geoscientific applications involving underground resources in industry and scientific research. It is common for simulation of reactive transport to consist of at least two coupled simulation models. First is a hydrodynamics simulator that is responsible for simulating the flow of groundwaters and transport of solutes. Hydrodynamics simulators are well established technology and can be very efficient. When hydrodynamics simulations are performed without coupled geochemistry, their spatial geometries can span millions of elements even when running on desktop workstations. Second is a geochemical simulation model that is coupled to the hydrodynamics simulator. Geochemical simulation models are much more computationally costly. This is a problem that makes reactive transport simulations spanning millions of spatial elements very difficult to achieve. To address this problem we propose to replace the coupled geochemical simulation model with a surrogate model. A surrogate is a statistical model created to include only the necessary subset of simulator complexity for a particular scenario. To demonstrate the viability of such an approach we tested it on a popular reactive transport benchmark problem that involves 1D Calcite transport. This is a published benchmark problem (Kolditz, 2012) for simulation models and for this reason we use it to test the surrogate model approach. To do this we tried a number of statistical models available through the caret and DiceEval packages for R, to be used as surrogate models. These were trained on randomly sampled subset of the input-output data from the geochemical simulation model used in the original reactive transport simulation. For validation we use the surrogate model to predict the simulator output using the part of sampled input data that was not used for training the statistical model. For this scenario we find that the multivariate adaptive regression splines
Ogino, Takamichi; Ueda, Takayuki; Ogami, Koichiro; Koike, Takashi; Sakurai, Kaoru
2017-01-01
We examined how chewing rate and the extent of reactive hyperemia affect the blood flow in denture-supporting mucosa during chewing. The left palatal mucosa was loaded under conditions of simulated chewing or simulated clenching for 30s, and the blood flow during loading was recorded. We compared the relative blood flow during loading under conditions that recreated different chewing rates by combining duration of chewing cycle (DCC) and occlusal time (OT): fast chewing group, typical chewing group, slow chewing group and clenching group. The relationship between relative blood flow during simulated chewing and the extent of reactive hyperemia was also analyzed. When comparing the different chewing rate, the relative blood flow was highest in fast chewing rate, followed by typical chewing rate and slow chewing rate. Accordingly, we suggest that fast chewing increases the blood flow more than typical chewing or slow chewing. There was a significant correlation between the amount of blood flow during simulated chewing and the extent of reactive hyperemia. Within the limitations of this study, we concluded that slow chewing induced less blood flow than typical or fast chewing in denture-supporting mucosa and that people with less reactive hyperemia had less blood flow in denture-supporting mucosa during chewing. Copyright © 2016 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.
Simulation of reactive nanolaminates using reduced models: II. Normal propagation
Energy Technology Data Exchange (ETDEWEB)
Salloum, Maher; Knio, Omar M. [Department of Mechanical Engineering, The Johns Hopkins University, Baltimore, MD 21218-2686 (United States)
2010-03-15
Transient normal flame propagation in reactive Ni/Al multilayers is analyzed computationally. Two approaches are implemented, based on generalization of earlier methodology developed for axial propagation, and on extension of the model reduction formalism introduced in Part I. In both cases, the formulation accommodates non-uniform layering as well as the presence of inert layers. The equations of motion for the reactive system are integrated using a specially-tailored integration scheme, that combines extended-stability, Runge-Kutta-Chebychev (RKC) integration of diffusion terms with exact treatment of the chemical source term. The detailed and reduced models are first applied to the analysis of self-propagating fronts in uniformly-layered materials. Results indicate that both the front velocities and the ignition threshold are comparable for normal and axial propagation. Attention is then focused on analyzing the effect of a gap composed of inert material on reaction propagation. In particular, the impacts of gap width and thermal conductivity are briefly addressed. Finally, an example is considered illustrating reaction propagation in reactive composites combining regions corresponding to two bilayer widths. This setup is used to analyze the effect of the layering frequency on the velocity of the corresponding reaction fronts. In all cases considered, good agreement is observed between the predictions of the detailed model and the reduced model, which provides further support for adoption of the latter. (author)
Phase behavior and reactive transport of partial melt in heterogeneous mantle model
Jordan, J.; Hesse, M. A.
2013-12-01
The reactive transport of partial melt is the key process that leads to the chemical and physical differentiation of terrestrial planets and smaller celestial bodies. The essential role of the lithological heterogeneities during partial melting of the mantle is increasingly recognized. How far can enriched melts propagate while interacting with the ambient mantle? Can the melt flow emanating from a fertile heterogeneity be localized through a reactive infiltration feedback in a model without exogenous factors or contrived initial conditions? A full understanding of the role of heterogeneities requires reactive melt transport models that account for the phase behavior of major elements. Previous work on reactive transport in the mantle focuses on trace element partitioning; we present the first nonlinear chromatographic analysis of reactive melt transport in systems with binary solid solution. Our analysis shows that reactive melt transport in systems with binary solid solution leads to the formation of two separate reaction fronts: a slow melting/freezing front along which enthalpy change is dominant and a fast dissolution/precipitation front along which compositional changes are dominated by an ion-exchange process over enthalpy change. An intermediate state forms between these two fronts with a bulk-rock composition and enthalpy that are not necessarily bounded by the bulk-rock composition and enthalpy of either the enriched heterogeneity or the depleted ambient mantle. The formation of this intermediate state makes it difficult to anticipate the porosity changes and hence the stability of reaction fronts. Therefore, we develop a graphical representation for the solution that allows identification of the intermediate state by inspection, for all possible bulk-rock compositions and enthalpies of the heterogeneity and the ambient mantle. We apply the analysis to the partial melting of an enriched heterogeneity. This leads to the formation of moving precipitation
International Nuclear Information System (INIS)
Moussiere, S.
2006-12-01
Supercritical water oxidation is an innovative process to treat organic liquid waste which uses supercritical water properties to mix efficiency the oxidant and the organic compounds. The reactor is a stirred double shell reactor. In the step of adaptation to nuclear constraints, the computational fluid dynamic modeling is a good tool to know required temperature field in the reactor for safety analysis. Firstly, the CFD modeling of tubular reactor confirms the hypothesis of an incompressible fluid and the use of k-w turbulence model to represent the hydrodynamic. Moreover, the EDC model is as efficiency as the kinetic to compute the reaction rate in this reactor. Secondly, the study of turbulent flow in the double shell reactor confirms the use of 2D axisymmetric geometry instead of 3D geometry to compute heat transfer. Moreover, this study reports that water-air mixing is not in single phase. The reactive turbulent flow is well represented by EDC model after adaptation of initial conditions. The reaction rate in supercritical water oxidation reactor is mainly controlled by the mixing. (author)
Directory of Open Access Journals (Sweden)
I. J. Uwanta
2014-01-01
Full Text Available This study investigates the unsteady natural convection and mass transfer flow of viscous reactive, heat generating/absorbing fluid in a vertical channel formed by two infinite parallel porous plates having temperature dependent thermal conductivity. The motion of the fluid is induced due to natural convection caused by the reactive property as well as the heat generating/absorbing nature of the fluid. The solutions for unsteady state temperature, concentration, and velocity fields are obtained using semi-implicit finite difference schemes. Perturbation techniques are used to get steady state expressions of velocity, concentration, temperature, skin friction, Nusselt number, and Sherwood number. The effects of various flow parameters such as suction/injection (γ, heat source/sinks (S, Soret number (Sr, variable thermal conductivity δ, Frank-Kamenetskii parameter λ, Prandtl number (Pr, and nondimensional time t on the dynamics are analyzed. The skin friction, heat transfer coefficients, and Sherwood number are graphically presented for a range of values of the said parameters.
Reactive Transport Modeling of Microbe-mediated Fe (II) Oxidation for Enhanced Oil Recovery
Surasani, V.; Li, L.
2011-12-01
Microbially Enhanced Oil Recovery (MEOR) aims to improve the recovery of entrapped heavy oil in depleted reservoirs using microbe-based technology. Reservoir ecosystems often contain diverse microbial communities those can interact with subsurface fluids and minerals through a network of nutrients and energy fluxes. Microbe-mediated reactions products include gases, biosurfactants, biopolymers those can alter the properties of oil and interfacial interactions between oil, brine, and rocks. In addition, the produced biomass and mineral precipitates can change the reservoir permeability profile and increase sweeping efficiency. Under subsurface conditions, the injection of nitrate and Fe (II) as the electron acceptor and donor allows bacteria to grow. The reaction products include minerals such as Fe(OH)3 and nitrogen containing gases. These reaction products can have large impact on oil and reservoir properties and can enhance the recovery of trapped oil. This work aims to understand the Fe(II) oxidation by nitrate under conditions relevant to MEOR. Reactive transport modeling is used to simulate the fluid flow, transport, and reactions involved in this process. Here we developed a complex reactive network for microbial mediated nitrate-dependent Fe (II) oxidation that involves both thermodynamic controlled aqueous reactions and kinetic controlled Fe (II) mineral reaction. Reactive transport modeling is used to understand and quantify the coupling between flow, transport, and reaction processes. Our results identify key parameter controls those are important for the alteration of permeability profile under field conditions.
Numerical Simulation of Reactive Flows in Overexpanded Supersonic Nozzle with Film Cooling
Directory of Open Access Journals (Sweden)
Mohamed Sellam
2015-01-01
Full Text Available Reignition phenomena occurring in a supersonic nozzle flow may present a crucial safety issue for rocket propulsion systems. These phenomena concern mainly rocket engines which use H2 gas (GH2 in the film cooling device, particularly when the nozzle operates under over expanded flow conditions at sea level or at low altitudes. Consequently, the induced wall thermal loads can lead to the nozzle geometry alteration, which in turn, leads to the appearance of strong side loads that may be detrimental to the rocket engine structural integrity. It is therefore necessary to understand both aerodynamic and chemical mechanisms that are at the origin of these processes. This paper is a numerical contribution which reports results from CFD analysis carried out for supersonic reactive flows in a planar nozzle cooled with GH2 film. Like the experimental observations, CFD simulations showed their ability to highlight these phenomena for the same nozzle flow conditions. Induced thermal load are also analyzed in terms of cooling efficiency and the results already give an idea on their magnitude. It was also shown that slightly increasing the film injection pressure can avoid the reignition phenomena by moving the separation shock towards the nozzle exit section.
Modeling food matrix effects on chemical reactivity: Challenges and perspectives.
Capuano, Edoardo; Oliviero, Teresa; van Boekel, Martinus A J S
2017-06-29
The same chemical reaction may be different in terms of its position of the equilibrium (i.e., thermodynamics) and its kinetics when studied in different foods. The diversity in the chemical composition of food and in its structural organization at macro-, meso-, and microscopic levels, that is, the food matrix, is responsible for this difference. In this viewpoint paper, the multiple, and interconnected ways the food matrix can affect chemical reactivity are summarized. Moreover, mechanistic and empirical approaches to explain and predict the effect of food matrix on chemical reactivity are described. Mechanistic models aim to quantify the effect of food matrix based on a detailed understanding of the chemical and physical phenomena occurring in food. Their applicability is limited at the moment to very simple food systems. Empirical modeling based on machine learning combined with data-mining techniques may represent an alternative, useful option to predict the effect of the food matrix on chemical reactivity and to identify chemical and physical properties to be further tested. In such a way the mechanistic understanding of the effect of the food matrix on chemical reactions can be improved.
Modeling non-isothermal multiphase multi-species reactive chemical transport in geologic media
Energy Technology Data Exchange (ETDEWEB)
Tianfu Xu; Gerard, F.; Pruess, K.; Brimhall, G.
1997-07-01
The assessment of mineral deposits, the analysis of hydrothermal convection systems, the performance of radioactive, urban and industrial waste disposal, the study of groundwater pollution, and the understanding of natural groundwater quality patterns all require modeling tools that can consider both the transport of dissolved species as well as their interactions with solid (or other) phases in geologic media and engineered barriers. Here, a general multi-species reactive transport formulation has been developed, which is applicable to homogeneous and/or heterogeneous reactions that can proceed either subject to local equilibrium conditions or kinetic rates under non-isothermal multiphase flow conditions. Two numerical solution methods, the direct substitution approach (DSA) and sequential iteration approach (SIA) for solving the coupled complex subsurface thermo-physical-chemical processes, are described. An efficient sequential iteration approach, which solves transport of solutes and chemical reactions sequentially and iteratively, is proposed for the current reactive chemical transport computer code development. The coupled flow (water, vapor, air and heat) and solute transport equations are also solved sequentially. The existing multiphase flow code TOUGH2 and geochemical code EQ3/6 are used to implement this SIA. The flow chart of the coupled code TOUGH2-EQ3/6, required modifications of the existing codes and additional subroutines needed are presented.
Pollutant transport in clayey sands: reactive flows in saturated porous media and unsaturated flows
International Nuclear Information System (INIS)
Cadalen, Sebastien
2008-01-01
In the context of nuclear risk control associated to nuclear waste storage, the french nuclear agency plays an increasing role in terms of research and development in the area of subsurface contamination. This study focuses on an homogeneous porous media constituted of Fontainebleau sand and clay grains (illite) presenting sorption capacities. The modeling of the complex geometry and physical phenomena at different scales enables us to describe the average transport at Darcy's scale. The two main axes developed are the impact of an heterogeneous sorption on transport phenomena and the dispersivity of an unsaturated porous media. (author) [fr
Leuthold, Julien; Blundy, Jon; Holness, Marian
2014-05-01
We will present a detailed microstructural and geochemical study of reactive liquid flow in Unit 9 of the Rum Eastern Layered Intrusion. In the study region, Unit 9 comprises an underlying lens-like body of peridotite overlain by a sequence of troctolite and gabbro (termed allivalite), with some local and minor anorthosite. The troctolite is separated from the overlying gabbro by a distinct, sub-horizontal, undulose horizon (the major wavy horizon). Higher in the stratigraphy is another, similar, horizon (the minor wavy horizon) that separates relatively clinopyroxene-poor gabbro from an overlying gabbro. To the north of the peridotite lens, both troctolite and gabbro grade into poikilitic gabbro. Clinopyroxene habit in the allivalite varies from thin rims around olivine in troctolite, to equigranular crystals in gabbro, to oikocrysts in the poikilitic gabbro. The poikilitic gabbros contain multiple generations of clinopyroxene, with Cr-rich (~1.1 wt.% Cr2O3), anhedral cores with moderate REE concentrations (core1) overgrown by an anhedral REE-depleted second generation with moderate Cr (~0.7 wt.% Cr2O3) (core2). These composite cores are rimmed by Cr-poor (~0.2 wt.% Cr2O3) and REE-poor to moderate clinopyroxene. We interpret these microstructures as a consequence of two separate episodes of partial melting triggered by the intrusion of hot olivine-phyric picrite to form the discontinuous lenses that comprise the Unit 9 peridotite. Loss of clinopyroxene-saturated partial melt from the lower part of the allivalite immediately following the early stages of sill intrusion resulted in the formation of clinopyroxene-poor gabbro. The spatial extent of clinopyroxene loss is marked by the minor wavy horizon. A further partial melting event stripped out almost all clinopyroxene from the lowest allivalite, to form a troctolite, with the major wavy horizon marking the extent of melting during this second episode. The poikilitic gabbro formed from clinopyroxene-saturated melt
Unifying Model-Based and Reactive Programming within a Model-Based Executive
Williams, Brian C.; Gupta, Vineet; Norvig, Peter (Technical Monitor)
1999-01-01
Real-time, model-based, deduction has recently emerged as a vital component in AI's tool box for developing highly autonomous reactive systems. Yet one of the current hurdles towards developing model-based reactive systems is the number of methods simultaneously employed, and their corresponding melange of programming and modeling languages. This paper offers an important step towards unification. We introduce RMPL, a rich modeling language that combines probabilistic, constraint-based modeling with reactive programming constructs, while offering a simple semantics in terms of hidden state Markov processes. We introduce probabilistic, hierarchical constraint automata (PHCA), which allow Markov processes to be expressed in a compact representation that preserves the modularity of RMPL programs. Finally, a model-based executive, called Reactive Burton is described that exploits this compact encoding to perform efficIent simulation, belief state update and control sequence generation.
Influence of the void fraction in the linear reactivity model
International Nuclear Information System (INIS)
Castillo, J.A.; Ramirez, J.R.; Alonso, G.
2003-01-01
The linear reactivity model allows the multicycle analysis in pressurized water reactors in a simple and quick way. In the case of the Boiling water reactors the void fraction it varies axially from 0% of voids in the inferior part of the fuel assemblies until approximately 70% of voids to the exit of the same ones. Due to this it is very important the determination of the average void fraction during different stages of the reactor operation to predict the burnt one appropriately of the same ones to inclination of the pattern of linear reactivity. In this work a pursuit is made of the profile of power for different steps of burnt of a typical operation cycle of a Boiling water reactor. Starting from these profiles it builds an algorithm that allows to determine the voids profile and this way to obtain the average value of the same one. The results are compared against those reported by the CM-PRESTO code that uses another method to carry out this calculation. Finally, the range in which is the average value of the void fraction during a typical cycle is determined and an estimate of the impact that it would have the use of this value in the prediction of the reactivity produced by the fuel assemblies is made. (Author)
empirical modeling of oxygen modeling of oxygen uptake of flow
African Journals Online (AJOL)
eobe
structure. Keywords: stepped chute, skimming flow, aeration l. 1. INTRODUCTION ..... [3] Toombes, L. and Chanson, H., “Air-water flow and gas transfer at aeration ... of numerical model of the flow behaviour through smooth and stepped.
International Nuclear Information System (INIS)
Varloteaux, C.
2012-01-01
The geo-sequestration of carbon dioxide (CO 2 ) is an attractive option to reduce the emission of greenhouse gases. Within carbonate reservoirs, acidification of brine in place can occur during CO 2 injection. This acidification leads to mineral dissolution which can modify the transport properties of a solute in porous media. The aim of this study is to quantify the impact of reactive transport on a solute distribution and on the structural modification induced by the reaction from the pore to the reservoir scale. This study is focused on reactive transport problem in the case of single phase flow in the limit of long time. To do so, we used a multi-scale up-scaling method that takes into account (i) the local scale, where flow, reaction and transport are known; (ii) the pore scale, where the reactive transport is addressed by using averaged formulation of the local equations; (iii) the Darcy scale (also called core scale), where the structure of the rock is taken into account by using a three-dimensions network of pore-bodies connected by pore-throats; and (iv) the reservoir scale, where physical phenomenon, within each cell of the reservoir model, are taken into account by introducing macroscopic coefficients deduced from the study of these phenomenon at the Darcy scale, such as the permeability, the apparent reaction rate, the solute apparent velocity and dispersion. (author)
Web-based reactive transport modeling using PFLOTRAN
Zhou, H.; Karra, S.; Lichtner, P. C.; Versteeg, R.; Zhang, Y.
2017-12-01
Actionable understanding of system behavior in the subsurface is required for a wide spectrum of societal and engineering needs by both commercial firms and government entities and academia. These needs include, for example, water resource management, precision agriculture, contaminant remediation, unconventional energy production, CO2 sequestration monitoring, and climate studies. Such understanding requires the ability to numerically model various coupled processes that occur across different temporal and spatial scales as well as multiple physical domains (reservoirs - overburden, surface-subsurface, groundwater-surface water, saturated-unsaturated zone). Currently, this ability is typically met through an in-house approach where computational resources, model expertise, and data for model parameterization are brought together to meet modeling needs. However, such an approach has multiple drawbacks which limit the application of high-end reactive transport codes such as the Department of Energy funded[?] PFLOTRAN code. In addition, while many end users have a need for the capabilities provided by high-end reactive transport codes, they do not have the expertise - nor the time required to obtain the expertise - to effectively use these codes. We have developed and are actively enhancing a cloud-based software platform through which diverse users are able to easily configure, execute, visualize, share, and interpret PFLOTRAN models. This platform consists of a web application and available on-demand HPC computational infrastructure. The web application consists of (1) a browser-based graphical user interface which allows users to configure models and visualize results interactively, and (2) a central server with back-end relational databases which hold configuration, data, modeling results, and Python scripts for model configuration, and (3) a HPC environment for on-demand model execution. We will discuss lessons learned in the development of this platform, the
Dick, Gregory M.; Namani, Ravi; Patel, Bhavesh; Kassab, Ghassan S.
2018-01-01
Myogenic responses (pressure-dependent contractions) of coronary arterioles play a role in autoregulation (relatively constant flow vs. pressure). Publications on myogenic reactivity in swine coronaries vary in caliber, analysis, and degree of responsiveness. Further, data on myogenic responses and autoregulation in swine have not been completely compiled, compared, and modeled. Thus, it has been difficult to understand these physiological phenomena. Our purpose was to: (a) analyze myogenic data with standard criteria; (b) assign results to diameter categories defined by morphometry; and (c) use our novel multiscale flow model to determine the extent to which ex vivo myogenic reactivity can explain autoregulation in vivo. When myogenic responses from the literature are an input for our model, the predicted coronary autoregulation approaches in vivo observations. More complete and appropriate data are now available to investigate the regulation of coronary blood flow in swine, a highly relevant model for human physiology and disease. PMID:29875686
Directory of Open Access Journals (Sweden)
Gregory M. Dick
2018-05-01
Full Text Available Myogenic responses (pressure-dependent contractions of coronary arterioles play a role in autoregulation (relatively constant flow vs. pressure. Publications on myogenic reactivity in swine coronaries vary in caliber, analysis, and degree of responsiveness. Further, data on myogenic responses and autoregulation in swine have not been completely compiled, compared, and modeled. Thus, it has been difficult to understand these physiological phenomena. Our purpose was to: (a analyze myogenic data with standard criteria; (b assign results to diameter categories defined by morphometry; and (c use our novel multiscale flow model to determine the extent to which ex vivo myogenic reactivity can explain autoregulation in vivo. When myogenic responses from the literature are an input for our model, the predicted coronary autoregulation approaches in vivo observations. More complete and appropriate data are now available to investigate the regulation of coronary blood flow in swine, a highly relevant model for human physiology and disease.
Stable isotope reactive transport modeling in water-rock interactions during CO2 injection
Hidalgo, Juan J.; Lagneau, Vincent; Agrinier, Pierre
2010-05-01
Stable isotopes can be of great usefulness in the characterization and monitoring of CO2 sequestration sites. Stable isotopes can be used to track the migration of the CO2 plume and identify leakage sources. Moreover, they provide unique information about the chemical reactions that take place on the CO2-water-rock system. However, there is a lack of appropriate tools that help modelers to incorporate stable isotope information into the flow and transport models used in CO2 sequestration problems. In this work, we present a numerical tool for modeling the transport of stable isotopes in groundwater reactive systems. The code is an extension of the groundwater single-phase flow and reactive transport code HYTEC [2]. HYTEC's transport module was modified to include element isotopes as separate species. This way, it is able to track isotope composition of the system by computing the mixing between the background water and the injected solution accounting for the dependency of diffusion on the isotope mass. The chemical module and database have been expanded to included isotopic exchange with minerals and the isotope fractionation associated with chemical reactions and mineral dissolution or precipitation. The performance of the code is illustrated through a series of column synthetic models. The code is also used to model the aqueous phase CO2 injection test carried out at the Lamont-Doherty Earth Observatory site (Palisades, New York, USA) [1]. References [1] N. Assayag, J. Matter, M. Ader, D. Goldberg, and P. Agrinier. Water-rock interactions during a CO2 injection field-test: Implications on host rock dissolution and alteration effects. Chemical Geology, 265(1-2):227-235, July 2009. [2] Jan van der Lee, Laurent De Windt, Vincent Lagneau, and Patrick Goblet. Module-oriented modeling of reactive transport with HYTEC. Computers & Geosciences, 29(3):265-275, April 2003.
Formal Requirements Modeling for Reactive Systems with Coloured Petri Nets
DEFF Research Database (Denmark)
Tjell, Simon
This dissertation presents the contributions of seven publications all concerned with the application of Coloured Petri Nets (CPN) to requirements modeling for reactive systems. The publications are introduced along with relevant background material and related work, and their contributions...... to take into concern that the behavior of human actors is less likely to be predictable than the behavior of e.g. mechanical components. In the second approach, the CPN model is parameterized and utilizes a generic and reusable CPN module operating as an SD interpreter. In addition to distinguishing...... and events. A tool is presented that allows automated validation of the structure of CPN models with respect to the guidelines. Next, three publications on integrating Jackson's Problem Frames with CPN requirements models are presented: The first publication introduces a method for systematically structuring...
Control Rod Driveline Reactivity Feedback Model for Liquid Metal Reactors
International Nuclear Information System (INIS)
Kwon, Young-Min; Jeong, Hae-Yong; Chang, Won-Pyo; Cho, Chung-Ho; Lee, Yong-Bum
2008-01-01
The thermal expansion of the control rod drivelines (CRDL) is one important passive mitigator under all unprotected accident conditions in the metal and oxide cores. When the CRDL are washed by hot sodium in the coolant outlet plenum, the CRDL thermally expands and causes the control rods to be inserted further down into the active core region, providing a negative reactivity feedback. Since the control rods are attached to the top of the vessel head and the core attaches to the bottom of the reactor vessel (RV), the expansion of the vessel wall as it heats will either lower the core or raise the control rods supports. This contrary thermal expansion of the reactor vessel wall pulls the control rods out of the core somewhat, providing a positive reactivity feedback. However this is not a safety factor early in a transient because its time constant is relatively large. The total elongated length is calculated by subtracting the vessel expansion from the CRDL expansion to determine the net control rod expansion into the core. The system-wide safety analysis code SSC-K includes the CRDL/RV reactivity feedback model in which control rod and vessel expansions are calculated using single-nod temperatures for the vessel and CRDL masses. The KALIMER design has the upper internal structures (UIS) in which the CRDLs are positioned outside the structure where they are exposed to the mixed sodium temperature exiting the core. A new method to determine the CRDL expansion is suggested. Two dimensional hot pool thermal hydraulic model (HP2D) originally developed for the analysis of the stratification phenomena in the hot pool is utilized for a detailed heat transfer between the CRDL mass and the hot pool coolant. However, the reactor vessel wall temperature is still calculated by a simple lumped model
RICE: a computer program for multicomponent chemically reactive flows at all speeds
International Nuclear Information System (INIS)
Rivard, W.C.; Farmer, O.A.; Butler, T.D.
1974-11-01
The fluid dynamics of chemically reactive mixtures are calculated at arbitrary flow speeds with the RICE program. The dynamics are governed by the two-dimensional, time-dependent Navier-Stokes equations together with the species transport equations and the mass-action rate equations for the chemical reactions. The mass and momentum equations for the mixture are solved implicitly by the ICE technique. The equations for total energy and species transport are solved explicitly while the chemical rate equations are solved implicitly with a time step that may be a submultiple of the hydrodynamic time step. Application is made to continuous wave HF chemical lasers to compute the supersonic mixing and chemical reactions that take place in the lasing cavity. (U.S.)
Application of Reactive Transport Modeling to Heap Bioleaching of Copper
Liu, W.
2017-12-01
Copper heap bioleaching is a complex industrial process that utilizes oxidative chemical leaching and microbial activities to extract copper from packed ore beds. Mathematical modelling is an effective tool for identifying key factors that determine the leaching performance. HeapSim is a modelling tool that incorporates all fundamental processes that occur in a heap under leach, such as the movement of leaching solution, chemical reaction kinetics, heat transfer, and microbial activities, to predict the leaching behavior of a heap. In this study, the HeapSim model was applied to simulate chalcocite heap bioleaching at Quebrada Blanca mine located in the Northern Chile. The main findings were that the model could be satisfactorily calibrated and validated to simulate chalcocite leaching. Heap temperature was sensitive to the changes in the raffinate temperature, raffinate flow rate, and the extent of pyrite oxidation. At high flow rates, heap temperature was controlled by the raffinate temperature. In contrast, heat removal by the raffinate solution flow was insignificant at low flow rates, leading to the accumulation of heat generated by pyrite reaction and therefore an increase in heap temperature.
Site-Scale Saturated Zone Flow Model
International Nuclear Information System (INIS)
G. Zyvoloski
2003-01-01
The purpose of this model report is to document the components of the site-scale saturated-zone flow model at Yucca Mountain, Nevada, in accordance with administrative procedure (AP)-SIII.lOQ, ''Models''. This report provides validation and confidence in the flow model that was developed for site recommendation (SR) and will be used to provide flow fields in support of the Total Systems Performance Assessment (TSPA) for the License Application. The output from this report provides the flow model used in the ''Site-Scale Saturated Zone Transport'', MDL-NBS-HS-000010 Rev 01 (BSC 2003 [162419]). The Site-Scale Saturated Zone Transport model then provides output to the SZ Transport Abstraction Model (BSC 2003 [164870]). In particular, the output from the SZ site-scale flow model is used to simulate the groundwater flow pathways and radionuclide transport to the accessible environment for use in the TSPA calculations. Since the development and calibration of the saturated-zone flow model, more data have been gathered for use in model validation and confidence building, including new water-level data from Nye County wells, single- and multiple-well hydraulic testing data, and new hydrochemistry data. In addition, a new hydrogeologic framework model (HFM), which incorporates Nye County wells lithology, also provides geologic data for corroboration and confidence in the flow model. The intended use of this work is to provide a flow model that generates flow fields to simulate radionuclide transport in saturated porous rock and alluvium under natural or forced gradient flow conditions. The flow model simulations are completed using the three-dimensional (3-D), finite-element, flow, heat, and transport computer code, FEHM Version (V) 2.20 (software tracking number (STN): 10086-2.20-00; LANL 2003 [161725]). Concurrently, process-level transport model and methodology for calculating radionuclide transport in the saturated zone at Yucca Mountain using FEHM V 2.20 are being
A simple analytical model for reactive particle ignition in explosives
Energy Technology Data Exchange (ETDEWEB)
Tanguay, Vincent [Defence Research and Development Canada - Valcartier, 2459 Pie XI Blvd. North, Quebec, QC, G3J 1X5 (Canada); Higgins, Andrew J. [Department of Mechanical Engineering, McGill University, 817 Sherbrooke St. West, Montreal, QC, H3A 2K6 (Canada); Zhang, Fan [Defence Research and Development Canada - Suffield, P. O. Box 4000, Stn Main, Medicine Hat, AB, T1A 8K6 (Canada)
2007-10-15
A simple analytical model is developed to predict ignition of magnesium particles in nitromethane detonation products. The flow field is simplified by considering the detonation products as a perfect gas expanding in a vacuum in a planar geometry. This simplification allows the flow field to be solved analytically. A single particle is then introduced in this flow field. Its trajectory and heating history are computed. It is found that most of the particle heating occurs in the Taylor wave and in the quiescent flow region behind it, shortly after which the particle cools. By considering only these regions, thereby considerably simplifying the problem, the flow field can be solved analytically with a more realistic equation of state (such as JWL) and a spherical geometry. The model is used to compute the minimum charge diameter for particle ignition to occur. It is found that the critical charge diameter for particle ignition increases with particle size. These results are compared to experimental data and show good agreement. (Abstract Copyright [2007], Wiley Periodicals, Inc.)
Studying shocks in model astrophysical flows
International Nuclear Information System (INIS)
Chakrabarti, S.K.
1989-01-01
We briefly discuss some properties of the shocks in the existing models for quasi two-dimensional astrophysical flows. All of these models which allow the study of shock analytically have some unphysical characteristics due to inherent assumptions made. We propose a hybrid model for a thin flow which has fewer unpleasant features and is suitable for the study of shocks. (author). 5 refs
Coupled models in porous media: reactive transport and fractures
International Nuclear Information System (INIS)
Amir, L.
2008-12-01
This thesis deals with numerical simulation of coupled models for flow and transport in porous media. We present a new method for coupling chemical reactions and transport by using a Newton-Krylov method, and we also present a model of flow in fractured media, based on a domain decomposition method that takes into account the case of intersecting fractures. This study is composed of three parts: the first part contains an analysis, and implementation, of various numerical methods for discretizing advection-diffusion problems, in particular by using operator splitting methods. The second part is concerned with a fully coupled method for modeling transport and chemistry problems. The coupled transport-chemistry model is described, after discretization in time, by a system of nonlinear equations. The size of the system, namely the number of grid points times the number a chemical species, precludes a direct solution of the linear system. To alleviate this difficulty, we solve the system by a Newton-Krylov method, so as to avoid forming and factoring the Jacobian matrix. In the last part, we present a model of flow in 3D for intersecting fractures, by using a domain decomposition method. The fractures are treated as interfaces between sub-domains. We show existence and uniqueness of the solution, and we validate the model by numerical tests. (author)
Meyer, P. D.; Yabusaki, S.; Curtis, G. P.; Ye, M.; Fang, Y.
2011-12-01
A three-dimensional, variably-saturated flow and multicomponent biogeochemical reactive transport model of uranium bioremediation was used to generate synthetic data . The 3-D model was based on a field experiment at the U.S. Dept. of Energy Rifle Integrated Field Research Challenge site that used acetate biostimulation of indigenous metal reducing bacteria to catalyze the conversion of aqueous uranium in the +6 oxidation state to immobile solid-associated uranium in the +4 oxidation state. A key assumption in past modeling studies at this site was that a comprehensive reaction network could be developed largely through one-dimensional modeling. Sensitivity analyses and parameter estimation were completed for a 1-D reactive transport model abstracted from the 3-D model to test this assumption, to identify parameters with the greatest potential to contribute to model predictive uncertainty, and to evaluate model structure and data limitations. Results showed that sensitivities of key biogeochemical concentrations varied in space and time, that model nonlinearities and/or parameter interactions have a significant impact on calculated sensitivities, and that the complexity of the model's representation of processes affecting Fe(II) in the system may make it difficult to correctly attribute observed Fe(II) behavior to modeled processes. Non-uniformity of the 3-D simulated groundwater flux and averaging of the 3-D synthetic data for use as calibration targets in the 1-D modeling resulted in systematic errors in the 1-D model parameter estimates and outputs. This occurred despite using the same reaction network for 1-D modeling as used in the data-generating 3-D model. Predictive uncertainty of the 1-D model appeared to be significantly underestimated by linear parameter uncertainty estimates.
Two-phase flow model with nonequilibrium and critical flow
International Nuclear Information System (INIS)
Sureau, H.; Houdayer, G.
1976-01-01
The model proposed includes the three conservation equations (mass, momentum, energy) applied to the two phase flows and a fourth partial derivative equation which takes into account the nonequilibriums and describes the mass transfer process. With this model, the two phase critical flow tests performed on the Moby-Dick loop (CENG) with several geometries, are interpreted by a unique law. Extrapolations to industrial dimension problems show that geometry and size effects are different from those obtained with earlier models (Zaloudek, Moody, Fauske) [fr
A Chemo-Mechanical Model of Diffusion in Reactive Systems
Directory of Open Access Journals (Sweden)
Kerstin Weinberg
2018-02-01
Full Text Available The functional properties of multi-component materials are often determined by a rearrangement of their different phases and by chemical reactions of their components. In this contribution, a material model is presented which enables computational simulations and structural optimization of solid multi-component systems. Typical Systems of this kind are anodes in batteries, reactive polymer blends and propellants. The physical processes which are assumed to contribute to the microstructural evolution are: (i particle exchange and mechanical deformation; (ii spinodal decomposition and phase coarsening; (iii chemical reactions between the components; and (iv energetic forces associated with the elastic field of the solid. To illustrate the capability of the deduced coupled field model, three-dimensional Non-Uniform Rational Basis Spline (NURBS based finite element simulations of such multi-component structures are presented.
Reactive transport modeling of the ABM experiment with Comsol Multiphysics
International Nuclear Information System (INIS)
Pekala, Marek; Idiart, Andres; Arcos, David
2012-01-01
Document available in extended abstract form only. The Swedish Organisation for Radioactive Waste Disposal (SKB) is considering disposal of the High Level Waste in a deep underground repository in a crystalline rock. According to the disposal concept, bentonite clay will be used in the near-field of the waste packages as buffer material. From solute transport point of view, the bentonite buffer is expected to provide a favourable environment, where radionuclide migration would be limited to slow diffusion and further retarded by sorption. In the KBS-3 repository design, the MX-80 bentonite is the reference buffer material. However, SKB has also been investigating alternative buffer materials. To this end, the field experiment Alternative Buffer Materials (ABM) was started at the Aespoe URL in 2006. Three packages of eleven different compacted bentonite blocks in different configurations have been tested over varying time scales. The packages with outer diameter of 0.28 m were deposited into 3 meter deep boreholes. After installation, packages were saturated and heated differently to target values. This contribution concerns the evolution of Package 1, which was initiated in December 2006 and ran for about 2.5 years. Post-mortem examination after retrieval showed that the initially contrasting chloride concentrations and cation-exchanger compositions between different bentonite blocks became significantly homogenised. It is thought that this behaviour could be explained as a first approximation by diffusion of major ions between the bentonite blocks coupled with cation-exchange. In this work, a modelling study to verify this hypothesis has been undertaken. In addition, the feasibility of implementing a reactive transport model into the Finite Element code COMSOL Multiphysics has been tested. The model considers a two-dimensional axisymmetric geometry of the depositional borehole, and includes coupled diffusion and cation-exchange of Na, K, Ca and Mg (as a chloride
Modeling molecular mixing in a spatially inhomogeneous turbulent flow
Meyer, Daniel W.; Deb, Rajdeep
2012-02-01
Simulations of spatially inhomogeneous turbulent mixing in decaying grid turbulence with a joint velocity-concentration probability density function (PDF) method were conducted. The inert mixing scenario involves three streams with different compositions. The mixing model of Meyer ["A new particle interaction mixing model for turbulent dispersion and turbulent reactive flows," Phys. Fluids 22(3), 035103 (2010)], the interaction by exchange with the mean (IEM) model and its velocity-conditional variant, i.e., the IECM model, were applied. For reference, the direct numerical simulation data provided by Sawford and de Bruyn Kops ["Direct numerical simulation and lagrangian modeling of joint scalar statistics in ternary mixing," Phys. Fluids 20(9), 095106 (2008)] was used. It was found that velocity conditioning is essential to obtain accurate concentration PDF predictions. Moreover, the model of Meyer provides significantly better results compared to the IECM model at comparable computational expense.
To Model Chemical Reactivity in Heterogeneous Emulsions, Think Homogeneous Microemulsions.
Bravo-Díaz, Carlos; Romsted, Laurence Stuart; Liu, Changyao; Losada-Barreiro, Sonia; Pastoriza-Gallego, Maria José; Gao, Xiang; Gu, Qing; Krishnan, Gunaseelan; Sánchez-Paz, Verónica; Zhang, Yongliang; Dar, Aijaz Ahmad
2015-08-25
Two important and unsolved problems in the food industry and also fundamental questions in colloid chemistry are how to measure molecular distributions, especially antioxidants (AOs), and how to model chemical reactivity, including AO efficiency in opaque emulsions. The key to understanding reactivity in organized surfactant media is that reaction mechanisms are consistent with a discrete structures-separate continuous regions duality. Aggregate structures in emulsions are determined by highly cooperative but weak organizing forces that allow reactants to diffuse at rates approaching their diffusion-controlled limit. Reactant distributions for slow thermal bimolecular reactions are in dynamic equilibrium, and their distributions are proportional to their relative solubilities in the oil, interfacial, and aqueous regions. Our chemical kinetic method is grounded in thermodynamics and combines a pseudophase model with methods for monitoring the reactions of AOs with a hydrophobic arenediazonium ion probe in opaque emulsions. We introduce (a) the logic and basic assumptions of the pseudophase model used to define the distributions of AOs among the oil, interfacial, and aqueous regions in microemulsions and emulsions and (b) the dye derivatization and linear sweep voltammetry methods for monitoring the rates of reaction in opaque emulsions. Our results show that this approach provides a unique, versatile, and robust method for obtaining quantitative estimates of AO partition coefficients or partition constants and distributions and interfacial rate constants in emulsions. The examples provided illustrate the effects of various emulsion properties on AO distributions such as oil hydrophobicity, emulsifier structure and HLB, temperature, droplet size, surfactant charge, and acidity on reactant distributions. Finally, we show that the chemical kinetic method provides a natural explanation for the cut-off effect, a maximum followed by a sharp reduction in AO efficiency with
Equivalent model and power flow model for electric railway traction network
Wang, Feng
2018-05-01
An equivalent model of the Cable Traction Network (CTN) considering the distributed capacitance effect of the cable system is proposed. The model can be divided into 110kV side and 27.5kV side two kinds. The 110kV side equivalent model can be used to calculate the power supply capacity of the CTN. The 27.5kV side equivalent model can be used to solve the voltage of the catenary. Based on the equivalent simplified model of CTN, the power flow model of CTN which involves the reactive power compensation coefficient and the interaction of voltage and current, is derived.
Development of a robust model-based reactivity control system
International Nuclear Information System (INIS)
Rovere, L.A.; Otaduy, P.J.; Brittain, C.R.
1990-01-01
This paper describes the development and implementation of a digital model-based reactivity control system that incorporates a knowledge of the plant physics into the control algorithm to improve system performance. This controller is composed of a model-based module and modified proportional-integral-derivative (PID) module. The model-based module has an estimation component to synthesize unmeasurable process variables that are necessary for the control action computation. These estimated variables, besides being used within the control algorithm, will be used for diagnostic purposes by a supervisory control system under development. The PID module compensates for inaccuracies in model coefficients by supplementing the model-based output with a correction term that eliminates any demand tracking or steady state errors. This control algorithm has been applied to develop controllers for a simulation of liquid metal reactors in a multimodular plant. It has shown its capability to track demands in neutron power much more accurately than conventional controllers, reducing overshoots to almost negligible value while providing a good degree of robustness to unmodeled dynamics. 10 refs., 4 figs
Physicochemical model for reactive sputtering of hot target
Energy Technology Data Exchange (ETDEWEB)
Shapovalov, Viktor I., E-mail: vishapovalov@mail.ru; Karzin, Vitaliy V.; Bondarenko, Anastasia S.
2017-02-05
A physicochemical model for reactive magnetron sputtering of a metal target is described in this paper. The target temperature in the model is defined as a function of the ion current density. Synthesis of the coating occurs due to the surface chemical reaction. The law of mass action, the Langmuir isotherm and the Arrhenius equation for non-isothermal conditions were used for mathematical description of the reaction. The model takes into consideration thermal electron emission and evaporation of the target surface. The system of eight algebraic equations, describing the model, was solved for the tantalum target sputtered in the oxygen environment. It was established that the hysteresis effect disappears with the increase of the ion current density. - Highlights: • When model is applied for a cold target, hysteresis width is proportional to the ion current density. • Two types of processes of hot target sputtering are possible, depending on the current density: with and without the hysteresis. • Sputtering process is dominant at current densities less than 50 A/m{sup 2} and evaporation can be neglected. • For current densities over 50 A/m{sup 2} the hysteresis width reaches its maximum and the role of evaporation increases.
Gerardin, Jaline; Bever, Caitlin A; Bridenbecker, Daniel; Hamainza, Busiku; Silumbe, Kafula; Miller, John M; Eisele, Thomas P; Eckhoff, Philip A; Wenger, Edward A
2017-06-12
Reactive case detection could be a powerful tool in malaria elimination, as it selectively targets transmission pockets. However, field operations have yet to demonstrate under which conditions, if any, reactive case detection is best poised to push a region to elimination. This study uses mathematical modelling to assess how baseline transmission intensity and local interconnectedness affect the impact of reactive activities in the context of other possible intervention packages. Communities in Southern Province, Zambia, where elimination operations are currently underway, were used as representatives of three archetypes of malaria transmission: low-transmission, high household density; high-transmission, low household density; and high-transmission, high household density. Transmission at the spatially-connected household level was simulated with a dynamical model of malaria transmission, and local variation in vectorial capacity and intervention coverage were parameterized according to data collected from the area. Various potential intervention packages were imposed on each of the archetypical settings and the resulting likelihoods of elimination by the end of 2020 were compared. Simulations predict that success of elimination campaigns in both low- and high-transmission areas is strongly dependent on stemming the flow of imported infections, underscoring the need for regional-scale strategies capable of reducing transmission concurrently across many connected areas. In historically low-transmission areas, treatment of clinical malaria should form the cornerstone of elimination operations, as most malaria infections in these areas are symptomatic and onward transmission would be mitigated through health system strengthening; reactive case detection has minimal impact in these settings. In historically high-transmission areas, vector control and case management are crucial for limiting outbreak size, and the asymptomatic reservoir must be addressed through
Aeroacoustic modelling of low-speed flows
Energy Technology Data Exchange (ETDEWEB)
Wen Zhong Shen; Noerkaer Soerensen, Jens
1998-08-01
A new numerical algorithm for acoustic noise generation is developed. The approach involves two steps comprising an incompressible flow part and inviscid acoustic part. The acoustic part can be started at any time of the incompressible computation. The formulation can be applied both for isentropic flows and non-isentropic flows. The model is validated for the cases of an isentropic pulsating sphere and non-isentropic flows past a circular cylinder and a NACA 0015 airfoil. The computations show that the generated acoustic frequencies have the form 1/m of the basic frequency of incompressible flow. (au) 15 refs.
Ahmad, S.; Farooq, M.; Javed, M.; Anjum, Aisha
2018-03-01
A current analysis is carried out to study theoretically the mixed convection characteristics in squeezing flow of Sutterby fluid in squeezed channel. The constitutive equation of Sutterby model is utilized to characterize the rheology of squeezing phenomenon. Flow characteristics are explored with dual stratification. In flowing fluid which contains heat and mass transport, the first order chemical reaction and radiative heat flux affect the transport phenomenon. The systems of non-linear governing equations have been modulating which then solved by mean of convergent approach (Homotopy Analysis Method). The graphs are reported and illustrated for emerging parameters. Through graphical explanations, drag force, rate of heat and mass transport are conversed for different pertinent parameters. It is found that heat and mass transport rate decays with dominant double stratified parameters and chemical reaction parameter. The present two-dimensional examination is applicable in some of the engineering processes and industrial fluid mechanics.
A turbulent two-phase flow model for nebula flows
International Nuclear Information System (INIS)
Champney, J.M.; Cuzzi, J.N.
1990-01-01
A new and very efficient turbulent two-phase flow numericaly model is described to analyze the environment of a protoplanetary nebula at a stage prior to the formation of planets. Focus is on settling processes of dust particles in flattened gaseous nebulae. The model employs a perturbation technique to improve the accuracy of the numerical simulations of such flows where small variations of physical quantities occur over large distance ranges. The particles are allowed to be diffused by gas turbulence in addition to settling under gravity. Their diffusion coefficients is related to the gas turbulent viscosity by the non-dimensional Schmidt number. The gas turbulent viscosity is determined by the means of the eddy viscosity hypothesis that assumes the Reynolds stress tensor proportional to the mean strain rate tensor. Zero- and two-equation turbulence models are employed. Modeling assumptions are detailed and discussed. The numerical model is shown to reproduce an existing analytical solution for the settling process of particles in an inviscid nebula. Results of nebula flows are presented taking into account turbulence effects of nebula flows. Diffusion processes are found to control the settling of particles. 24 refs
A Review on Macroscopic Pedestrian Flow Modelling
Directory of Open Access Journals (Sweden)
Anna Kormanová
2013-12-01
Full Text Available This paper reviews several various approaches to macroscopic pedestrian modelling. It describes hydrodynamic models based on similarity of pedestrian flow with fluids and gases; first-order flow models that use fundamental diagrams and conservation equation; and a model similar to LWR vehicular traffic model, which allows non-classical shocks. At the end of the paper there is stated a comparison of described models, intended to find appropriate macroscopic model to eventually be a part of a hybrid model. The future work of the author is outlined.
Probabilistically modeling lava flows with MOLASSES
Richardson, J. A.; Connor, L.; Connor, C.; Gallant, E.
2017-12-01
Modeling lava flows through Cellular Automata methods enables a computationally inexpensive means to quickly forecast lava flow paths and ultimate areal extents. We have developed a lava flow simulator, MOLASSES, that forecasts lava flow inundation over an elevation model from a point source eruption. This modular code can be implemented in a deterministic fashion with given user inputs that will produce a single lava flow simulation. MOLASSES can also be implemented in a probabilistic fashion where given user inputs define parameter distributions that are randomly sampled to create many lava flow simulations. This probabilistic approach enables uncertainty in input data to be expressed in the model results and MOLASSES outputs a probability map of inundation instead of a determined lava flow extent. Since the code is comparatively fast, we use it probabilistically to investigate where potential vents are located that may impact specific sites and areas, as well as the unconditional probability of lava flow inundation of sites or areas from any vent. We have validated the MOLASSES code to community-defined benchmark tests and to the real world lava flows at Tolbachik (2012-2013) and Pico do Fogo (2014-2015). To determine the efficacy of the MOLASSES simulator at accurately and precisely mimicking the inundation area of real flows, we report goodness of fit using both model sensitivity and the Positive Predictive Value, the latter of which is a Bayesian posterior statistic. Model sensitivity is often used in evaluating lava flow simulators, as it describes how much of the lava flow was successfully modeled by the simulation. We argue that the positive predictive value is equally important in determining how good a simulator is, as it describes the percentage of the simulation space that was actually inundated by lava.
Reactive Transport Modeling of the Yucca Mountain Site, Nevada
International Nuclear Information System (INIS)
G. Bodvarsson
2004-01-01
The Yucca Mountain site has a dry climate and deep water table, with the repository located in the middle of an unsaturated zone approximately 600 m thick. Radionuclide transport processes from the repository to the water table are sensitive to the unsaturated zone flow field, as well as to sorption, matrix diffusion, radioactive decay, and colloid transport mechanisms. The unsaturated zone flow and transport models are calibrated against both physical and chemical data, including pneumatic pressure, liquid saturation, water potential, temperature, chloride, and calcite. The transport model predictions are further compared with testing specific to unsaturated zone transport: at Alcove 1 in the Exploratory Studies Facility (ESF), at Alcove 8 and Niche 3 of the ESF, and at the Busted Butte site. The models are applied to predict the breakthroughs at the water table for nonsorbing and sorbing radionuclides, with faults shown as the important paths for radionuclide transport. Daughter products of some important radionuclides, such as 239 Pu and 241 Am, have faster transport than the parents and must be considered in the unsaturated zone transport model. Colloid transport is significantly affected by colloid size, but only negligibly affected by lunetic declogging (reverse filtering) mechanisms. Unsaturated zone model uncertainties are discussed, including the sensitivity of breakthrough to the active fracture model parameter, as an example of uncertainties related to detailed flow characteristics and fracture-matrix interaction. It is expected that additional benefits from the unsaturated zone barrier for transport can be achieved by full implementation of the shadow zone concept immediately below the radionuclide release points in the waste emplacement drifts
Numerical solution of chemically reactive non-Newtonian fluid flow: Dual stratification
Rehman, Khalil Ur; Malik, M. Y.; Khan, Abid Ali; Zehra, Iffat; Zahri, Mostafa; Tahir, M.
2017-12-01
We have found that only a few attempts are available in the literature relatively to the tangent hyperbolic fluid flow induced by stretching cylindrical surfaces. In particular, temperature and concentration stratification effects have not been investigated until now with respect to the tangent hyperbolic fluid model. Therefore, we have considered the tangent hyperbolic fluid flow induced by an acutely inclined cylindrical surface in the presence of both temperature and concentration stratification effects. To be more specific, the fluid flow is attained with the no slip condition, which implies that the bulk motion of the fluid particles is the same as the stretching velocity of a cylindrical surface. Additionally, the flow field situation is manifested with heat generation, mixed convection and chemical reaction effects. The flow partial differential equations give a complete description of the present problem. Therefore, to trace out the solution, a set of suitable transformations is introduced to convert these equations into ordinary differential equations. In addition, a self-coded computational algorithm is executed to inspect the numerical solution of these reduced equations. The effect logs of the involved parameters are provided graphically. Furthermore, the variations of the physical quantities are examined and given with the aid of tables. It is observed that the fluid temperature is a decreasing function of the thermal stratification parameter and a similar trend is noticed for the concentration via the solutal stratification parameter.
International Nuclear Information System (INIS)
Sarkar, Sohini; Kosson, David S.; Brown, Kevin; Garrabrants, Andrew C.; Meeussen, Hans; Van der Sloot, Hans
2013-01-01
A numerical simulation framework is presented in this paper for estimating evolution of pH and release of major species from grout within high-level waste tanks after closure. This model was developed as part of the Cementitious Barriers Partnership. The reactive transport model consists of two parts - (1) transport of species, and (2) chemical reactions. The closure grout can be assumed to have varying extents of cracking and composition for performance assessment purposes. The partially or completely degraded grouted tank is idealized as a dual regime system comprising of a mobile region having solid materials with cracks and macro-pores, and an immobile/stagnant region having solid matrix with micropores. The transport profiles of the species are calculated by incorporating advection of species through the mobile region, diffusion of species through the immobile/stagnant region, and exchange of species between the mobile and immobile regions. A geochemical speciation code in conjunction with the pH dependent test data for a grout material is used to obtain a mineral set that best describes the trends in the test data of the major species. The dual regime reactive transport model predictions are compared with the release data from an up-flow column percolation test. The coupled model is then used to assess effects of crack state of the structure, rate and composition of the infiltrating water on the pH evolution at the grout-waste interface. The coupled reactive transport model developed in this work can be used as part of the performance assessment process for evaluating potential risks from leaching of a cracked tank containing elements of human health and environmental concern. (authors)
Energy Technology Data Exchange (ETDEWEB)
Sarkar, Sohini; Kosson, David S.; Brown, Kevin; Garrabrants, Andrew C. [Consortium for Risk Assessment with Stakeholder Participation - CRESP, Vanderbilt University, Nashville, TN (United States); Meeussen, Hans [Consortium for Risk Assessment with Stakeholder Participation - CRESP, Nuclear Research and Consultancy Group, Petten (Netherlands); Van der Sloot, Hans [Consortium for Risk Assessment with Stakeholder Participation - CRESP, Hans Van der Sloot Consultancy (Netherlands)
2013-07-01
A numerical simulation framework is presented in this paper for estimating evolution of pH and release of major species from grout within high-level waste tanks after closure. This model was developed as part of the Cementitious Barriers Partnership. The reactive transport model consists of two parts - (1) transport of species, and (2) chemical reactions. The closure grout can be assumed to have varying extents of cracking and composition for performance assessment purposes. The partially or completely degraded grouted tank is idealized as a dual regime system comprising of a mobile region having solid materials with cracks and macro-pores, and an immobile/stagnant region having solid matrix with micropores. The transport profiles of the species are calculated by incorporating advection of species through the mobile region, diffusion of species through the immobile/stagnant region, and exchange of species between the mobile and immobile regions. A geochemical speciation code in conjunction with the pH dependent test data for a grout material is used to obtain a mineral set that best describes the trends in the test data of the major species. The dual regime reactive transport model predictions are compared with the release data from an up-flow column percolation test. The coupled model is then used to assess effects of crack state of the structure, rate and composition of the infiltrating water on the pH evolution at the grout-waste interface. The coupled reactive transport model developed in this work can be used as part of the performance assessment process for evaluating potential risks from leaching of a cracked tank containing elements of human health and environmental concern. (authors)
Coupled processes of fluid flow, solute transport, and geochemical reactions in reactive barriers
Energy Technology Data Exchange (ETDEWEB)
Kim, Jeongkon; Schwartz, Franklin W.; Xu, Tianfu; Choi, Heechul, and Kim, In S.
2004-01-02
A complex pattern of coupling between fluid flow and mass transport develops when heterogeneous reactions occur. For instance, dissolution and precipitation reactions can change a porous medium's physical properties, such as pore geometry and thus permeability. These changes influence fluid flow, which in turn impacts the composition of dissolved constituents and the solid phases, and the rate and direction of advective transport. Two-dimensional modeling studies using TOUGHREACT were conducted to investigate the coupling between flow and transport developed as a consequence of differences in density, dissolution precipitation, and medium heterogeneity. The model includes equilibrium reactions for aqueous species, kinetic reactions between the solid phases and aqueous constituents, and full coupling of porosity and permeability changes resulting from precipitation and dissolution reactions in porous media. In addition, a new permeability relationship is implemented in TOUGHREACT to examine the effects of geochemical reactions and density difference on plume migration in porous media. Generally, the evolutions in the concentrations of the aqueous phase are intimately related to the reaction-front dynamics. Plugging of the medium contributed to significant transients in patterns of flow and mass transport.
Directory of Open Access Journals (Sweden)
S. Ahmad
2018-03-01
Full Text Available A current analysis is carried out to study theoretically the mixed convection characteristics in squeezing flow of Sutterby fluid in squeezed channel. The constitutive equation of Sutterby model is utilized to characterize the rheology of squeezing phenomenon. Flow characteristics are explored with dual stratification. In flowing fluid which contains heat and mass transport, the first order chemical reaction and radiative heat flux affect the transport phenomenon. The systems of non-linear governing equations have been modulating which then solved by mean of convergent approach (Homotopy Analysis Method. The graphs are reported and illustrated for emerging parameters. Through graphical explanations, drag force, rate of heat and mass transport are conversed for different pertinent parameters. It is found that heat and mass transport rate decays with dominant double stratified parameters and chemical reaction parameter. The present two-dimensional examination is applicable in some of the engineering processes and industrial fluid mechanics. Keywords: Squeezing flow, Sutterby fluid model, Mixed convection, Double stratification, Thermal radiation, Chemical reaction
Reactive model for developing applications using Vert.x toolkit
Ožbot, Žan
2017-01-01
Web and mobile applications consist of real-time events of different kinds in order to ensure the best possible user experience. To develop such applications, proper tools are needed and reactive programming is one of the possible solutions. Due to its many advantages, reactive programming is becoming an increasing reason to abandon standard object-oriented approach. Therefore, in this thesis we first describe the concepts of reactive programming and compare it to object-oriented programming....
Singh, Rajveer; Sivaguru, Mayandi; Fried, Glenn A; Fouke, Bruce W; Sanford, Robert A; Carrera, Martin; Werth, Charles J
2017-09-01
Physical, chemical, and biological interactions between groundwater and sedimentary rock directly control the fundamental subsurface properties such as porosity, permeability, and flow. This is true for a variety of subsurface scenarios, ranging from shallow groundwater aquifers to deeply buried hydrocarbon reservoirs. Microfluidic flow cells are now commonly being used to study these processes at the pore scale in simplified pore structures meant to mimic subsurface reservoirs. However, these micromodels are typically fabricated from glass, silicon, or polydimethylsiloxane (PDMS), and are therefore incapable of replicating the geochemical reactivity and complex three-dimensional pore networks present in subsurface lithologies. To address these limitations, we developed a new microfluidic experimental test bed, herein called the Real Rock-Microfluidic Flow Cell (RR-MFC). A porous 500μm-thick real rock sample of the Clair Group sandstone from a subsurface hydrocarbon reservoir of the North Sea was prepared and mounted inside a PDMS microfluidic channel, creating a dynamic flow-through experimental platform for real-time tracking of subsurface reactive transport. Transmitted and reflected microscopy, cathodoluminescence microscopy, Raman spectroscopy, and confocal laser microscopy techniques were used to (1) determine the mineralogy, geochemistry, and pore networks within the sandstone inserted in the RR-MFC, (2) analyze non-reactive tracer breakthrough in two- and (depth-limited) three-dimensions, and (3) characterize multiphase flow. The RR-MFC is the first microfluidic experimental platform that allows direct visualization of flow and transport in the pore space of a real subsurface reservoir rock sample, and holds potential to advance our understandings of reactive transport and other subsurface processes relevant to pollutant transport and cleanup in groundwater, as well as energy recovery. Copyright © 2017 Elsevier B.V. All rights reserved.
Reactive physical vapor deposition of TixAlyN: Integrated plasma-surface modeling characterization
International Nuclear Information System (INIS)
Zhang Da; Schaeffer, J.K.
2004-01-01
Reactive physical vapor deposition (RPVD) has been widely applied in the microelectronic industry for producing thin films. Fundamental understanding of RPVD mechanisms is needed for successful process development due to the high sensitivity of film properties on process conditions. An integrated plasma equipment-target nitridation modeling infrastructure for RPVD has therefore been developed to provide mechanistic insights and assist optimal process design. The target nitridation model computes target nitride coverage based on self-consistently derived plasma characteristics from the plasma equipment model; target sputter yields needed in the plasma equipment model are also self-consistently derived taking into account the yield-suppressing effect from nitridation. The integrated modeling infrastructure has been applied to investigating RPVD processing with a Ti 0.8 Al 0.2 compound target and an Ar/N 2 gas supply. It has been found that the process produces athermal metal neutrals as the primary deposition precursor. The metal stoichiometry in the deposited film is close to the target composition due to the predominance of athermal species in the flux that reaches the substrate. Correlations between process parameters (N 2 flow, target power), plasma characteristics, surface conditions, and deposition kinetics have been studied with the model. The deposition process is characterized by two regimes when the N 2 flow rate is varied. When N 2 is dilute relative to argon, target nitride coverage increases rapidly with increasing N 2 flow. The sputter yield and deposition rate consequently decrease. For less dilute N 2 mixtures, the sputter yield and deposition rate are stable due to the saturation of target nitridation. With increasing target power, the electron density increases nearly linearly while the variation of N generation is much smaller. Target nitridation and its suppression of the sputter yield saturate at high N 2 flow rendering these parameters
Intercomparison of reactive transport models applied to degradation of a concrete / clay interface
International Nuclear Information System (INIS)
Burnol, A.; Blanc, P.; Tournassat, C.; Lassin, A.; Gaucher, E.C.
2005-01-01
's guide to PHREEQC (version 2) U.S. Geological Survey, Water-Resources Investigations. Report 99-4259, 312 p.; [3] Parkhurst D.L, Kipp K.L., Engesgaard P. (2002) - PHAST a program for simulating groundwater flow and multicomponent reactions. User's guide. http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phast; [4] Xu, T., Pruess, K. (1998). Coupled modeling of non-isothermal multiphase flow, solute transport and reactive chemistry in porous and fractured media: 1. Model development and validation. LBNL-42050, Berkeley, California. [5] Gaucher E., Blanc Ph., Matray J.M., Michau N., (2004).Applied Geochemistry, 19, 1505-1515. (authors)
Modeling subsurface reactive flows using leadership-class computing
Energy Technology Data Exchange (ETDEWEB)
Mills, Richard Tran [Computational Earth Sciences Group, Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6015 (United States); Hammond, Glenn E [Hydrology Group, Environmental Technology Division, Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Lichtner, Peter C [Hydrology, Geochemistry, and Geology Group, Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Sripathi, Vamsi [Department of Computer Science, North Carolina State University, Raleigh, NC 27695-8206 (United States); Mahinthakumar, G [Department of Civil, Construction, and Environmental Engineering, North Carolina State University, Raleigh, NC 27695-7908 (United States); Smith, Barry F, E-mail: rmills@ornl.go, E-mail: glenn.hammond@pnl.go, E-mail: lichtner@lanl.go, E-mail: vamsi_s@ncsu.ed, E-mail: gmkumar@ncsu.ed, E-mail: bsmith@mcs.anl.go [Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, IL 60439-4844 (United States)
2009-07-01
We describe our experiences running PFLOTRAN-a code for simulation of coupled hydro-thermal-chemical processes in variably saturated, non-isothermal, porous media- on leadership-class supercomputers, including initial experiences running on the petaflop incarnation of Jaguar, the Cray XT5 at the National Center for Computational Sciences at Oak Ridge National Laboratory. PFLOTRAN utilizes fully implicit time-stepping and is built on top of the Portable, Extensible Toolkit for Scientific Computation (PETSc). We discuss some of the hurdles to 'at scale' performance with PFLOTRAN and the progress we have made in overcoming them on leadership-class computer architectures.
Modeling subsurface reactive flows using leadership-class computing
International Nuclear Information System (INIS)
Mills, Richard Tran; Hammond, Glenn E; Lichtner, Peter C; Sripathi, Vamsi; Mahinthakumar, G; Smith, Barry F
2009-01-01
We describe our experiences running PFLOTRAN-a code for simulation of coupled hydro-thermal-chemical processes in variably saturated, non-isothermal, porous media- on leadership-class supercomputers, including initial experiences running on the petaflop incarnation of Jaguar, the Cray XT5 at the National Center for Computational Sciences at Oak Ridge National Laboratory. PFLOTRAN utilizes fully implicit time-stepping and is built on top of the Portable, Extensible Toolkit for Scientific Computation (PETSc). We discuss some of the hurdles to 'at scale' performance with PFLOTRAN and the progress we have made in overcoming them on leadership-class computer architectures.
Dual-Quantum-Dots-Labeled Lateral Flow Strip Rapidly Quantifies Procalcitonin and C-reactive Protein
Qi, XiaoPing; Huang, YunYe; Lin, ZhongShi; Xu, Liang; Yu, Hao
2016-03-01
In the article, a dual-quantum-dots-labeled (dual-QDs-labeled) lateral flow strip (LFS) method was developed for the simultaneous and rapid quantitative detection of procalcitonin (PCT) and C-reactive protein (CRP) in the blood. Two QD-antibody conjugates with different fluorescence emission spectra were produced and sprayed on the LFS to capture PCT and CRP in the blood. Furthermore, a double antibody sandwich method for PCT and, meanwhile, a competitive inhibition method for CRP were employed in the LFS. For PCT and CRP in serum assayed by the dual-QDs-labeled LFS, their detection sensitivities reached 0.1 and 1 ng/mL, respectively, and their linear quantitative detection ranges were from 0.3 to 200 ng/mL and from 50 to 250 μg/mL, respectively. There was little evidence that the PCT and CRP assays would be interfered with each other. The correlations for testing CRP and PCT in clinical samples were 99.75 and 97.02 %, respectively, between the dual-QDs-labeled LFS we developed and commercial methods. The rapid quantification of PCT and CRP on dual-QDs-labeled LFS is of great clinical value to distinguish inflammation, bacterial infection, or viral infection and to provide guidance for the use of antibiotics or other medicines.
Regression modeling of ground-water flow
Cooley, R.L.; Naff, R.L.
1985-01-01
Nonlinear multiple regression methods are developed to model and analyze groundwater flow systems. Complete descriptions of regression methodology as applied to groundwater flow models allow scientists and engineers engaged in flow modeling to apply the methods to a wide range of problems. Organization of the text proceeds from an introduction that discusses the general topic of groundwater flow modeling, to a review of basic statistics necessary to properly apply regression techniques, and then to the main topic: exposition and use of linear and nonlinear regression to model groundwater flow. Statistical procedures are given to analyze and use the regression models. A number of exercises and answers are included to exercise the student on nearly all the methods that are presented for modeling and statistical analysis. Three computer programs implement the more complex methods. These three are a general two-dimensional, steady-state regression model for flow in an anisotropic, heterogeneous porous medium, a program to calculate a measure of model nonlinearity with respect to the regression parameters, and a program to analyze model errors in computed dependent variables such as hydraulic head. (USGS)
Montmorillonite dissolution kinetics: Experimental and reactive transport modeling interpretation
Cappelli, Chiara; Yokoyama, Shingo; Cama, Jordi; Huertas, F. Javier
2018-04-01
The dissolution kinetics of K-montmorillonite was studied at 25 °C, acidic pH (2-4) and 0.01 M ionic strength by means of well-mixed flow-through experiments. The variations of Si, Al and Mg over time resulted in high releases of Si and Mg and Al deficit, which yielded long periods of incongruent dissolution before reaching stoichiometric steady state. This behavior was caused by simultaneous dissolution of nanoparticles and cation exchange between the interlayer K and released Ca, Mg and Al and H. Since Si was only involved in the dissolution reaction, it was used to calculate steady-state dissolution rates, RSi, over a wide solution saturation state (ΔGr ranged from -5 to -40 kcal mol-1). The effects of pH and the degree of undersaturation (ΔGr) on the K-montmorillonite dissolution rate were determined using RSi. Employing dissolution rates farthest from equilibrium, the catalytic pH effect on the K-montmorillonite dissolution rate was expressed as Rdiss = k·aH0.56±0.05 whereas using all dissolution rates, the ΔGr effect was expressed as a non-linear f(ΔGr) function Rdiss = k · [1 - exp(-3.8 × 10-4 · (|ΔGr|/RT)2.13)] The functionality of this expression is similar to the equations reported for dissolution of Na-montmorillonite at pH 3 and 50 °C (Metz, 2001) and Na-K-Ca-montmorillonite at pH 9 and 80 °C (Cama et al., 2000; Marty et al., 2011), which lends support to the use of a single f(ΔGr) term to calculate the rate over the pH range 0-14. Thus, we propose a rate law that also accounts for the effect of pOH and temperature by using the pOH-rate dependence and the apparent activation energy proposed by Rozalén et al. (2008) and Amram and Ganor (2005), respectively, and normalizing the dissolution rate constant with the edge surface area of the K-montmorillonite. 1D reactive transport simulations of the experimental data were performed using the Crunchflow code (Steefel et al., 2015) to quantitatively interpret the evolution of the released cations
Modeling Submarine Lava Flow with ASPECT
Storvick, E. R.; Lu, H.; Choi, E.
2017-12-01
Submarine lava flow is not easily observed and experimented on due to limited accessibility and challenges posed by the fast solidification of lava and the associated drastic changes in rheology. However, recent advances in numerical modeling techniques might address some of these challenges and provide unprecedented insight into the mechanics of submarine lava flow and conditions determining its wide-ranging morphologies. In this study, we explore the applicability ASPECT, Advanced Solver for Problems in Earth's ConvecTion, to submarine lava flow. ASPECT is a parallel finite element code that solves problems of thermal convection in the Earth's mantle. We will assess ASPECT's capability to model submarine lava flow by observing models of lava flow morphology simulated with GALE, a long-term tectonics finite element analysis code, with models created using comparable settings and parameters in ASPECT. From these observations we will contrast the differing models in order to identify the benefits of each code. While doing so, we anticipate we will learn about the conditions required for end-members of lava flow morphology, for example, pillows and sheet flows. With ASPECT specifically we focus on 1) whether the lava rheology can be implemented; 2) how effective the AMR is in resolving morphologies of the solidified crust; 3) whether and under what conditions the end-members of the lava flow morphologies, pillows and sheets, can be reproduced.
Reactive transport modeling of nitrogen in Seine River sediments
Akbarzadeh, Z.; Laverman, A.; Raimonet, M.; Rezanezhad, F.; Van Cappellen, P.
2016-02-01
Biogeochemical processes in sediments have a major impact on the fate and transport of nitrogen (N) in river systems. Organic matter decomposition in bottom sediments releases inorganic N species back to the stream water, while denitrification, anammox and burial of organic matter remove bioavailable N from the aquatic environment. To simulate N cycling in river sediments, a multi-component reactive transport model has been developed in MATLAB®. The model includes 3 pools of particulate organic N, plus pore water nitrate, nitrite, nitrous oxide and ammonium. Special attention is given to the production and consumption of nitrite, a N species often neglected in early diagenetic models. Although nitrite is usually considered to be short-lived, elevated nitrite concentrations have been observed in freshwater streams, raising concerns about possible toxic effects. We applied the model to sediment data sets collected at two locations in the Seine River, one upstream, the other downstream, of the largest wastewater treatment plant (WWTP) of the Paris conurbation. The model is able to reproduce the key features of the observed pore water depth profiles of the different nitrogen species. The modeling results show that the presence of oxygen in the overlying water plays a major role in controlling the exchanges of nitrite between the sediments and the stream water. In August 2012, sediments upstream of the WWTP switch from being a sink to a source of nitrite as the overlying water becomes anoxic. Downstream sediments remain a nitrite sink in oxic and anoxic conditions. Anoxic bottom waters at the upstream location promote denitrification, which produces nitrite, while at the downstream site, anammox and DNRA are important removal processes of nitrite.
Energy Technology Data Exchange (ETDEWEB)
Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin
2004-01-28
Concentrated aqueous solutions (CAS) have unique thermodynamic and physical properties. Chemical components in CAS are incompletely dissociated, especially those containing divalent or polyvalent ions. The problem is further complicated by the interaction between CAS flow processes and the naturally heterogeneous sediments. As the CAS migrates through the porous media, the composition may be altered subject to fluid-rock interactions. To effectively model reactive transport of CAS, we must take into account ion-interaction. A combination of the Pitzer ion-interaction and the ion-association model would be an appropriate way to deal with multiple-component systems if the Pitzer' parameters and thermodynamic data of dissolved components and the related minerals are available. To quantify the complicated coupling of CAS flow and transport, as well as the involved chemical reactions in natural and engineered systems, we have substantially extended an existing reactive biogeochemical transport code, BIO-CORE{sup 2D}{copyright}, by incorporating a comprehensive Pitzer ion-interaction model. In the present paper, the model, and two test cases against measured data were briefly introduced. Finally we present an application to simulate a laboratory column experiment studying the leakage of the high alkaline waste fluid stored in Hanford (a site of the U.S. Department of Energy, located in Washington State, USA). With the Pitzer ion-interaction ionic activity model, our simulation captures measured pH evolution. The simulation indicates that all the reactions controlling the pH evolution, including cation exchanges, mineral precipitation and dissolution, are coupled.
International Nuclear Information System (INIS)
Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C.; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M.; Watson, David B.
2007-01-01
This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M. partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M. species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions
Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B
2007-06-16
This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.
Incorporating groundwater flow into the WEPP model
William Elliot; Erin Brooks; Tim Link; Sue Miller
2010-01-01
The water erosion prediction project (WEPP) model is a physically-based hydrology and erosion model. In recent years, the hydrology prediction within the model has been improved for forest watershed modeling by incorporating shallow lateral flow into watershed runoff prediction. This has greatly improved WEPP's hydrologic performance on small watersheds with...
Mathematical modelling of two-phase flows
International Nuclear Information System (INIS)
Komen, E.M.J.; Stoop, P.M.
1992-11-01
A gradual shift from methods based on experimental correlations to methods based on mathematical models to study 2-phase flows can be observed. The latter can be used to predict dynamical behaviour of 2-phase flows. This report discusses various mathematical models for the description of 2-phase flows. An important application of these models can be found in thermal-hydraulic computer codes used for analysis of the thermal-hydraulic behaviour of water cooled nuclear power plants. (author). 17 refs., 7 figs., 6 tabs
DEFF Research Database (Denmark)
Postma, Diederik Jan; Larsen, Flemming; Hue, N.T.M.
2007-01-01
The mobilization of arsenic (As) to the groundwater was studied in a shallow Holocene aquifer on the Red River flood plain near Hanoi, Vietnam. The groundwater chemistry was investigated in a transect of 100 piezometers. Results show an anoxic aquifer featuring organic carbon decomposition......(III) but some As(V) is always found. Arsenic correlates well with NH4, relating its release to organic matter decomposition and the source of As appears to be the Fe-oxides being reduced. Part of the produced Fe(II) is apparently reprecipitated as siderite containing less As. Results from sediment extraction...... chemistry over depth is homogeneous and a reactive transport model was constructed to quantify the geochemical processes along the vertical groundwater flow component. A redox zonation model was constructed using the partial equilibrium approach with organic carbon degradation in the sediment as the only...
Reactive magnetron sputtering model at making Ti-TiOx coatings
International Nuclear Information System (INIS)
Luchkin, A G; Kashapov, N F
2014-01-01
Mathematical model of reactive magnetron sputtering for plant VU 700-D is described. Approximating curves for experimental current-voltage characteristic for two gas input schemas are shown. Choice of gas input schema influences on model parameters (mainly on pumping speed). Reactive magnetron sputtering model allows develop technology of Ti - TiO x coatings deposition without changing atmosphere and pressure in vacuum chamber
International Nuclear Information System (INIS)
Fischer, D.
1990-01-01
The reactive o-quinodimethanes, 1,2-dimethylene-1,2-dihydronaphthalene (9) and o-xylylene (1) were observed by flow 1 H NMR spectroscopy at room temperature. The 1 H NMR spectrum of 9 was obtained in the absence of precursor and dimers. However, the 1 H NMR spectrum of the more reactive 1, generated in a similar manner from [o-((trimethylsilyl)methyl)benzyl]trimethylammonium iodide (5.) could be obtained only in the presence of its stable [4 + 2] and [4 + 4] dimers. The dimerization kinetics of 3-methyl- (5'), 3,6-dimethyl- (11), 3-isopropyl- (12), and 3,6-diisoproply-1,2-xylylene (13) in acetonitrile (CH 3 CN) were studied by stopped-flow UV-visible spectroscopy. Fluoride ion induced 1,2-elimination from 2-elimination from 2-trimethylsilylbenzocyclobutenyl-1 mesylate (26) was used to generate the reactive molecule benzocyclobutadiene (1') in CD 3 CN, which was observed by flow 1 H NMR spectroscopy at room temperature. The 1 H NMR spectrum (in CD 3 CN) of 1,2-dimethylene-1,2-dihydrothiophene (1 double-prime), obtained by fluoride ion induced 1,4-elimination from 3-(trimethylammoniummethyl)-2-(trimethylsilylmethyl)thiophene iodine was observed by flow 1 H NMR spectroscopy at room temperature. The dimerization rate of 1 double-prime in CH 3 CN, generated in the same manner, was measured by UV-visible spectroscopy. 166 refs., 7 figs., 7 tabs
Sibra, A.; Dupays, J.; Murrone, A.; Laurent, F.; Massot, M.
2017-06-01
In this paper, we tackle the issue of the accurate simulation of evaporating and reactive polydisperse sprays strongly coupled to unsteady gaseous flows. In solid propulsion, aluminum particles are included in the propellant to improve the global performances but the distributed combustion of these droplets in the chamber is suspected to be a driving mechanism of hydrodynamic and acoustic instabilities. The faithful prediction of two-phase interactions is a determining step for future solid rocket motor optimization. When looking at saving computational ressources as required for industrial applications, performing reliable simulations of two-phase flow instabilities appears as a challenge for both modeling and scientific computing. The size polydispersity, which conditions the droplet dynamics, is a key parameter that has to be accounted for. For moderately dense sprays, a kinetic approach based on a statistical point of view is particularly appropriate. The spray is described by a number density function and its evolution follows a Williams-Boltzmann transport equation. To solve it, we use Eulerian Multi-Fluid methods, based on a continuous discretization of the size phase space into sections, which offer an accurate treatment of the polydispersion. The objective of this paper is threefold: first to derive a new Two Size Moment Multi-Fluid model that is able to tackle evaporating polydisperse sprays at low cost while accurately describing the main driving mechanisms, second to develop a dedicated evaporation scheme to treat simultaneously mass, moment and energy exchanges with the gas and between the sections. Finally, to design a time splitting operator strategy respecting both reactive two-phase flow physics and cost/accuracy ratio required for industrial computations. Using a research code, we provide 0D validations of the new scheme before assessing the splitting technique's ability on a reference two-phase flow acoustic case. Implemented in the industrial
Modeling reactive transport with particle tracking and kernel estimators
Rahbaralam, Maryam; Fernandez-Garcia, Daniel; Sanchez-Vila, Xavier
2015-04-01
Groundwater reactive transport models are useful to assess and quantify the fate and transport of contaminants in subsurface media and are an essential tool for the analysis of coupled physical, chemical, and biological processes in Earth Systems. Particle Tracking Method (PTM) provides a computationally efficient and adaptable approach to solve the solute transport partial differential equation. On a molecular level, chemical reactions are the result of collisions, combinations, and/or decay of different species. For a well-mixed system, the chem- ical reactions are controlled by the classical thermodynamic rate coefficient. Each of these actions occurs with some probability that is a function of solute concentrations. PTM is based on considering that each particle actually represents a group of molecules. To properly simulate this system, an infinite number of particles is required, which is computationally unfeasible. On the other hand, a finite number of particles lead to a poor-mixed system which is limited by diffusion. Recent works have used this effect to actually model incomplete mix- ing in naturally occurring porous media. In this work, we demonstrate that this effect in most cases should be attributed to a defficient estimation of the concentrations and not to the occurrence of true incomplete mixing processes in porous media. To illustrate this, we show that a Kernel Density Estimation (KDE) of the concentrations can approach the well-mixed solution with a limited number of particles. KDEs provide weighting functions of each particle mass that expands its region of influence, hence providing a wider region for chemical reactions with time. Simulation results show that KDEs are powerful tools to improve state-of-the-art simulations of chemical reactions and indicates that incomplete mixing in diluted systems should be modeled based on alternative conceptual models and not on a limited number of particles.
Integrated soft sensor model for flow control.
Aijälä, G; Lumley, D
2006-01-01
Tighter discharge permits often require wastewater treatment plants to maximize utilization of available facilities in order to cost-effectively reach these goals. Important aspects are minimizing internal disturbances and using available information in a smart way to improve plant performance. In this study, flow control throughout a large highly automated wastewater treatment plant (WWTP) was implemented in order to reduce internal disturbances and to provide a firm foundation for more advanced process control. A modular flow control system was constructed based on existing instrumentation and soft sensor flow models. Modules were constructed for every unit process in water treatment and integrated into a plant-wide model. The flow control system is used to automatically control recirculation flows and bypass flows at the plant. The system was also successful in making accurate flow estimations at points in the plant where it is not possible to have conventional flow meter instrumentation. The system provides fault detection for physical flow measuring devices. The module construction allows easy adaptation for new unit processes added to the treatment plant.
International Nuclear Information System (INIS)
Ayora, C.; Taberner, C.; Samper, J.
1994-01-01
The replacement of dolomite with calcite (dedolomization) has been analyzed by means of two numerical models of reactive transport. The results of successive calculations under different scenarios have been compared with the observations made on the dedolomites developed on the Triassic strata from Prades (Tarragona, Spain). The model based on the local equilibrium assumption for water-rock interaction does not predict the development of the porosity associated to the replacement. The model based on kinetic laws for mineral dissolution and precipitation does predict the observed proportions of calcite, dolomite and porosity. The result of modeling under kinetic laws is sensitive to parameters such as the flow velocity, the chemical composition of the recharge water and the reactive surface of the minerals. The replacement and associated porosity is only formed for infiltration flows higher than 100 mm/year. The water has a neutral to slightly alkaline pH, far from equilibrium with carbonates and the atmosphere. The calcium concentrations must be one order of magnitude higher the average of surficial waters, probably due to sulfate dissolution. The reactive surface of dolomite has been estimated from a simple geometric model of fractures, whereas that of calcite has been inferred from calculations based on nucleation and crystal growth theory. The reactive surface of calcite appears to be several orders of magnitude lower than that of dolomite, in agreement with what is required for reactive transport calculations to generate porosity. The dedolomization and associated porosity takes place in the first meter of aquifers, whereas downstream the replacement vanishes and does not create porosity
Modeling of two-phase slug flow
International Nuclear Information System (INIS)
Fabre, J.; Line, A.
1992-01-01
When gas and liquid flow in a pipe, over a range of flow rates, a flow pattern results in which sequences of long bubbles, almost filling the pipe cross section, are successively followed by liquid slugs that may contain small bubbles. This flow pattern, usually called slug flow, is encountered in numerous practical situations, such as in the production of hydrocarbons in wells and their transportation in pipelines; the production of steam and water in geothermal power plants; the boiling and condensation in liquid-vapor systems of thermal power plants; emergency core cooling of nuclear reactors; heat and mass transfer between gas and liquid in chemical reactors. This paper provides a review of two phase slug flow modeling
Flow model study of 'Monju' reactor vessel
International Nuclear Information System (INIS)
Miyaguchi, Kimihide
1980-01-01
In the case of designing the structures in nuclear reactors, various problems to be considered regarding thermo-hydrodynamics exist, such as the distribution of flow quantity and the pressure loss in reactors and the thermal shock to inlet and outlet nozzles. In order to grasp the flow characteristics of coolant in reactors, the 1/2 scale model of the reactor structure of ''Monju'' was attached to the water flow testing facility in the Oarai Engineering Center, and the simulation experiment has been carried out. The flow characteristics in reactors clarified by experiment and analysis so far are the distribution of flow quantity between high and low pressure regions in reactors, the distribution of flow quantity among flow zones in respective regions of high and low pressure, the pressure loss in respective parts in reactors, the flow pattern and the mixing effect of coolant in upper and lower plenums, the effect of the twisting angle of inlet nozzles on the flow characteristics in lower plenums, the effect of internal cylinders on the flow characteristics in upper plenums and so on. On the basis of these test results, the improvement of the design of structures in reactors was made, and the confirmation test on the improved structures was carried out. The testing method, the calculation method, the test results and the reflection to the design of actual machines are described. (Kako, I.)
NUMERICAL SIMULATION AND MODELING OF UNSTEADY FLOW ...
African Journals Online (AJOL)
2014-06-30
Jun 30, 2014 ... objective of this study is to control the simulation of unsteady flows around structures. ... Aerospace, our results were in good agreement with experimental .... Two-Equation Eddy-Viscosity Turbulence Models for Engineering.
Base Flow Model Validation, Phase II
National Aeronautics and Space Administration — The program focuses on turbulence modeling enhancements for predicting high-speed rocket base flows. A key component of the effort is the collection of high-fidelity...
Numerical models of groundwater flow and transport
International Nuclear Information System (INIS)
Konikow, L.F.
1996-01-01
This chapter reviews the state-of-the-art in deterministic modeling of groundwater flow and transport processes, which can be used for interpretation of isotope data through groundwater flow analyses. Numerical models which are available for this purpose are described and their applications to complex field problems are discussed. The theoretical bases of deterministic modeling are summarized, and advantages and limitations of numerical models are described. The selection of models for specific applications and their calibration procedures are described, and results of a few illustrative case study type applications are provided. (author). 145 refs, 17 figs, 2 tabs
Numerical models of groundwater flow and transport
Energy Technology Data Exchange (ETDEWEB)
Konikow, L F [Geological Survey, Reston, VA (United States)
1996-10-01
This chapter reviews the state-of-the-art in deterministic modeling of groundwater flow and transport processes, which can be used for interpretation of isotope data through groundwater flow analyses. Numerical models which are available for this purpose are described and their applications to complex field problems are discussed. The theoretical bases of deterministic modeling are summarized, and advantages and limitations of numerical models are described. The selection of models for specific applications and their calibration procedures are described, and results of a few illustrative case study type applications are provided. (author). 145 refs, 17 figs, 2 tabs.
Improved choked flow model for MARS code
International Nuclear Information System (INIS)
Chung, Moon Sun; Lee, Won Jae; Ha, Kwi Seok; Hwang, Moon Kyu
2002-01-01
Choked flow calculation is improved by using a new sound speed criterion for bubbly flow that is derived by the characteristic analysis of hyperbolic two-fluid model. This model was based on the notion of surface tension for the interfacial pressure jump terms in the momentum equations. Real eigenvalues obtained as the closed-form solution of characteristic polynomial represent the sound speed in the bubbly flow regime that agrees well with the existing experimental data. The present sound speed shows more reasonable result in the extreme case than the Nguyens did. The present choked flow criterion derived by the present sound speed is employed in the MARS code and assessed by using the Marviken choked flow tests. The assessment results without any adjustment made by some discharge coefficients demonstrate more accurate predictions of choked flow rate in the bubbly flow regime than those of the earlier choked flow calculations. By calculating the Typical PWR (SBLOCA) problem, we make sure that the present model can reproduce the reasonable transients of integral reactor system
Modeling groundwater flow and quality
Konikow, Leonard F.; Glynn, Pierre D.; Selinus, Olle
2013-01-01
In most areas, rocks in the subsurface are saturated with water at relatively shallow depths. The top of the saturated zone—the water table—typically occurs anywhere from just below land surface to hundreds of feet below the land surface. Groundwater generally fills all pore spaces below the water table and is part of a continuous dynamic flow system, in which the fluid is moving at velocities ranging from feet per millennia to feet per day (Fig. 33.1). While the water is in close contact with the surfaces of various minerals in the rock material, geochemical interactions between the water and the rock can affect the chemical quality of the water, including pH, dissolved solids composition, and trace-elements content. Thus, flowing groundwater is a major mechanism for the transport of chemicals from buried rocks to the accessible environment, as well as a major pathway from rocks to human exposure and consumption. Because the mineral composition of rocks is highly variable, as is the solubility of various minerals, the human-health effects of groundwater consumption will be highly variable.
Cirpka, O. A.; Loschko, M.; Wöhling, T.; Rudolph, D. L.
2017-12-01
Excess nitrate concentrations pose a threat to drinking-water production from groundwater in all regions of intensive agriculture worldwide. Natural organic matter, pyrite, and other reduced constituents of the aquifer matrix can be oxidized by aerobic and denitrifying bacteria, leading to self-cleaning of groundwater. Various studies have shown that the heterogeneity of both hydraulic and chemical aquifer properties influence the reactive behavior. Since the exact spatial distributions of these properties are not known, predictions on the temporal evolution of nitrate should be probabilistic. However, the computational effort of pde-based, spatially explicit multi-component reactive-transport simulations are so high that multiple model runs become impossible. Conversely, simplistic models that treat denitrification as first-order decay process miss important controls on denitrification. We have proposed a Lagrangian framework of nonlinear reactive transport, in which the electron-donor supply by the aquifer matrix is parameterized by a relative reactivity, that is the reaction rate relative to a standard reaction rate for identical solute concentrations (Loschko et al., 2016). We could show that reactive transport simplifies to solving a single ordinary dfferential equation in terms of the cumulative relative reactivity for a given combination of inflow concentrations. Simulating 3-D flow and reactive transport are computationally so inexpensive that Monte Carlo simulation become feasible. The original scheme did not consider a change of the relative reactivity over time, implying that the electron-donor pool in the matrix is infinite. We have modified the scheme to address the consumption of the reducing aquifer constituents upon the reactions. We also analyzed how a minimally complex model of aerobic respiration and denitrification could look like. With the revised scheme, we performed Monte Carlo simulations in 3-D domains, confirming that the uncertainty in
Modelling of Emulsion Flow in Porous Media
Energy Technology Data Exchange (ETDEWEB)
Abou-Kassem, J.H. [UAE University (United Arab Emirates); Farouq Ali, S.M. [UAE University (United Arab Emirates)
1995-06-01
Oil recovery methods predominantly involve emulsion formation. Oil recovery simulation requires the incorporation of emulsion characteristics and flow in porous media, in order to optimize oil recovery from petroleum reservoirs. This paper explored the nature and rheology of emulsions, and evaluated several models of flow of Newtonian and non-Newtonian fluids in porous media. It also summarized in situ emulsion formation in porous media. A model for both Newtonian and non-Newtonian emulsion fluid flow was proposed, with special emphasis on pore size, and tortuosity in the porous media.
Modelling and control of systems with flow
van Mourik, S.
2008-01-01
In practice, feedback control design consists of three steps: modelling, model reduction and controller design for the reduced model. Systems with flow are often complicated, and there is yet no standard algorithm that integrates these steps. In this thesis we make a modest effort by considering two
Amendment to Validated dynamic flow model
DEFF Research Database (Denmark)
Knudsen, Torben
2011-01-01
The purpose of WP2 is to establish flow models relating the wind speed at turbines in a farm. Until now, active control of power reference has not been included in these models as only data with standard operation has been available. In this report the first data series with power reference excit...... turbine in undisturbed flow. For this data set both the multiplicative model and in particular the simple first order transfer function model can predict the down wind wind speed from upwind wind speed and loading.......The purpose of WP2 is to establish flow models relating the wind speed at turbines in a farm. Until now, active control of power reference has not been included in these models as only data with standard operation has been available. In this report the first data series with power reference...
Acid groundwater in an anoxic aquifer: Reactive transport modelling of buffering processes
International Nuclear Information System (INIS)
Franken, Gudrun; Postma, Dieke; Duijnisveld, Wilhelmus H.M.; Boettcher, Juergen; Molson, John
2009-01-01
The acidification of groundwater, due to acid rain, was investigated in a Quaternary sandy aquifer in the Fuhrberger Feld, near Hannover, Germany. The groundwater, recharged through an area covered by a coniferous forest, had a pH in the range 4-5 down to a depth of 5 m. The evolution in groundwater chemistry along the flow path was investigated in a transect of multisamplers. A 2D groundwater flow model was established delineating the groundwater flow field and a groundwater flow velocity of around 80 m/a along the flow path was derived. Speciation calculations showed the groundwater to be close to equilibrium with the mineral jurbanite (AlOHSO 4 ) over the pH range 4.0-6.5. This suggests an accumulation of acid rain derived SO 4 2- in the aquifer sediment during the decades with high atmospheric S deposition. The groundwater has a pH of around 4.5 in the upstream part of the flow path increasing to near 6 further downstream. 1D reactive transport modelling, using PHREEQC, was used to analyze different combinations of buffering processes. The first model contains ion exchange in combination with jurbanite dissolution. At the ion exchange front Al 3+ is adsorbed leading to the dissolution of jurbanite and an increase in pH. Comparison with field data showed that the simulated increases in pH and alkalinity are much lower than observed in the field. The second model includes organic matter degradation. In addition to ion exchange and jurbanite dissolution, the model included the reduction of SO 4 2- and Fe-oxides as well as the precipitation of Fe sulfide. This model matches the field data well and illustrates the importance of redox processes for pH buffering in the Fuhrberg aquifer. The current progress of the acidification front is about 4 m/a. This corresponds to an average value of 150 a of acid input, which covers large historical variations. Remediation is expected to take the same time span because it requires desorption and neutralization of adsorbed Al 3
DEFF Research Database (Denmark)
Zhou, Dao; Blaabjerg, Frede; Lau, Mogens
2015-01-01
. In order to fulfill the modern grid codes, over-excited reactive power injection will further reduce the lifetime of the rotor-side converter. In this paper, the additional stress of the power semiconductor due to the reactive power injection is firstly evaluated in terms of modulation index...
Energy Technology Data Exchange (ETDEWEB)
Carrington, David Bradley [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Waters, Jiajia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-09-26
Research and development of KIVA-hpFE for turbulent reactive and multiphase flow particularly as related to engine modeling program has relevance to National energy security and climate change. Climate change is a source problem, and energy national security is consumption of petroleum products problem. Accurately predicting engine processes leads to, lower greenhouse gas (GHG) emission, where engines in the transportation sector currently account for 26% of the U.S. GHG emissions. Less dependence on petroleum products leads to greater energy security. By Environmental Protection Agency standards, some vehicles are now reaching 42 to the 50 mpg mark. These are conventional gasoline engines. Continued investment and research into new technical innovations, the potential exists to save more than 4 million barrels of oil per day or approximately $200 to $400 million per day. This would be a significant decrease in emission and use of petroleum and a very large economic stimulus too! It is estimated with further advancements in combustion, the current emissions can be reduced up to 40%. Enabling better understanding of fuel injection and fuel-air mixing, thermodynamic combustion losses, and combustion/emission formation processes enhances our ability to help solve both problems. To provide adequate capability for accurately simulating these processes, minimize time and labor for development of engine technology, are the goals of our KIVA development program.
Tracer technology modeling the flow of fluids
Levenspiel, Octave
2012-01-01
A vessel’s behavior as a heat exchanger, absorber, reactor, or other process unit is dependent upon how fluid flows through the vessel. In early engineering, the designer would assume either plug flow or mixed flow of the fluid through the vessel. However, these assumptions were oftentimes inaccurate, sometimes being off by a volume factor of 100 or more. The result of this unreliable figure produced ineffective products in multiple reaction systems. Written by a pioneering researcher in the field of chemical engineering, the tracer method was introduced to provide more accurate flow data. First, the tracer method measured the actual flow of fluid through a vessel. Second, it developed a suitable model to represent the flow in question. Such models are used to follow the flow of fluid in chemical reactors and other process units, like in rivers and streams, or solid and porous structures. In medicine, the tracer method is used to study the flow of chemicals—harmful and harmless—in the...
Hypervapotron flow testing with rapid prototype models
International Nuclear Information System (INIS)
Driemeyer, D.; Hellwig, T.; Kubik, D.; Langenderfer, E.; Mantz, H.; McSmith, M.; Jones, B.; Butler, J.
1995-01-01
A flow test model of the inlet section of a three channel hypervapotron plate that has been proposed as a heat sink in the ITER divertor was prepared using a rapid prototyping stereolithography process that is widely used for component development in US industry. An existing water flow loop at the University of Illinois is being used for isothermal flow tests to collect pressure drop data for comparison with proposed vapotron friction factor correlations. Differential pressure measurements are taken, across the test section inlet manifold, the vapotron channel (about a seven inch length), the outlet manifold and the inlet-to-outlet. The differential pressures are currently measured with manometers. Tests were conducted at flow velocities from 1--10 m/s to cover the full range of ITER interest. A tap was also added for a small hypodermic needle to inject dye into the flow channel at several positions to examine the nature of the developing flow field at the entrance to the vapotron section. Follow-on flow tests are planned using a model with adjustable flow channel dimensions to permit more extensive pressure drop data to be collected. This information will be used to update vapotron design correlations for ITER
Flow of chemically reactive magneto Cross nanoliquid with temperature-dependent conductivity
Hayat, Tasawar; Ullah, Ikram; Waqas, Muhammad; Alsaedi, Ahmed
2018-05-01
Influence of temperature-dependent thermal conductivity on MHD flow of Cross nanoliquid bounded by a stretched sheet is explored. The combined feature of Brownian motion and thermophoresis in nanoliquid modeling is retained. In addition, the attributes of zero mass flux at sheet are imposed. First-order chemical reaction is retained. The resulting problems are numerically computed. Plots and tabulated values are presented and examined. It is figured out that larger thermophoretic diffusion and thermal conductivity significantly rise the thermal field, whereas opposite situation is seen for heat transfer rate.
Reduced order model of draft tube flow
International Nuclear Information System (INIS)
Rudolf, P; Štefan, D
2014-01-01
Swirling flow with compact coherent structures is very good candidate for proper orthogonal decomposition (POD), i.e. for decomposition into eigenmodes, which are the cornerstones of the flow field. Present paper focuses on POD of steady flows, which correspond to different operating points of Francis turbine draft tube flow. Set of eigenmodes is built using a limited number of snapshots from computational simulations. Resulting reduced order model (ROM) describes whole operating range of the draft tube. ROM enables to interpolate in between the operating points exploiting the knowledge about significance of particular eigenmodes and thus reconstruct the velocity field in any operating point within the given range. Practical example, which employs axisymmetric simulations of the draft tube flow, illustrates accuracy of ROM in regions without vortex breakdown together with need for higher resolution of the snapshot database close to location of sudden flow changes (e.g. vortex breakdown). ROM based on POD interpolation is very suitable tool for insight into flow physics of the draft tube flows (especially energy transfers in between different operating points), for supply of data for subsequent stability analysis or as an initialization database for advanced flow simulations
BenMohamed, Lbachir; Osorio, Nelson; Srivastava, Ruchi; Khan, Arif A.; Simpson, Jennifer L.; Wechsler, Steven L.
2015-01-01
Blinding ocular herpetic disease in humans is due to herpes simplex virus type 1 (HSV-1) reactivations from latency, rather than to primary acute infection. The cellular and molecular mechanisms that control the HSV-1 latency-reactivation cycle remain to be fully elucidated. The aim of this study was to determine if reactivation of the HSV-1 latency associated transcript (LAT) deletion mutant (dLAT2903) was impaired in this model, as it is in the rabbit model of induced and spontaneous reactivation and in the explant TG induced reactivation model in mice. The eyes of mice latently infected with wild type HSV-1 strain McKrae (LAT(+) virus) or dLAT2903 (LAT(−) virus) were irradiated with UV-B and reactivation was determined. We found that compared to LAT(−) virus, LAT(+) virus reactivated at a higher rate as determined by shedding of virus in tears on days 3 to 7 after UV-B treatment. Thus, the UV-B induced reactivation model of HSV-1 appears to be a useful small animal model for studying the mechanisms involved in how LAT enhances the HSV-1 reactivation phenotype. The utility of the model for investigating the immune evasion mechanisms regulating the HSV-1 latency/reactivation cycle and for testing the protective efficacy of candidate therapeutic vaccines and drugs are discussed. PMID:26002839
Gregory M. Dick; Ravi Namani; Bhavesh Patel; Ghassan S. Kassab
2018-01-01
Myogenic responses (pressure-dependent contractions) of coronary arterioles play a role in autoregulation (relatively constant flow vs. pressure). Publications on myogenic reactivity in swine coronaries vary in caliber, analysis, and degree of responsiveness. Further, data on myogenic responses and autoregulation in swine have not been completely compiled, compared, and modeled. Thus, it has been difficult to understand these physiological phenomena. Our purpose was to: (a) analyze myogenic d...
Scaled Experimental Modeling of VHTR Plenum Flows
Energy Technology Data Exchange (ETDEWEB)
ICONE 15
2007-04-01
Abstract The Very High Temperature Reactor (VHTR) is the leading candidate for the Next Generation Nuclear Power (NGNP) Project in the U.S. which has the goal of demonstrating the production of emissions free electricity and hydrogen by 2015. Various scaled heated gas and water flow facilities were investigated for modeling VHTR upper and lower plenum flows during the decay heat portion of a pressurized conduction-cooldown scenario and for modeling thermal mixing and stratification (“thermal striping”) in the lower plenum during normal operation. It was concluded, based on phenomena scaling and instrumentation and other practical considerations, that a heated water flow scale model facility is preferable to a heated gas flow facility and to unheated facilities which use fluids with ranges of density to simulate the density effect of heating. For a heated water flow lower plenum model, both the Richardson numbers and Reynolds numbers may be approximately matched for conduction-cooldown natural circulation conditions. Thermal mixing during normal operation may be simulated but at lower, but still fully turbulent, Reynolds numbers than in the prototype. Natural circulation flows in the upper plenum may also be simulated in a separate heated water flow facility that uses the same plumbing as the lower plenum model. However, Reynolds number scaling distortions will occur at matching Richardson numbers due primarily to the necessity of using a reduced number of channels connected to the plenum than in the prototype (which has approximately 11,000 core channels connected to the upper plenum) in an otherwise geometrically scaled model. Experiments conducted in either or both facilities will meet the objectives of providing benchmark data for the validation of codes proposed for NGNP designs and safety studies, as well as providing a better understanding of the complex flow phenomena in the plenums.
Model-Based Testing of a Reactive System with Coloured Petri Nets
DEFF Research Database (Denmark)
Tjell, Simon
2006-01-01
In this paper, a reactive and nondeterministic system is tested. This is doneby applying a generic model that has been specified as a configurable Coloured PetriNet. In this way, model-based testing is possible for a wide class of reactive system atthe level of discrete events. Concurrently...
Multiple Temperature Model for Near Continuum Flows
International Nuclear Information System (INIS)
XU, Kun; Liu, Hongwei; Jiang, Jianzheng
2007-01-01
In the near continuum flow regime, the flow may have different translational temperatures in different directions. It is well known that for increasingly rarefied flow fields, the predictions from continuum formulation, such as the Navier-Stokes equations, lose accuracy. These inaccuracies may be partially due to the single temperature assumption in the Navier-Stokes equations. Here, based on the gas-kinetic Bhatnagar-Gross-Krook (BGK) equation, a multitranslational temperature model is proposed and used in the flow calculations. In order to fix all three translational temperatures, two constraints are additionally proposed to model the energy exchange in different directions. Based on the multiple temperature assumption, the Navier-Stokes relation between the stress and strain is replaced by the temperature relaxation term, and the Navier-Stokes assumption is recovered only in the limiting case when the flow is close to the equilibrium with the same temperature in different directions. In order to validate the current model, both the Couette and Poiseuille flows are studied in the transition flow regime
Integrated Surface/subsurface flow modeling in PFLOTRAN
Energy Technology Data Exchange (ETDEWEB)
Painter, Scott L [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2016-10-01
Understanding soil water, groundwater, and shallow surface water dynamics as an integrated hydrological system is critical for understanding the Earth’s critical zone, the thin outer layer at our planet’s surface where vegetation, soil, rock, and gases interact to regulate the environment. Computational tools that take this view of soil moisture and shallow surface flows as a single integrated system are typically referred to as integrated surface/subsurface hydrology models. We extend the open-source, highly parallel, subsurface flow and reactive transport simulator PFLOTRAN to accommodate surface flows. In contrast to most previous implementations, we do not represent a distinct surface system. Instead, the vertical gradient in hydraulic head at the land surface is neglected, which allows the surface flow system to be eliminated and incorporated directly into the subsurface system. This tight coupling approach leads to a robust capability and also greatly simplifies implementation in existing subsurface simulators such as PFLOTRAN. Successful comparisons to independent numerical solutions build confidence in the approximation and implementation. Example simulations of the Walker Branch and East Fork Poplar Creek watersheds near Oak Ridge, Tennessee demonstrate the robustness of the approach in geometrically complex applications. The lack of a robust integrated surface/subsurface hydrology capability had been a barrier to PFLOTRAN’s use in critical zone studies. This work addresses that capability gap, thus enabling PFLOTRAN as a community platform for building integrated models of the critical zone.
Modelling of electrical power systems for power flow analysis
Energy Technology Data Exchange (ETDEWEB)
Cogo, Joao Roberto [Escola Federal de Engenharia de Itajuba, MG (Brazil)
1994-12-31
The industry systems in Brazil are responsible for a consumption of over 50% (fifty per cent) of the total electrical power generated: therefore, they are import loads in power flow studies, and their modeling should be as much the best. Usually, in power flow studies, the industry systems are modeled by taking the influence of the power (active and reactive) and of the current on the voltage into account. Since the inducting motors, within the industry systems, represent at least 50% (fifty per cent) of the power consumption, and a large part of them is oversize, it is proposed to represent the industry systems as a function of the characteristic of power on shaft versus voltage into account. Since the induction motors, within the industry systems, represent at least 50% (fifty per cent) of the power consumption, and a large part of them is oversized, it is proposed to represent the industry systems as a function of the characteristics of power on shaft versus voltage for the analysis of power systems, aiming a load flow study. Thereafter, a model of an equivalent motor which has a basis the typical performance curve of an induction motor is present. This model is obtained from empirical parameters, surveyed from a population of over 1000 motors. (author) 3 refs., 1 fig., 4 tabs.
Flow field mapping in data rack model
Directory of Open Access Journals (Sweden)
Matěcha J.
2013-04-01
Full Text Available The main objective of this study was to map the flow field inside the data rack model, fitted with three 1U server models. The server model is based on the common four-processor 1U server. The main dimensions of the data rack model geometry are taken fully from the real geometry. Only the model was simplified with respect to the greatest possibility in the experimental measurements. The flow field mapping was carried out both experimentally and numerically. PIV (Particle Image Velocimetry method was used for the experimental flow field mapping, when the flow field has been mapped for defined regions within the 2D/3D data rack model. Ansys CFX and OpenFOAM software were used for the numerical solution. Boundary conditions for numerical model were based on data obtained from experimental measurement of velocity profile at the output of the server mockup. This velocity profile was used as the input boundary condition in the calculation. In order to achieve greater consistency of the numerical model with experimental data, the numerical model was modified with regard to the results of experimental measurements. Results from the experimental and numerical measurements were compared and the areas of disparateness were identified. In further steps the obtained proven numerical model will be utilized for the real geometry of data racks and data.
Numerical modelling of flow pattern for high swirling flows
Directory of Open Access Journals (Sweden)
Parra Teresa
2015-01-01
Full Text Available This work focuses on the interaction of two coaxial swirling jets. High swirl burners are suitable for lean flames and produce low emissions. Computational Fluid Dynamics has been used to study the isothermal behaviour of two confined jets whose setup and operating conditions are those of the benchmark of Roback and Johnson. Numerical model is a Total Variation Diminishing and PISO is used to pressure velocity coupling. Transient analysis let identify the non-axisymmetric region of reverse flow. The center of instantaneous azimuthal velocities is not located in the axis of the chamber. The temporal sampling evidences this center spins around the axis of the device forming the precessing vortex core (PVC whose Strouhal numbers are more than two for Swirl numbers of one. Influence of swirl number evidences strong swirl numbers are precursor of large vortex breakdown. Influence of conical diffusers evidence the reduction of secondary flows associated to boundary layer separation.
Recent CFD Simulations of turbulent reactive flows with supercomputing for hydrogen safety
International Nuclear Information System (INIS)
Rehm, W.
2001-01-01
This paper describes the R and D work performed within the scope of joint project activities concerning the numerical simulation of reacting flow in complex geometries. The aim is the refinement of numerical methods used in computational fluid dynamics (CFD) by introducing high-performance computations (HPC) to analyse explosion processes in technical systems in more detail. Application examples concern conventional and nuclear energy systems, especially the safety aspects of future hydrogen technology. The project work is mainly focused on the modelling of the accident-related behaviour of hydrogen in safety enclosures regarding the distribution and combustion of burnable gas mixtures, ranging from slow to fast or even rapid flames. For fire and explosion protection, special models and criteria are being developed for the assessment of adequate safety measures to control deflagration-to-detonation transition (DDT) processes. Therefore, the physical mixing concept with dilution and inertization media is studied and recommended. (orig.) [de
Modeling sediment concentration of rill flow
Yang, Daming; Gao, Peiling; Zhao, Yadong; Zhang, Yuhang; Liu, Xiaoyuan; Zhang, Qingwen
2018-06-01
Accurate estimation of sediment concentration is essential to establish physically-based erosion models. The objectives of this study were to evaluate the effects of flow discharge (Q), slope gradient (S), flow velocity (V), shear stress (τ), stream power (ω) and unit stream power (U) on sediment concentration. Laboratory experiments were conducted using a 10 × 0.1 m rill flume under four flow discharges (2, 4, 8 and 16 L min-1), and five slope gradients (5°, 10°, 15°, 20° and 25°). The results showed that the measured sediment concentration varied from 87.08 to 620.80 kg m-3 with a mean value of 343.13 kg m-3. Sediment concentration increased as a power function with flow discharge and slope gradient, with R2 = 0.975 and NSE = 0.945. The sediment concentration was more sensitive to slope gradient than to flow discharge. The sediment concentration was well predicted by unit stream power (R2 = 0.937, NSE = 0.865), whereas less satisfactorily by flow velocity (R2 = 0.470, NSE = 0.539) and stream power (R2 = 0.773, NSE = 0.732). In addition, using the equations to simulate the measured sediment concentration of other studies, the result further indicated that slope gradient, flow discharge and unit stream power were good predictors of sediment concentration. In general, slope gradient, flow discharge and unit stream power seem to be the preferred predictors for estimating sediment concentration.
SPLOSH III. A code for calculating reactivity and flow transients in CSGHWR
International Nuclear Information System (INIS)
Halsall, M.J.; Course, A.F.; Sidell, J.
1979-09-01
SPLOSH is a time dependent, one dimensional, finite difference (in time and space) coupled neutron kinetics and thermal hydraulics code for studying pressurised faults and control transients in water reactor systems. An axial single channel model with equally spaced mesh intervals is used to represent the neutronics of the reactor core. A radial finite difference model is used for heat conduction through the fuel pin, gas gap and can. Appropriate convective, boiling or post-dryout heat transfer correlations are used at the can-coolant interface. The hydraulics model includes the important features of the SGHWR primary loop including 'slave' channels in parallel with the 'mean' channel. Standard mass, energy and momentum equations are solved explicitly. Circuit features modelled include pumps, spray cooling and the SGHWR steam drum. Perturbations to almost any feature of the circuit model may be specified by the user although blowdown calculations resulting in critical or reversed flows are not permitted. Automatic reactor trips may be defined and the ensuing actions of moderator dumping and rod firing can be specified. (UK)
Multiphase flow models for hydraulic fracturing technology
Osiptsov, Andrei A.
2017-10-01
The technology of hydraulic fracturing of a hydrocarbon-bearing formation is based on pumping a fluid with particles into a well to create fractures in porous medium. After the end of pumping, the fractures filled with closely packed proppant particles create highly conductive channels for hydrocarbon flow from far-field reservoir to the well to surface. The design of the hydraulic fracturing treatment is carried out with a simulator. Those simulators are based on mathematical models, which need to be accurate and close to physical reality. The entire process of fracture placement and flowback/cleanup can be conventionally split into the following four stages: (i) quasi-steady state effectively single-phase suspension flow down the wellbore, (ii) particle transport in an open vertical fracture, (iii) displacement of fracturing fluid by hydrocarbons from the closed fracture filled with a random close pack of proppant particles, and, finally, (iv) highly transient gas-liquid flow in a well during cleanup. The stage (i) is relatively well described by the existing hydralics models, while the models for the other three stages of the process need revisiting and considerable improvement, which was the focus of the author’s research presented in this review paper. For stage (ii), we consider the derivation of a multi-fluid model for suspension flow in a narrow vertical hydraulic fracture at moderate Re on the scale of fracture height and length and also the migration of particles across the flow on the scale of fracture width. At the stage of fracture cleanaup (iii), a novel multi-continua model for suspension filtration is developed. To provide closure relationships for permeability of proppant packings to be used in this model, a 3D direct numerical simulation of single phase flow is carried out using the lattice-Boltzmann method. For wellbore cleanup (iv), we present a combined 1D model for highly-transient gas-liquid flow based on the combination of multi-fluid and
Particle in the Brusselator Model with Flow
DEFF Research Database (Denmark)
Kuptsov, P.V.; Kuznetsov, S.P.; Mosekilde, Erik
2002-01-01
We consider the interaction of a small moving particle with a stationary space-periodic pattern in a chemical reaction-diffusion system with a flow. The pattern is produced by a one-dimensional Brusselator model that is perturbed by a constant displacement from the equilibrium state at the inlet....... By partially blocking the flow, the particle gives rise to a local increment of the flow rate. For certain parameter values a response with intermittent Hopf and Turing type structures is observed. In other regimes a wave of substitution of missing peaks runs across the pattern....
Electromechanical Model of Blood Flow in Vessels
Ivo Cap; Barbora Czippelova
2008-01-01
The present paper deals with some theoretical derivations connected with very efficient method of solution of hydrodynamic problems of blood flow in human cardiovascular system. The electromechanical analogy of liquid flow in a tube and electromagnetic wave propagating along an electric transmission line is discussed. We have derived a detailed circuit-like model of an elementary section of the elastic tube with viscose Newtonian liquid. The analogy harmonic current electrical cir...
Electromechanical Model of Blood Flow in Vessels
Directory of Open Access Journals (Sweden)
Ivo Cap
2008-01-01
Full Text Available The present paper deals with some theoretical derivations connected with very efficient method of solution of hydrodynamic problems of blood flow in human cardiovascular system. The electromechanical analogy of liquid flow in a tube and electromagnetic wave propagating along an electric transmission line is discussed. We have derived a detailed circuit-like model of an elementary section of the elastic tube with viscose Newtonian liquid. The analogy harmonic current electrical circuit has been designed
A simple flow-concentration modelling method for integrating water ...
African Journals Online (AJOL)
A simple flow-concentration modelling method for integrating water quality and ... flow requirements are assessed for maintenance low flow, drought low flow ... the instream concentrations of chemical constituents that will arise from different ...
Review and selection of unsaturated flow models
Energy Technology Data Exchange (ETDEWEB)
Reeves, M.; Baker, N.A.; Duguid, J.O. [INTERA, Inc., Las Vegas, NV (United States)
1994-04-04
Since the 1960`s, ground-water flow models have been used for analysis of water resources problems. In the 1970`s, emphasis began to shift to analysis of waste management problems. This shift in emphasis was largely brought about by site selection activities for geologic repositories for disposal of high-level radioactive wastes. Model development during the 1970`s and well into the 1980`s focused primarily on saturated ground-water flow because geologic repositories in salt, basalt, granite, shale, and tuff were envisioned to be below the water table. Selection of the unsaturated zone at Yucca Mountain, Nevada, for potential disposal of waste began to shift model development toward unsaturated flow models. Under the US Department of Energy (DOE), the Civilian Radioactive Waste Management System Management and Operating Contractor (CRWMS M&O) has the responsibility to review, evaluate, and document existing computer models; to conduct performance assessments; and to develop performance assessment models, where necessary. This document describes the CRWMS M&O approach to model review and evaluation (Chapter 2), and the requirements for unsaturated flow models which are the bases for selection from among the current models (Chapter 3). Chapter 4 identifies existing models, and their characteristics. Through a detailed examination of characteristics, Chapter 5 presents the selection of models for testing. Chapter 6 discusses the testing and verification of selected models. Chapters 7 and 8 give conclusions and make recommendations, respectively. Chapter 9 records the major references for each of the models reviewed. Appendix A, a collection of technical reviews for each model, contains a more complete list of references. Finally, Appendix B characterizes the problems used for model testing.
Review and selection of unsaturated flow models
International Nuclear Information System (INIS)
Reeves, M.; Baker, N.A.; Duguid, J.O.
1994-01-01
Since the 1960's, ground-water flow models have been used for analysis of water resources problems. In the 1970's, emphasis began to shift to analysis of waste management problems. This shift in emphasis was largely brought about by site selection activities for geologic repositories for disposal of high-level radioactive wastes. Model development during the 1970's and well into the 1980's focused primarily on saturated ground-water flow because geologic repositories in salt, basalt, granite, shale, and tuff were envisioned to be below the water table. Selection of the unsaturated zone at Yucca Mountain, Nevada, for potential disposal of waste began to shift model development toward unsaturated flow models. Under the US Department of Energy (DOE), the Civilian Radioactive Waste Management System Management and Operating Contractor (CRWMS M ampersand O) has the responsibility to review, evaluate, and document existing computer models; to conduct performance assessments; and to develop performance assessment models, where necessary. This document describes the CRWMS M ampersand O approach to model review and evaluation (Chapter 2), and the requirements for unsaturated flow models which are the bases for selection from among the current models (Chapter 3). Chapter 4 identifies existing models, and their characteristics. Through a detailed examination of characteristics, Chapter 5 presents the selection of models for testing. Chapter 6 discusses the testing and verification of selected models. Chapters 7 and 8 give conclusions and make recommendations, respectively. Chapter 9 records the major references for each of the models reviewed. Appendix A, a collection of technical reviews for each model, contains a more complete list of references. Finally, Appendix B characterizes the problems used for model testing
Experimental Study and Reactive Transport Modeling of Boric Acid Leaching of Concrete
Directory of Open Access Journals (Sweden)
Chiang K.-T. K.
2013-07-01
Full Text Available Borated water leakage through spent fuel pools (SFPs at pressurized water reactors is a concern because it could cause corrosion of reinforcement steel in the concrete structure, compromise the integrity of the structure, or cause unmonitored releases of contaminated water to the environment. Experimental data indicate that pH is a critical parameter that determines the corrosion susceptibility of rebar in borated water and the degree of concrete degradation by boric acid leaching. In this study, reactive transport modeling of concrete leaching by borated water was performed to provide information on the solution pH in the concrete crack or matrix and the degree of concrete degradation at different locations of an SFP concrete structure exposed to borated water. Simulations up to 100 years were performed using different boric acid concentrations, crack apertures, and solution flow rates. Concrete cylinders were immersed in boric acid solutions for several months and the mineralogical changes and boric acid penetration in the concrete cylinder were evaluated as a function of time. The depths of concrete leaching by boric acid solution derived from the reactive transport simulations were compared with the measured boric acid penetration depth.
International Nuclear Information System (INIS)
Credoz, A.
2009-10-01
CO 2 capture, transport and geological storage is one of the main solutions considered in the short and medium term to reduce CO 2 and others greenhouse gases emissions towards the atmosphere, by storing CO 2 in deeper geological reservoirs during 100 to 10 000 years. This Ph-D study offers a multi-scale vision of complex clayey cap-rocks reactivity and evolution. These formations are identified for the CO 2 containment and sealing into the reservoir. From the experimental scale on purified clay minerals to integrative modeling at high space and time scales, the strategy developed allowed identifying the main geochemical processes, to check the good agreement between experiment and modeling, and to lay emphasis the operational impacts on long-term cap-rocks integrity. Carbonated cements alteration is likely to open cap-rock porosity and to create preferential reactive pathway for reactive fluid flow. Besides, this could alter the cap-rock structure and the global geo-mechanic properties. Clay minerals alteration, including the illitization process, reduces the clay fraction volume but considerably limits the porosity increase. The illitization process in acidic conditions determined experimentally and by modeling at low and high scale, is coupled with silica precipitation. The final porosity increase control results of these two reactive processes balance. By a fundamental side, this study reveals new kinetic parameters of clay minerals and highlights new structural transformations. By an operational side, this study contributes to the acquisition of qualitative data (long-term reactive pathways of clayey cap-rocks, coupled reactivity carbonates/clays) and quantitative data (CO 2 penetration distance into the cap-rock) to partly answer to the performance and safety assessment CO 2 capture and geological storage. (author)
Assessing alternative conceptual models of fracture flow
International Nuclear Information System (INIS)
Ho, C.K.
1995-01-01
The numerical code TOUGH2 was used to assess alternative conceptual models of fracture flow. The models that were considered included the equivalent continuum model (ECM) and the dual permeability (DK) model. A one-dimensional, layered, unsaturated domain was studied with a saturated bottom boundary and a constant infiltration at the top boundary. Two different infiltration rates were used in the studies. In addition, the connection areas between the fracture and matrix elements in the dual permeability model were varied. Results showed that the two conceptual models of fracture flow produced different saturation and velocity profiles-even under steady-state conditions. The magnitudes of the discrepancies were sensitive to two parameters that affected the flux between the fractures and matrix in the dual permeability model: (1) the fracture-matrix connection areas and (2) the capillary pressure gradients between the fracture and matrix elements
Unsaturated zone flow modeling for GWTT-95
International Nuclear Information System (INIS)
Ho, C.K.; Altman, S.J.; McKenna, S.A.; Arnold, B.W.
1995-01-01
In accordance with the Nuclear Regulatory Commission regulation regarding groundwater travel times at geologic repositories, various models of unsaturated flow in fractured tuff have been developed and implemented to assess groundwater travel times at the potential repository at Yucca Mountain, Nevada. Kaplan used one-dimensional models to describe the uncertainty and sensitivity of travel times to various processes at Yucca Mountain. Robey and Arnold et al. used a two-dimensional equivalent continuum model (ECM) with inter- and intra-unit heterogeneity in an attempt to assess fast-flow paths through the unsaturated, fractured tuff at Yucca Mountain (GWTT-94). However, significant flow through the fractures in previous models was not simulated due to the characteristics of the ECM, which requires the matrix to be nearly saturated before flow through the fractures is initiated. In the current study (GWTT-95), four two-dimensional cross-sections at Yucca Mountain are simulated using both the ECM and dual-permeability (DK) models. The properties of both the fracture and matrix domains are geostatistically simulated, yielding completely heterogeneous continua. Then, simulations of flow through the four cross-sections are performed using spatially nonuniform infiltration boundary conditions. Steady-state groundwater travel times from the potential repository to the water table are calculated
DEFF Research Database (Denmark)
Chambon, Julie Claire Claudia; Bjerg, Poul Løgstrup; Scheutz, Charlotte
2013-01-01
Reductive dechlorination is a major degradation pathway of chlorinated ethenes in anaerobic subsurface environments, and reactive kinetic models describing the degradation process are needed in fate and transport models of these contaminants. However, reductive dechlorination is a complex biologi...
A subchannel based annular flow dryout model
International Nuclear Information System (INIS)
Hammouda, Najmeddine; Cheng, Zhong; Rao, Yanfei F.
2016-01-01
Highlights: • A modified annular flow dryout model for subchannel thermalhydraulic analysis. • Implementation of the model in Canadian subchannel code ASSERT-PV. • Assessment of the model against tube CHF experiments. • Assessment of the model against CANDU-bundle CHF experiments. - Abstract: This paper assesses a popular tube-based mechanistic critical heat flux model (Hewitt and Govan’s annular flow model (based on the model of Whalley et al.), and modifies and implements the model for bundle geometries. It describes the results of the ASSERT subchannel code predictions using the modified model, as applied to a single tube and the 28-element, 37-element and 43-element (CANFLEX) CANDU bundles. A quantitative comparison between the model predictions and experimental data indicates good agreement for a wide range of flow conditions. The comparison has resulted in an overall average error of −0.15% and an overall root-mean-square error of 5.46% with tube data representing annular film dryout type critical heat flux, and in an overall average error of −0.9% and an overall RMS error of 9.9% with Stern Laboratories’ CANDU-bundle data.
On renormalization group flow in matrix model
International Nuclear Information System (INIS)
Gao, H.B.
1992-10-01
The renormalization group flow recently found by Brezin and Zinn-Justin by integrating out redundant entries of the (N+1)x(N+1) Hermitian random matrix is studied. By introducing explicitly the RG flow parameter, and adding suitable counter terms to the matrix potential of the one matrix model, we deduce some interesting properties of the RG trajectories. In particular, the string equation for the general massive model interpolating between the UV and IR fixed points turns out to be a consequence of RG flow. An ambiguity in the UV region of the RG trajectory is remarked to be related to the large order behaviour of the one matrix model. (author). 7 refs
Multiphase reacting flows modelling and simulation
Marchisio, Daniele L
2007-01-01
The papers in this book describe the most widely applicable modeling approaches and are organized in six groups covering from fundamentals to relevant applications. In the first part, some fundamentals of multiphase turbulent reacting flows are covered. In particular the introduction focuses on basic notions of turbulence theory in single-phase and multi-phase systems as well as on the interaction between turbulence and chemistry. In the second part, models for the physical and chemical processes involved are discussed. Among other things, particular emphasis is given to turbulence modeling strategies for multiphase flows based on the kinetic theory for granular flows. Next, the different numerical methods based on Lagrangian and/or Eulerian schemes are presented. In particular the most popular numerical approaches of computational fluid dynamics codes are described (i.e., Direct Numerical Simulation, Large Eddy Simulation, and Reynolds-Averaged Navier-Stokes approach). The book will cover particle-based meth...
A void distribution model-flashing flow
International Nuclear Information System (INIS)
Riznic, J.; Ishii, M.; Afgan, N.
1987-01-01
A new model for flashing flow based on wall nucleations is proposed here and the model predictions are compared with some experimental data. In order to calculate the bubble number density, the bubble number transport equation with a distributed source from the wall nucleation sites was used. Thus it was possible to avoid the usual assumption of a constant bubble number density. Comparisons of the model with the data shows that the model based on the nucleation site density correlation appears to be acceptable to describe the vapor generation in the flashing flow. For the limited data examined, the comparisons show rather satisfactory agreement without using a floating parameter to adjust the model. This result indicated that, at least for the experimental conditions considered here, the mechanistic predictions of the flashing phenomenon is possible on the present wall nucleation based model
Saar, Martin O.
2011-11-01
Understanding the fluid dynamics of supercritical carbon dioxide (CO2) in brine- filled porous media is important for predictions of CO2 flow and brine displacement during geologic CO2 sequestration and during geothermal energy capture using sequestered CO2 as the subsurface heat extraction fluid. We investigate multiphase fluid flow in porous media employing particle image velocimetry experiments and lattice-Boltzmann fluid flow simulations at the pore scale. In particular, we are interested in the motion of a drop (representing a CO2 bubble) through an orifice in a plate, representing a simplified porous medium. In addition, we study single-phase/multicomponent reactive transport experimentally by injecting water with dissolved CO2 into rocks/sediments typically considered for CO2 sequestration to investigate how resultant fluid-mineral reactions modify permeability fields. Finally, we investigate numerically subsurface CO2 and heat transport at the geologic formation scale.
A reactive transport model for mercury fate in contaminated soil--sensitivity analysis.
Leterme, Bertrand; Jacques, Diederik
2015-11-01
We present a sensitivity analysis of a reactive transport model of mercury (Hg) fate in contaminated soil systems. The one-dimensional model, presented in Leterme et al. (2014), couples water flow in variably saturated conditions with Hg physico-chemical reactions. The sensitivity of Hg leaching and volatilisation to parameter uncertainty is examined using the elementary effect method. A test case is built using a hypothetical 1-m depth sandy soil and a 50-year time series of daily precipitation and evapotranspiration. Hg anthropogenic contamination is simulated in the topsoil by separately considering three different sources: cinnabar, non-aqueous phase liquid and aqueous mercuric chloride. The model sensitivity to a set of 13 input parameters is assessed, using three different model outputs (volatilized Hg, leached Hg, Hg still present in the contaminated soil horizon). Results show that dissolved organic matter (DOM) concentration in soil solution and the binding constant to DOM thiol groups are critical parameters, as well as parameters related to Hg sorption to humic and fulvic acids in solid organic matter. Initial Hg concentration is also identified as a sensitive parameter. The sensitivity analysis also brings out non-monotonic model behaviour for certain parameters.
Reactive transport modelling of groundwater chemistry in a chalk aquifer at the watershed scale.
Mangeret, A; De Windt, L; Crançon, P
2012-09-01
This study investigates thermodynamics and kinetics of water-rock interactions in a carbonate aquifer at the watershed scale. A reactive transport model is applied to the unconfined chalk aquifer of the Champagne Mounts (France), by considering both the chalk matrix and the interconnected fracture network. Major element concentrations and main chemical parameters calculated in groundwater and their evolution along flow lines are in fair agreement with field data. A relative homogeneity of the aquifer baseline chemistry is rapidly reached in terms of pH, alkalinity and Ca concentration since calcite equilibrium is achieved over the first metres of the vadose zone. However, incongruent chalk dissolution slowly releases Ba, Mg and Sr in groundwater. Introducing dilution effect by rainwater infiltration and a local occurrence of dolomite improves the agreement between modelling and field data. The dissolution of illite and opal-CT, controlling K and SiO(2) concentrations in the model, can be approximately tackled by classical kinetic rate laws, but not the incongruent chalk dissolution. An apparent kinetic rate has therefore been fitted on field data by inverse modelling: 1.5×10(-5) mol(chalk)L (-1) water year (-1). Sensitivity analysis indicates that the CO(2) partial pressure of the unsaturated zone is a critical parameter for modelling the baseline chemistry over the whole chalk aquifer. Copyright © 2012 Elsevier B.V. All rights reserved.
High-order multi-implicit spectral deferred correction methods for problems of reactive flow
International Nuclear Information System (INIS)
Bourlioux, Anne; Layton, Anita T.; Minion, Michael L.
2003-01-01
Models for reacting flow are typically based on advection-diffusion-reaction (A-D-R) partial differential equations. Many practical cases correspond to situations where the relevant time scales associated with each of the three sub-processes can be widely different, leading to disparate time-step requirements for robust and accurate time-integration. In particular, interesting regimes in combustion correspond to systems in which diffusion and reaction are much faster processes than advection. The numerical strategy introduced in this paper is a general procedure to account for this time-scale disparity. The proposed methods are high-order multi-implicit generalizations of spectral deferred correction methods (MISDC methods), constructed for the temporal integration of A-D-R equations. Spectral deferred correction methods compute a high-order approximation to the solution of a differential equation by using a simple, low-order numerical method to solve a series of correction equations, each of which increases the order of accuracy of the approximation. The key feature of MISDC methods is their flexibility in handling several sub-processes implicitly but independently, while avoiding the splitting errors present in traditional operator-splitting methods and also allowing for different time steps for each process. The stability, accuracy, and efficiency of MISDC methods are first analyzed using a linear model problem and the results are compared to semi-implicit spectral deferred correction methods. Furthermore, numerical tests on simplified reacting flows demonstrate the expected convergence rates for MISDC methods of orders three, four, and five. The gain in efficiency by independently controlling the sub-process time steps is illustrated for nonlinear problems, where reaction and diffusion are much stiffer than advection. Although the paper focuses on this specific time-scales ordering, the generalization to any ordering combination is straightforward
Embedded Cluster Models for Reactivity of the Hydrated Electron
Czech Academy of Sciences Publication Activity Database
Uhlig, Frank; Jungwirth, Pavel
2013-01-01
Roč. 227, č. 11 (2013), s. 1583-1593 ISSN 0942-9352 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : hydrated electron * clusters * reactivity * ab initio molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.178, year: 2013
Stress and sleep reactivity: a prospective investigation of the stress-diathesis model of insomnia.
Drake, Christopher L; Pillai, Vivek; Roth, Thomas
2014-08-01
To prospectively assess sleep reactivity as a diathesis of insomnia, and to delineate the interaction between this diathesis and naturalistic stress in the development of insomnia among normal sleepers. Longitudinal. Community-based. 2,316 adults from the Evolution of Pathways to Insomnia Cohort (EPIC) with no history of insomnia or depression (46.8 ± 13.2 y; 60% female). None. Participants reported the number of stressful events they encountered at baseline (Time 1), as well as the level of cognitive intrusion they experienced in response to each stressor. Stressful events (OR = 1.13; P stress-induced cognitive intrusion (OR = 1.61; P stressful events on risk for insomnia (P sleep reactivity significantly increased risk for insomnia (OR = 1.78; P sleep reactivity moderated the effects of stress-induced intrusion (P sleep reactivity. Trait sleep reactivity also constituted a significant risk for depression (OR = 1.67; P sleep reactivity is a significant risk factor for incident insomnia, and that it triggers insomnia by exacerbating the effects of stress-induced intrusion. Sleep reactivity is also a precipitant of depression, as mediated by insomnia. These findings support the stress-diathesis model of insomnia, while highlighting sleep reactivity as an important diathesis. Drake CL, Pillai V, Roth T. Stress and sleep reactivity: a prospective investigation of the stress-diathesis model of insomnia.
Development of a model for the synthesis of unsaturated polyester by reactive distillation
Shah, M.R.; Zondervan, E.; Oudshoorn, M.L.; Haan, de A.B.; Haan, de A.B.; Kooijman, H.; Górak, A.
2010-01-01
Traditionally polyester production is done in a batch reactor equipped with a separation column for batch distillation. A promising alternative for the intensification of this process is reactive distillation. In this paper, a reactive distillation model is developed for the synthesis of an
Numerical modeling of the debris flows runout
Directory of Open Access Journals (Sweden)
Federico Francesco
2017-01-01
Full Text Available Rapid debris flows are identified among the most dangerous of all landslides. Due to their destructive potential, the runout length has to be predicted to define the hazardous areas and design safeguarding measures. To this purpose, a continuum model to predict the debris flows mobility is developed. It is based on the well known depth-integrated avalanche model proposed by Savage and Hutter (S&H model to simulate the dry granular materials flows. Conservation of mass and momentum equations, describing the evolving geometry and the depth averaged velocity distribution, are re-written taking into account the effects of the interstitial pressures and the possible variation of mass along the motion due to erosion/deposition processes. Furthermore, the mechanical behaviour of the debris flow is described by a recently developed rheological law, which allows to take into account the dissipative effects of the grain inelastic collisions and friction, simultaneously acting within a ‘shear layer’, typically at the base of the debris flows. The governing PDEs are solved by applying the finite difference method. The analysis of a documented case is finally carried out.
SATURATED ZONE FLOW AND TRANSPORT MODEL ABSTRACTION
International Nuclear Information System (INIS)
B.W. ARNOLD
2004-01-01
The purpose of the saturated zone (SZ) flow and transport model abstraction task is to provide radionuclide-transport simulation results for use in the total system performance assessment (TSPA) for license application (LA) calculations. This task includes assessment of uncertainty in parameters that pertain to both groundwater flow and radionuclide transport in the models used for this purpose. This model report documents the following: (1) The SZ transport abstraction model, which consists of a set of radionuclide breakthrough curves at the accessible environment for use in the TSPA-LA simulations of radionuclide releases into the biosphere. These radionuclide breakthrough curves contain information on radionuclide-transport times through the SZ. (2) The SZ one-dimensional (I-D) transport model, which is incorporated in the TSPA-LA model to simulate the transport, decay, and ingrowth of radionuclide decay chains in the SZ. (3) The analysis of uncertainty in groundwater-flow and radionuclide-transport input parameters for the SZ transport abstraction model and the SZ 1-D transport model. (4) The analysis of the background concentration of alpha-emitting species in the groundwater of the SZ
Michoud, Vincent; Locoge, Nadine; Dusanter, Sébastien
2015-04-01
The Hydroxyl radical (OH) is the main daytime oxidant in the troposphere, leading to the oxidation of Volatile Organic Compounds (VOCs) and the formation of harmful pollutants such as ozone (O3) and Secondary Organic Aerosols (SOA). While OH plays a key role in tropospheric chemistry, recent studies have highlighted that there are still uncertainties associated with the OH budget, i.e the identification of sources and sinks and the quantification of production and loss rates of this radical. It has been demonstrated that ambient measurements of the total OH loss rate (also called total OH reactivity) can be used to identify and reduce these uncertainties. In this context, the Comparative Reactivity Method (CRM), developed by Sinha et al. (ACP, 2008), is a promising technique to measure total OH reactivity in ambient air and has already been used during several field campaigns. This technique relies on monitoring competitive reactions of OH with ambient trace gases and a reference compound (pyrrole) in a sampling reactor to derive ambient OH reactivity. However, this technique requires a complex data processing chain that has yet to be carefully investigated in the laboratory. In this study, we present a detailed characterization of a CRM instrument developed at Mines Douai, France. Experiments have been performed to investigate the dependence of the CRM response on humidity, ambient NOx levels, and the pyrrole-to-OH ratio inside the sampling reactor. Box modelling of the chemistry occurring in the reactor has also been performed to assess our theoretical understanding of the CRM measurement. This work shows that the CRM response is sensitive to both humidity and NOx, which can be accounted for during data processing using parameterizations depending on the pyrrole-to-OH ratio. The agreement observed between laboratory studies and model results suggests a good understanding of the chemistry occurring in the sampling reactor and gives confidence in the CRM
A Preliminary Assessment of the SURF Reactive Burn Model Implementation in FLAG
Energy Technology Data Exchange (ETDEWEB)
Johnson, Carl Edward [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); McCombe, Ryan Patrick [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Carver, Kyle [United States Air Force, Washington, DC (United States)
2017-09-18
Properly validated and calibrated reactive burn models (RBM) can be useful engineering tools for assessing high explosive performance and safety. Experiments with high explosives are expensive. Inexpensive RBM calculations are increasingly relied on for predictive analysis for performance and safety. This report discusses the validation of Menikoff and Shaw’s SURF reactive burn model, which has recently been implemented in the FLAG code. The LANL Gapstick experiment is discussed as is its’ utility in reactive burn model validation. Data obtained from pRad for the LT-63 series is also presented along with FLAG simulations using SURF for both PBX 9501 and PBX 9502. Calibration parameters for both explosives are presented.
Multiagent-Based Reactive Power Sharing and Control Model for Islanded Microgrids
DEFF Research Database (Denmark)
Chen, Feixiong; Chen, Minyou; Li, Qiang
2016-01-01
of the control model, in which the uncertainty of intermittent DGs, variations in load demands, as well as impacts of time delays are considered. The simulation results demonstrate the eectiveness of the control model in proportional reactive power sharing, and the plug and play capability of the control model......In islanded microgrids (MGs), the reactive power cannot be shared proportionally among distributed generators (DGs) with conventional droop control, due to the mismatch in feeder impedances. For the purpose of proportional reactive power sharing, a multiagent system (MAS) based distributed control...
Residence-time framework for modeling multicomponent reactive transport in stream hyporheic zones
Painter, S. L.; Coon, E. T.; Brooks, S. C.
2017-12-01
Process-based models for transport and transformation of nutrients and contaminants in streams require tractable representations of solute exchange between the stream channel and biogeochemically active hyporheic zones. Residence-time based formulations provide an alternative to detailed three-dimensional simulations and have had good success in representing hyporheic exchange of non-reacting solutes. We extend the residence-time formulation for hyporheic transport to accommodate general multicomponent reactive transport. To that end, the integro-differential form of previous residence time models is replaced by an equivalent formulation based on a one-dimensional advection dispersion equation along the channel coupled at each channel location to a one-dimensional transport model in Lagrangian travel-time form. With the channel discretized for numerical solution, the associated Lagrangian model becomes a subgrid model representing an ensemble of streamlines that are diverted into the hyporheic zone before returning to the channel. In contrast to the previous integro-differential forms of the residence-time based models, the hyporheic flowpaths have semi-explicit spatial representation (parameterized by travel time), thus allowing coupling to general biogeochemical models. The approach has been implemented as a stream-corridor subgrid model in the open-source integrated surface/subsurface modeling software ATS. We use bedform-driven flow coupled to a biogeochemical model with explicit microbial biomass dynamics as an example to show that the subgrid representation is able to represent redox zonation in sediments and resulting effects on metal biogeochemical dynamics in a tractable manner that can be scaled to reach scales.
Improved modeling techniques for turbomachinery flow fields
Energy Technology Data Exchange (ETDEWEB)
Lakshminarayana, B. [Pennsylvania State Univ., University Park, PA (United States); Fagan, J.R. Jr. [Allison Engine Company, Indianapolis, IN (United States)
1995-10-01
This program has the objective of developing an improved methodology for modeling turbomachinery flow fields, including the prediction of losses and efficiency. Specifically, the program addresses the treatment of the mixing stress tensor terms attributed to deterministic flow field mechanisms required in steady-state Computational Fluid Dynamic (CFD) models for turbo-machinery flow fields. These mixing stress tensors arise due to spatial and temporal fluctuations (in an absolute frame of reference) caused by rotor-stator interaction due to various blade rows and by blade-to-blade variation of flow properties. These tasks include the acquisition of previously unavailable experimental data in a high-speed turbomachinery environment, the use of advanced techniques to analyze the data, and the development of a methodology to treat the deterministic component of the mixing stress tensor. Penn State will lead the effort to make direct measurements of the momentum and thermal mixing stress tensors in high-speed multistage compressor flow field in the turbomachinery laboratory at Penn State. They will also process the data by both conventional and conditional spectrum analysis to derive momentum and thermal mixing stress tensors due to blade-to-blade periodic and aperiodic components, revolution periodic and aperiodic components arising from various blade rows and non-deterministic (which includes random components) correlations. The modeling results from this program will be publicly available and generally applicable to steady-state Navier-Stokes solvers used for turbomachinery component (compressor or turbine) flow field predictions. These models will lead to improved methodology, including loss and efficiency prediction, for the design of high-efficiency turbomachinery and drastically reduce the time required for the design and development cycle of turbomachinery.
Modeling of unified power quality conditioner (UPQC) in distribution systems load flow
International Nuclear Information System (INIS)
Hosseini, M.; Shayanfar, H.A.; Fotuhi-Firuzabad, M.
2009-01-01
This paper presents modeling of unified power quality conditioner (UPQC) in load flow calculations for steady-state voltage compensation. An accurate model for this device is derived to use in load flow calculations. The rating of this device as well as direction of reactive power injection required to compensate voltage to the desired value (1 p.u.) is derived and discussed analytically and mathematically using phasor diagram method. Since performance of the compensator varies when it reaches to its maximum capacity, modeling of UPQC in its maximum rating of reactive power injection is derived. The validity of the proposed model is examined using two standard distribution systems consisting of 33 and 69 nodes, respectively. The best location of UPQC for under voltage problem mitigation in the distribution network is determined. The results show the validity of the proposed model for UPQC in large distribution systems.
Modeling of unified power quality conditioner (UPQC) in distribution systems load flow
Energy Technology Data Exchange (ETDEWEB)
Hosseini, M.; Shayanfar, H.A. [Center of Excellence for Power System Automation and Operation, Department of Electrical Engineering, Iran University of Science and Technology, Tehran (Iran); Fotuhi-Firuzabad, M. [Department of Electrical Engineering, Sharif University of Technology, Tehran (Iran)
2009-06-15
This paper presents modeling of unified power quality conditioner (UPQC) in load flow calculations for steady-state voltage compensation. An accurate model for this device is derived to use in load flow calculations. The rating of this device as well as direction of reactive power injection required to compensate voltage to the desired value (1 p.u.) is derived and discussed analytically and mathematically using phasor diagram method. Since performance of the compensator varies when it reaches to its maximum capacity, modeling of UPQC in its maximum rating of reactive power injection is derived. The validity of the proposed model is examined using two standard distribution systems consisting of 33 and 69 nodes, respectively. The best location of UPQC for under voltage problem mitigation in the distribution network is determined. The results show the validity of the proposed model for UPQC in large distribution systems. (author)
Reactive transport modeling in the subsurface environment with OGS-IPhreeqc
He, Wenkui; Beyer, Christof; Fleckenstein, Jan; Jang, Eunseon; Kalbacher, Thomas; Naumov, Dimitri; Shao, Haibing; Wang, Wenqing; Kolditz, Olaf
2015-04-01
Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over
Reactive transport modeling in variably saturated porous media with OGS-IPhreeqc
He, W.; Beyer, C.; Fleckenstein, J. H.; Jang, E.; Kalbacher, T.; Shao, H.; Wang, W.; Kolditz, O.
2014-12-01
Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over
Reactive transport modeling of coupled inorganic and organic processes in groundwater
Energy Technology Data Exchange (ETDEWEB)
Brun, Adam
1997-12-31
The main goals of this project are to develop and apply a reactive transport code for simulation of coupled organic and inorganic processes in the pollution plume in the ground water down-gradient from the Vejen landfill, Denmark. The detailed field investigations in this aquifer have previously revealed a complex pattern of strongly interdependent organic and inorganic processes. These processes occur simultaneously in a flow and transport system where the mixing of reactive species is influenced by the rather complex geology in the vicinity of the landfill. The removal of organic matter is influenced by the presence of various electron acceptors that also are involved in various inorganic geochemical reactions. It was concluded from the investigations that degradation of organic matter, complexation, mineral precipitation and dissolution, ion-exchange and inorganic redox reactions, as a minimum, should be included in the formulation of the model. The coupling of the organic and inorganic processes is developed based on a literature study. All inorganic processes are as an approximation described as equilibriumm processes. The organic processes are described by a maximum degradation rate that is decreased according to the availability of the participants in the processes, the actual pH, and the presence of inhibiting species. The reactive transport code consists of three separate codes, a flow and transport code, a geochemical code, and a biodegradation code. An iterative solution scheme couples the three codes. The coupled code was successfully verified for simple problems for which analytical solutions exist. For more complex problems the code was tested on synthetic cases and expected plume behavior was successfully simulated. Application of the code to the Vejen landfill aquifer was successful to the degree that the redox zonation down-gradient from the landfill was simulated correctly and that several of the simulated plumes showed a reasonable agreement with
International Nuclear Information System (INIS)
Bacon, D.H.; White, M.D.; McGrail, B.P.
2000-01-01
The Hanford Site, in southeastern Washington State, has been used extensively to produce nuclear materials for the US strategic defense arsenal by the Department of Energy (DOE) and its predecessors, the US Atomic Energy Commission and the US Energy Research and Development Administration. A large inventory of radioactive and mixed waste has accumulated in 177 buried single- and double shell tanks. Liquid waste recovered from the tanks will be pretreated to separate the low-activity fraction from the high-level and transuranic wastes. Vitrification is the leading option for immobilization of these wastes, expected to produce approximately 550,000 metric tons of Low Activity Waste (LAW) glass. This total tonnage, based on nominal Na 2 O oxide loading of 20% by weight, is destined for disposal in a near-surface facility. Before disposal of the immobilized waste can proceed, the DOE must approve a performance assessment, a document that described the impacts, if any, of the disposal facility on public health and environmental resources. Studies have shown that release rates of radionuclides from the glass waste form by reaction with water determine the impacts of the disposal action more than any other independent parameter. This report describes the latest accomplishments in the development of a computational tool, Subsurface Transport Over Reactive Multiphases (STORM), Version 2, a general, coupled non-isothermal multiphase flow and reactive transport simulator. The underlying mathematics in STORM describe the rate of change of the solute concentrations of pore water in a variably saturated, non-isothermal porous medium, and the alteration of waste forms, packaging materials, backfill, and host rocks
Modelling Nitrogen Transformation in Horizontal Subsurface Flow ...
African Journals Online (AJOL)
A mathematical model was developed to permit dynamic simulation of nitrogen interaction in a pilot horizontal subsurface flow constructed wetland receiving effluents from primary facultative pond. The system was planted with Phragmites mauritianus, which was provided with root zone depth of 75 cm. The root zone was ...
Modelling of flow phenomena during DC casting
Zuidema, J.
2005-01-01
Modelling of Flow Phenomena during DC Casting Jan Zuidema The production of aluminium ingots, by semi-continuous casting, is a complex process. DC Casting stands for direct chill casting. During this process liquid aluminium transforms to solid aluminium while cooling down. This is not an
Multiphase flow modeling in centrifugal partition chromatography.
Adelmann, S; Schwienheer, C; Schembecker, G
2011-09-09
The separation efficiency in Centrifugal Partition Chromatography (CPC) depends on selection of a suitable biphasic solvent system (distribution ratio, selectivity factor, sample solubility) and is influenced by hydrodynamics in the chambers. Especially the stationary phase retention, the interfacial area for mass transfer and the flow pattern (backmixing) are important parameters. Their relationship with physical properties, operating parameters and chamber geometry is not completely understood and predictions are hardly possible. Experimental flow visualization is expensive and two-dimensional only. Therefore we simulated the flow pattern using a volume-of-fluid (VOF) method, which was implemented in OpenFOAM®. For the three-dimensional simulation of a rotating FCPC®-chamber, gravitational centrifugal and Coriolis forces were added to the conservation equation. For experimental validation the flow pattern of different solvent systems was visualized with an optical measurement system. The amount of mobile phase in a chamber was calculated from gray scale values of videos recorded by an image processing routine in ImageJ®. To visualize the flow of the stationary phase polyethylene particles were used to perform a qualitative particle image velocimetry (PIV) analysis. We found a good agreement between flow patterns and velocity profiles of experiments and simulations. By using the model we found that increasing the chamber depth leads to higher specific interfacial area. Additionally a circular flow in the stationary phase was identified that lowers the interfacial area because it pushes the jet of mobile phase to the chamber wall. The Coriolis force alone gives the impulse for this behavior. As a result the model is easier to handle than experiments and allows 3D prediction of hydrodynamics in the chamber. Additionally it can be used for optimizing geometry and operating parameters for given physical properties of solvent systems. Copyright © 2011 Elsevier B
Multiphase flow modelling of furnace tapholes
Reynolds, Quinn G.; Erwee, Markus W.
2017-01-01
Pyrometallurgical furnaces of many varieties make use of tapholes in order to facilitate the removal of molten process material from inside the vessel. Correct understanding and operation of the taphole is essential for optimal performance of such furnaces. The present work makes use of computational fluid dynamics models generated using the OpenFOAM® framework in order to study flow behaviour in the taphole system. Single-phase large-eddy simulation models are used to quantify the discharge ...
International Nuclear Information System (INIS)
Juncosa, R.; Delgado, J.; Font, I.
2010-01-01
Radioactive decay is an important subject to take into account when studying the thermo-hydro-dynamic behavior of the buffer clay material used in the containment of radioactive waste. The modern concepts for the multibarrier design of a repository of high level waste in deep geologic formations consider that once canisters have failed, the buffer clay material must ensure the retention and/or delay of radionuclides within the time framework given in the assessment studies. Within the clay buffer, different chemical species are retarded/fixed according to several physicochemical processes (ion exchange, surface complexation, precipitation, matrix diffusion,..) but typical approaches do not consider the eventuality that radioactive species change their chemical nature (i.e. phase) thereby affecting their reactive behavior. The radioactive decay of an element takes place independently of the phase (aqueous, solid or gaseous) to which it belongs. This means that, in terms of radionuclide fixation, some geochemical processes will be effective scavengers (for instance mineral precipitation of crystal growth) while others will not (for instance ion exchange and/or sorption). In this contribution we present a reactive radioactive decay model of any number of chemical components including those that belong to decay series. The model, which is named FLOW-DECAY, also takes into account flow and isotopic migration and it has been applied considering a hypothetical model scenario provided by the project ENRESA 2000 and direct comparison with the results generated by the probabilistic code GoldSim. Results indicate that FLOW-DECAY may simulate the decay processes in a similar way that GoldSim, being the differences related to factors associated to code architecture. (orig.)
Krishna, M. Veera; Swarnalathamma, B. V.
2017-07-01
We considered the transient MHD flow of a reactive second grade fluid through porous medium between two infinitely long horizontal parallel plates when one of the plate is set into uniform accelerated motion in the presence of a uniform transverse magnetic field under Arrhenius reaction rate. The governing equations are solved by Laplace transform technique. The effects of the pertinent parameters on the velocity, temperature are discussed in detail. The shear stress and Nusselt number at the plates are also obtained analytically and computationally discussed with reference to governing parameters.
Modeling the dynamics of Plasmodium vivax infection and hypnozoite reactivation in vivo.
Directory of Open Access Journals (Sweden)
Adeshina I Adekunle
2015-03-01
Full Text Available The dynamics of Plasmodium vivax infection is characterized by reactivation of hypnozoites at varying time intervals. The relative contribution of new P. vivax infection and reactivation of dormant liver stage hypnozoites to initiation of blood stage infection is unclear. In this study, we investigate the contribution of new inoculations of P. vivax sporozoites to primary infection versus reactivation of hypnozoites by modeling the dynamics of P. vivax infection in Thailand in patients receiving treatment for either blood stage infection alone (chloroquine, or the blood and liver stages of infection (chloroquine + primaquine. In addition, we also analysed rates of infection in a study in Papua New Guinea (PNG where patients were treated with either artesunate, or artesunate + primaquine. Our results show that up to 96% of the P. vivax infection is due to hypnozoite reactivation in individuals living in endemic areas in Thailand. Similar analysis revealed the around 70% of infections in the PNG cohort were due to hypnozoite reactivation. We show how the age of the cohort, primaquine drug failure, and seasonality may affect estimates of the ratio of primary P. vivax infection to hypnozoite reactivation. Modeling of P. vivax primary infection and hypnozoite reactivation provides important insights into infection dynamics, and suggests that 90-96% of blood stage infections arise from hypnozoite reactivation. Major differences in infection kinetics between Thailand and PNG suggest the likelihood of drug failure in PNG.
Andre, B. J.; Rajaram, H.; Silverstein, J.
2010-12-01
diffusion model at the scale of a single rock is developed incorporating the proposed kinetic rate expressions. Simulations of initiation, washout and AMD flows are discussed to gain a better understanding of the role of porosity, effective diffusivity and reactive surface area in generating AMD. Simulations indicate that flow boundary conditions control generation of acid rock drainage as porosity increases.
Garcia, Emmanuel; Becker, Veronika G C; McCullough, Danielle J; Stabley, John N; Gittemeier, Elizabeth M; Opoku-Acheampong, Alexander B; Sieman, Dietmar W; Behnke, Bradley J
2016-07-01
Given the critical role of tumor O2 delivery in patient prognosis and the rise in preclinical exercise oncology studies, we investigated tumor and host tissue blood flow at rest and during exercise as well as vascular reactivity using a rat prostate cancer model grown in two transplantation sites. In male COP/CrCrl rats, blood flow (via radiolabeled microspheres) to prostate tumors [R3327-MatLyLu cells injected in the left flank (ectopic) or ventral prostate (orthotopic)] and host tissue was measured at rest and during a bout of mild-intensity exercise. α-Adrenergic vasoconstriction to norepinephrine (NE: 10(-9) to 10(-4) M) was determined in arterioles perforating the tumors and host tissue. To determine host tissue exercise hyperemia in healthy tissue, a sham-operated group was included. Blood flow was lower at rest and during exercise in ectopic tumors and host tissue (subcutaneous adipose) vs. the orthotopic tumor and host tissue (prostate). During exercise, blood flow to the ectopic tumor significantly decreased by 25 ± 5% (SE), whereas flow to the orthotopic tumor increased by 181 ± 30%. Maximal vasoconstriction to NE was not different between arterioles from either tumor location. However, there was a significantly higher peak vasoconstriction to NE in subcutaneous adipose arterioles (92 ± 7%) vs. prostate arterioles (55 ± 7%). Establishment of the tumor did not alter host tissue blood flow from either location at rest or during exercise. These data demonstrate that blood flow in tumors is dependent on host tissue hemodynamics and that the location of the tumor may critically affect how exercise impacts the tumor microenvironment and treatment outcomes. Copyright © 2016 the American Physiological Society.
We have conducted numerical simulation studies to assess the potential for injection-induced fault reactivation and notable seismic events associated with shale-gas hydraulic fracturing operations. The modeling is generally tuned toward conditions usually encountered in the Marce...
Theoretical modelling of nuclear waste flows - 16377
International Nuclear Information System (INIS)
Adams, J.F.; Biggs, S.R.; Fairweather, M.; Njobuenwu, D.; Yao, J.
2009-01-01
A large amount of nuclear waste is stored in tailings ponds as a solid-liquid slurry, and liquid flows containing suspensions of solid particles are encountered in the treatment and disposal of this waste. In processing this waste, it is important to understand the behaviour of particles within the flow in terms of their settling characteristics, their propensity to form solid beds, and the re-suspension characteristics of particles from a bed. A clearer understanding of such behaviour would allow the refinement of current approaches to waste management, potentially leading to reduced uncertainties in radiological impact assessments, smaller waste volumes and lower costs, accelerated clean-up, reduced worker doses, enhanced public confidence and diminished grounds for objection to waste disposal. Mathematical models are of significant value in nuclear waste processing since the extent of characterisation of wastes is in general low. Additionally, waste processing involves a diverse range of flows, within vessels, ponds and pipes. To investigate experimentally all waste form characteristics and potential flows of interest would be prohibitively expensive, whereas the use of mathematical models can help to focus experimental studies through the more efficient use of existing data, the identification of data requirements, and a reduction in the need for process optimisation in full-scale experimental trials. Validated models can also be used to predict waste transport behaviour to enable cost effective process design and continued operation, to provide input to process selection, and to allow the prediction of operational boundaries that account for the different types and compositions of particulate wastes. In this paper two mathematical modelling techniques, namely Reynolds-averaged Navier-Stokes (RANS) and large eddy simulation (LES), have been used to investigate particle-laden flows in a straight square duct and a duct with a bend. The flow solutions provided by
Large Eddy Simulations of Two-phase Turbulent Reactive Flows in IC Engines
Banaeizadeh, Araz; Schock, Harold; Jaberi, Farhad
2008-11-01
The two-phase filtered mass density function (FMDF) subgrid-scale (SGS) model is used for large-eddy simulation (LES) of turbulent spray combustion in internal combustion (IC) engines. The LES/FMDF is implemented via an efficient, hybrid numerical method. In this method, the filtered compressible Navier-Stokes equations in curvilinear coordinate systems are solved with a generalized, high-order, multi-block, compact differencing scheme. The spray and the FMDF are implemented with Lagrangian methods. The reliability and the consistency of the numerical methods are established for different IC engines and the complex interactions among mean and turbulent velocity fields, fuel droplets and combustion are shown to be well captured with the LES/FMDF. In both spark-ignition/direct-injection and diesel engines, the droplet size and velocity distributions are found to be modified by the unsteady, vortical motions generated by the incoming air during the intake stroke. In turn, the droplets are found to change the in-cylinder flow structure. In the spark-ignition engine, flame propagation is similar to the experiment. In the diesel engine, the maximum evaporated fuel concentration is near the cylinder wall where the flame starts, which is again consistent with the experiment.
Experimental and theoretical investigations of shock-induced flow of reactive porous media
Energy Technology Data Exchange (ETDEWEB)
Baer, M.R.; Graham, R.A.; Anderson, M.U. [Sandia National Labs., Albuquerque, NM (United States); Sheffield, S.A.; Gustavsen, R.L. [Los Alamos National Lab., NM (United States)
1996-11-01
In this work, the microscale processes of consolidation, deformation and reaction features of shocked porous materials are studied. Time- resolve particle velocities and stress fields associated with dispersive compaction waves are measured in gas-gun experiments. In these tests, a thin porous layer of HMX is shock-loaded at varied levels. At high impact, significant reaction is triggered by the rapid material distortion during compaction. In parallel modeling studies, continuum mixture theory is applied to describe the behavior of averaged wave-fields in heterogeneous media. One-dimensional simulations of gas-gun experiments demonstrate that the wave features and interactions with viscoelastic materials in the gauge package are well described by mixture theory, including reflected wave behavior and conditions where significant reaction is initiated. Numerical simulations of impact on a collection of discrete HMX `crystals` are also presented using shock physics analysis. Three-dimensional simulations indicate that rapid distortion occurs at material contact points; the nature of the dispersive fields includes large amplitude fluctuations of stress with wavelengths of several particle diameters. Localization of energy causes `hot-spots` due to shock focusing and plastic work as material flows into interstitial regions. These numerical experiments demonstrate that `hot-spots` are strongly influenced by multiple crystal interactions. This mesoscale study provides new insights into micromechanical behavior of heterogeneous energetic materials.
Traffic flow dynamics data, models and simulation
Treiber, Martin
2013-01-01
This textbook provides a comprehensive and instructive coverage of vehicular traffic flow dynamics and modeling. It makes this fascinating interdisciplinary topic, which to date was only documented in parts by specialized monographs, accessible to a broad readership. Numerous figures and problems with solutions help the reader to quickly understand and practice the presented concepts. This book is targeted at students of physics and traffic engineering and, more generally, also at students and professionals in computer science, mathematics, and interdisciplinary topics. It also offers material for project work in programming and simulation at college and university level. The main part, after presenting different categories of traffic data, is devoted to a mathematical description of the dynamics of traffic flow, covering macroscopic models which describe traffic in terms of density, as well as microscopic many-particle models in which each particle corresponds to a vehicle and its driver. Focus chapters on ...
Stationary spiral flow in polytropic stellar models
Pekeris, C. L.
1980-01-01
It is shown that, in addition to the static Emden solution, a self-gravitating polytropic gas has a dynamic option in which there is stationary flow along spiral trajectories wound around the surfaces of concentric tori. The motion is obtained as a solution of a partial differential equation which is satisfied by the meridional stream function, coupled with Poisson's equation and a Bernoulli-type equation for the pressure (density). The pressure is affected by the whole of the Bernoulli term rather than by the centrifugal part only, which acts for a rotating model, and it may be reduced down to zero at the center. The spiral type of flow is illustrated for an incompressible fluid (n = 0), for which an exact solution is obtained. The features of the dynamic constant-density model are discussed as a basis for future comparison with the solution for compressible models. PMID:16592825
Symposium on unsaturated flow and transport modeling
International Nuclear Information System (INIS)
Arnold, E.M.; Gee, G.W.; Nelson, R.W.
1982-09-01
This document records the proceedings of a symposium on flow and transport processes in partially saturated groundwater systems, conducted at the Battelle Seattle Research Center on March 22-24, 1982. The symposium was sponsored by the US Nuclear Regulatory Commission for the purpose of assessing the state-of-the-art of flow and transport modeling for use in licensing low-level nuclear waste repositories in partially saturated zones. The first day of the symposium centered around research in flow through partially saturated systems. Papers were presented with the opportunity for questions following each presentation. In addition, after all the talks, a formal panel discussion was held during which written questions were addressed to the panel of the days speakers. The second day of the Symposium was devoted to solute and contaminant transport in partially saturated media in an identical format. Individual papers are abstracted
Symposium on unsaturated flow and transport modeling
Energy Technology Data Exchange (ETDEWEB)
Arnold, E.M.; Gee, G.W.; Nelson, R.W. (eds.)
1982-09-01
This document records the proceedings of a symposium on flow and transport processes in partially saturated groundwater systems, conducted at the Battelle Seattle Research Center on March 22-24, 1982. The symposium was sponsored by the US Nuclear Regulatory Commission for the purpose of assessing the state-of-the-art of flow and transport modeling for use in licensing low-level nuclear waste repositories in partially saturated zones. The first day of the symposium centered around research in flow through partially saturated systems. Papers were presented with the opportunity for questions following each presentation. In addition, after all the talks, a formal panel discussion was held during which written questions were addressed to the panel of the days speakers. The second day of the Symposium was devoted to solute and contaminant transport in partially saturated media in an identical format. Individual papers are abstracted.
International Nuclear Information System (INIS)
Spycher, N.F.; Sonnenthal, E.L.; Apps, J.A.
2002-01-01
The evolution of fluid chemistry and mineral alteration around a potential waste emplacement tunnel (drift) is evaluated using numerical modeling. The model considers the flow of water, gas, and heat, plus reactions between minerals, CO 2 gas, and aqueous species, and porosity permeability-capillary pressure coupling for a dual permeability (fractures and matrix) medium. Two possible operating temperature modes are investigated: a ''high-temperature'' case with temperatures exceeding the boiling point of water for several hundred years, and a ''loW--temperature'' case with temperatures remaining below boiling for the entire life of the repository. In both cases, possible seepage waters are characterized by dilute to moderate salinities and mildly alkaline pH values. These trends in fluid composition and mineral alteration are controlled by various coupled mechanisms. For example, upon heating and boiling, CO 2 exsolution from pore waters raises pH and causes calcite precipitation. In condensation zones, this CO 2 redissolves, resulting in a decrease in pH that causes calcite dissolution and enhances feldspar alteration to clays. Heat also enhances dissolution of wallrock minerals leading to elevated silica concentrations. Amorphous silica precipitates through evaporative concentration caused by boiling in the high-temperature case, but does not precipitate in the loW--temperature case. Some alteration of feldspars to clays and zeolites is predicted in the high-temperature case. In both cases, calcite precipitates when percolating waters are heated near the drift. The predicted porosity decrease around drifts in the high-temperature case (several percent of the fracture volume) is larger by at least one order of magnitude than in the low temperature case. Although there are important differences between the two investigated temperature modes in the predicted evolution of fluid compositions and mineral alteration around drifts, these differences are small relative to
Mathematical model of melt flow channel granulator
Directory of Open Access Journals (Sweden)
A. A. Kiselev
2016-01-01
Full Text Available Granulation of carbohydrate-vitamin-mineral supplements based on molasses is performed at a high humidity (26 %, so for a stable operation of granulator it is necessary to reveal its melt flow pattern. To describe melt non-isothermal flow in the granulator a mathematical model with following initial equations: continuity equation, motion equation and rheological equation – was developed. The following assumptions were adopted: the melt flow in the granulator is a steady laminar flow; inertial and gravity forces can be ignored; melt is an incompressible fluid; velocity gradient in the flow direction is much smaller than in the transverse direction; the pressure gradient over the cross section of the channel is constant; the flow is hydrodynamically fully developed; effects impact on the channel inlet and outlet may be neglected. Due to the assumptions adopted, it can be considered that in this granulator only velocity components in the x-direction are significant and all the members of the equation with the components and their derivatives with respect to the coordinates y and z can be neglected. The resulting solutions were obtained: the equation for the mean velocity, the equation for determining the volume flow, the formula for calculating of mean time of the melt being in the granulator, the equation for determining the shear stress, the equation for determining the shear rate and the equation for determining the pressure loss. The results of calculations of the equations obtained are in complete agreement with the experimental data; deviation range is 16–19 %. The findings about the melt movement pattern in granulator allowed developing a methodology for calculating a rational design of the granulator molding unit.
Viscoelastic Flow Modelling for Polymer Flooding
de, Shauvik; Padding, Johan; Peters, Frank; Kuipers, Hans; Multi-scale Modelling of Multi-phase Flows Team
2015-11-01
Polymer liquids are used in the oil industry to improve the volumetric sweep and displacement efficiency of oil from a reservoir. Surprisingly, it is not only the viscosity but also the elasticity of the displacing fluid that determine the displacement efficiency. The main aim of our work is to obtain a fundamental understanding of the effect of fluid elasticity, by developing an advanced computer simulation methodology for the flow of non-Newtonian fluids through porous media. We simulate a 3D unsteady viscoelastic flow through a converging diverging geometry of realistic pore dimension using computational fluid dynamics (CFD).The primitive variables velocity, pressure and extra stresses are used in the formulation of models. The viscoelastic stress part is formulated using a FENE-P type of constitutive equation, which can predict both shear and elongational stress properties during this flow. A Direct Numerical Simulation (DNS) approach using Finite volume method (FVM) with staggered grid has been applied. A novel second order Immersed boundary method (IBM) has been incorporated to mimic porous media. The effect of rheological parameters on flow characteristics has also been studied. The simulations provide an insight into 3D flow asymmetry at higher Deborah numbers. Micro-Particle Image Velocimetry experiments are carried out to obtain further insights. These simulations present, for the first time, a detailed computational study of the effects of fluid elasticity on the imbibition of an oil phase.
Reactivation of latent herpes simplex virus infection by ultraviolet light: a human model
International Nuclear Information System (INIS)
Perna, J.J.; Mannix, M.L.; Rooney, J.F.; Notkins, A.L.; Straus, S.E.
1987-01-01
Infection with herpes simplex virus often results in a latent infection of local sensory ganglia and a disease characterized by periodic viral reactivation and mucocutaneous lesions. The factors that trigger reactivation in humans are still poorly defined. In our study, five patients with documented histories of recurrent herpes simplex virus infection on the buttocks or sacrum were exposed to three times their minimal erythema dose of ultraviolet light. Site-specific cutaneous herpes simplex virus infection occurred at 4.4 +/- 0.4 days after exposure to ultraviolet light in 8 of 13 attempts at reactivation. We conclude that ultraviolet light can reactivate herpes simplex virus under experimentally defined conditions. This model in humans should prove useful in evaluating the pathophysiology and prevention of viral reactivation
Reactive flow simulations in complex geometries with high-performance supercomputing
International Nuclear Information System (INIS)
Rehm, W.; Gerndt, M.; Jahn, W.; Vogelsang, R.; Binninger, B.; Herrmann, M.; Olivier, H.; Weber, M.
2000-01-01
In this paper, we report on a modern field code cluster consisting of state-of-the-art reactive Navier-Stokes- and reactive Euler solvers that has been developed on vector- and parallel supercomputers at the research center Juelich. This field code cluster is used for hydrogen safety analyses of technical systems, for example, in the field of nuclear reactor safety and conventional hydrogen demonstration plants with fuel cells. Emphasis is put on the assessment of combustion loads, which could result from slow, fast or rapid flames, including transition from deflagration to detonation. As a sample of proof tests, the special tools have been tested for specific tasks, based on the comparison of experimental and numerical results, which are in reasonable agreement. (author)
Comparison between the reactivity of coal and synthetic coal models
Energy Technology Data Exchange (ETDEWEB)
A. Arenillas; C. Pevida; F. Rubiera; J.J. Pis [Instituto Nacional del Carbon, CSIC, Oviedo (Spain)
2003-10-01
A mixture of carbon compounds was pyrolysed under an inert atmosphere at different temperatures in a fixed bed reactor. The resultant chars were characterised in terms of texture and thermal behaviour. Textural characterisation of the chars was carried out by N{sub 2} and CO{sub 2} adsorption isotherms at -196 and 0{sup o}C, respectively. Char isothermal reactivity in air at 500{sup o}C, and in CO{sub 2} at 1000{sup o}C, was performed in a thermogravimetric analyser (TGA). Temperature-programmed combustion tests under 20% oxygen in argon were also performed in the TGA linked to a mass spectrometer (TGA/MS). The results showed that char textural properties do not always relate well to their reactivity. Not only do physical properties (e.g. surface area, porosity) but also chemical properties (e.g. active sites concentration and distribution) play an important role in the reaction of carbonaceous material and oxidant. On the other hand, in terms of chemical composition the chars obtained from the mixture of carbon compounds were very similar to the chars produced under the same experimental conditions by a high volatile bituminous coal. The fact that carbon compounds are well known makes it easier to obtain knowledge about the functional groups present in synthetic char, and to study the mechanisms of heterogeneous reactions such as the reduction of NO with carbon. 13 refs., 8 figs., 3 tabs.
Energy Technology Data Exchange (ETDEWEB)
Xu, T.; Spycher, N.; Sonnenthal, E.; Zhang, G.; Zheng, L.; Pruess, K.
2010-08-01
TOUGHREACT is a numerical simulation program for chemically reactive non-isothermal flows of multiphase fluids in porous and fractured media, and was developed by introducing reactive chemistry into the multiphase fluid and heat flow simulator TOUGH2 V2. The first version of TOUGHREACT was released to the public through the U.S. Department of Energy's Energy Science and Technology Software Center (ESTSC) in August 2004. It is among the most frequently requested of ESTSC's codes. The code has been widely used for studies in CO{sub 2} geological sequestration, nuclear waste isolation, geothermal energy development, environmental remediation, and increasingly for petroleum applications. Over the past several years, many new capabilities have been developed, which were incorporated into Version 2 of TOUGHREACT. Major additions and improvements in Version 2 are discussed here, and two application examples are presented: (1) long-term fate of injected CO{sub 2} in a storage reservoir and (2) biogeochemical cycling of metals in mining-impacted lake sediments.
Modelling framework for groundwater flow at Sellafield
International Nuclear Information System (INIS)
Hooper, A.J.; Billington, D.E.; Herbert, A.W.
1995-01-01
The principal objective of Nirex is to develop a single deep geological repository for the safe disposal of low- and intermediate-level radioactive waste. In safety assessment, use is made of a variety of conceptual models that form the basis for modelling of the pathways by which radionuclides might return to the environment. In this paper, the development of a conceptual model for groundwater flow and transport through fractured rock on the various scales of interest is discussed. The approach is illustrated by considering how some aspects of the conceptual model are developed in particular numerical models. These representations of the conceptual model use fracture network geometries based on realistic rock properties. (author). refs., figs., tabs
Mathematical modeling of swirled flows in industrial applications
Dekterev, A. A.; Gavrilov, A. A.; Sentyabov, A. V.
2018-03-01
Swirled flows are widely used in technological devices. Swirling flows are characterized by a wide range of flow regimes. 3D mathematical modeling of flows is widely used in research and design. For correct mathematical modeling of such a flow, it is necessary to use turbulence models, which take into account important features of the flow. Based on the experience of computational modeling of a wide class of problems with swirling flows, recommendations on the use of turbulence models for calculating the applied problems are proposed.
Model comparisons of the reactive burn model SURF in three ASC codes
Energy Technology Data Exchange (ETDEWEB)
Whitley, Von Howard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stalsberg, Krista Lynn [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reichelt, Benjamin Lee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Shipley, Sarah Jayne [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2018-01-12
A study of the SURF reactive burn model was performed in FLAG, PAGOSA and XRAGE. In this study, three different shock-to-detonation transition experiments were modeled in each code. All three codes produced similar model results for all the experiments modeled and at all resolutions. Buildup-to-detonation time, particle velocities and resolution dependence of the models was notably similar between the codes. Given the current PBX 9502 equations of state and SURF calibrations, each code is equally capable of predicting the correct detonation time and distance when impacted by a 1D impactor at pressures ranging from 10-16 GPa, as long as the resolution of the mesh is not too coarse.
Large-eddy simulations of the non-reactive flow in the Sydney swirl burner
DEFF Research Database (Denmark)
Yang, Yang; Kær, Søren Knudsen
2012-01-01
results. In medium swirling case, there are two reverse-flow regions with a collar-like structure between them. The existence of strong unsteady structure, precessing vortex core, was proven. Coherent structures are detached from the instantaneous field. Q-criterion was used to visualize vorticity field...... with distinct clear structure of vortice tubes. Dominating spatial–temporal structures contained in different cross sections were extracted using proper orthogonal decomposition. In high swirling case, there is only one long reverse-flow region. In this paper, we proved the capability of a commercial CFD...... package in predicting complex flow field and presented the potential of large eddy simulation in understanding dynamics....
Second Law Analysis for a Variable Viscosity Reactive Couette Flow under Arrhenius Kinetics
Directory of Open Access Journals (Sweden)
N. S. Kobo
2010-01-01
Full Text Available This study investigates the inherent irreversibility associated with the Couette flow of a reacting variable viscosity combustible material under Arrhenius kinetics. The nonlinear equations of momentum and energy governing the flow system are solved both analytically using a perturbation method and numerically using the standard Newton Raphson shooting method along with a fourth-order Runge Kutta integration algorithm to obtain the velocity and temperature distributions which essentially expedite to obtain expressions for volumetric entropy generation numbers, irreversibility distribution ratio, and the Bejan number in the flow field.
Modelling aspects of two phase flow
International Nuclear Information System (INIS)
Mayinger, F.
1977-01-01
In two phase flow scaling is much more limited to very narrowly defined physical phenomena than in single phase fluids. For complex and combined phenomena it can be achieved not by using dimensionless numbers alone but in addition a detailed mathematical description of the physical problem - usually in the form of a computer program - must be available. An important role plays the scaling of the thermodynamic data of the modelling fluid. From a literature survey and from own scaling experiments the conclusion can be drawn that Freon is a quite suitable modelling fluid for scaling steam-water mixtures. However, whithout a theoretical description of the phenomena nondimensional numbers for scaling two phase flow must be handled very carefully. (orig.) [de
Directory of Open Access Journals (Sweden)
O. Faÿ-Gomord
2018-01-01
Full Text Available Flamborough Head chalks are located at the extremities of E-W and N-S trending fault systems along the Yorkshire coast (UK. Rock deformation is expressed in Selwicks Bay where a normal fault is exposed along with a high density of calcite veins. The fault mineralization is tested using geochemistry. Crosscutting relationships are used to differentiate between three vein generations: a network of parallel veins that are oriented perpendicular to stratigraphy (Group I, hydraulic breccia with typical jigsaw puzzle structure (Group II, and a third generation of calcite veins crosscutting the two previous generations (Group III. Geochemical analyses revealed that all three generations possess the same chemical signature and must reflect successive pulses from the same mineralizing fluid source. Strontium isotope analyses showed that the veins have elevated 87Sr/86Sr ratios, that is, up to 7.110, while ratios of the chalk matrix equal 7.707. The latter value is in agreement with the signature of Late Cretaceous seawater. Consequently, the source of the fluid is external, reflecting an open system. The radiogenic Sr-isotope ratios, combined with low iron concentration, suggest that fluids migrated through sandy deposits. Fluid inclusion salinities range from 0 to 12 eq. wt% NaCl equiv. with a dominance of very low salinity inclusions, reflecting a meteoric signal. This leads to a model where meteoric fluids stored in an underlying confined sandstone aquifer were remobilized. The wide range of salinities could result from mixing of the meteoric fluid with some more saline fluids present in the rock sequence or from the dissolution of salts in the subsurface. In addition to the understanding of the local paragenetic evolution of the veining in Flamborough Head chalks, this study offers an insight into the way how fluid flows and mineralizes along fault zones.
Modelling information flow along the human connectome using maximum flow.
Lyoo, Youngwook; Kim, Jieun E; Yoon, Sujung
2018-01-01
The human connectome is a complex network that transmits information between interlinked brain regions. Using graph theory, previously well-known network measures of integration between brain regions have been constructed under the key assumption that information flows strictly along the shortest paths possible between two nodes. However, it is now apparent that information does flow through non-shortest paths in many real-world networks such as cellular networks, social networks, and the internet. In the current hypothesis, we present a novel framework using the maximum flow to quantify information flow along all possible paths within the brain, so as to implement an analogy to network traffic. We hypothesize that the connection strengths of brain networks represent a limit on the amount of information that can flow through the connections per unit of time. This allows us to compute the maximum amount of information flow between two brain regions along all possible paths. Using this novel framework of maximum flow, previous network topological measures are expanded to account for information flow through non-shortest paths. The most important advantage of the current approach using maximum flow is that it can integrate the weighted connectivity data in a way that better reflects the real information flow of the brain network. The current framework and its concept regarding maximum flow provides insight on how network structure shapes information flow in contrast to graph theory, and suggests future applications such as investigating structural and functional connectomes at a neuronal level. Copyright © 2017 Elsevier Ltd. All rights reserved.
One-Dimensional Model for Mud Flows.
1985-10-01
law relation between the Chezy coefficient and the flow Reynolds number. Jeyapalan et al. [2], in their analysis of mine tailing dam failures...8217.. .: -:.. ; .r;./. : ... . :\\ :. . ... . RESULTS The model is compared with several dambreak experiments performed by Jeyapalan et al. [3]. In these...0.34 seconds per computational node. 5i Test 6 Test 2 Test 7 44 E 3 A2 Experimental Results0 Jeyapalan at al. (3) - C6- Numerical Results 4 8 12 i6 Time
Diffuse interface methods for multiphase flow modeling
International Nuclear Information System (INIS)
Jamet, D.
2004-01-01
Full text of publication follows:Nuclear reactor safety programs need to get a better description of some stages of identified incident or accident scenarios. For some of them, such as the reflooding of the core or the dryout of fuel rods, the heat, momentum and mass transfers taking place at the scale of droplets or bubbles are part of the key physical phenomena for which a better description is needed. Experiments are difficult to perform at these very small scales and direct numerical simulations is viewed as a promising way to give new insight into these complex two-phase flows. This type of simulations requires numerical methods that are accurate, efficient and easy to run in three space dimensions and on parallel computers. Despite many years of development, direct numerical simulation of two-phase flows is still very challenging, mostly because it requires solving moving boundary problems. To avoid this major difficulty, a new class of numerical methods is arising, called diffuse interface methods. These methods are based on physical theories dating back to van der Waals and mostly used in materials science. In these methods, interfaces separating two phases are modeled as continuous transitions zones instead of surfaces of discontinuity. Since all the physical variables encounter possibly strong but nevertheless always continuous variations across the interfacial zones, these methods virtually eliminate the difficult moving boundary problem. We show that these methods lead to a single-phase like system of equations, which makes it easier to code in 3D and to make parallel compared to more classical methods. The first method presented is dedicated to liquid-vapor flows with phase-change. It is based on the van der Waals' theory of capillarity. This method has been used to study nucleate boiling of a pure fluid and of dilute binary mixtures. We discuss the importance of the choice and the meaning of the order parameter, i.e. a scalar which discriminates one
On the modelling of shallow turbidity flows
Liapidevskii, Valery Yu.; Dutykh, Denys; Gisclon, Marguerite
2018-03-01
In this study we investigate shallow turbidity density currents and underflows from mechanical point of view. We propose a simple hyperbolic model for such flows. On one hand, our model is based on very basic conservation principles. On the other hand, the turbulent nature of the flow is also taken into account through the energy dissipation mechanism. Moreover, the mixing with the pure water along with sediments entrainment and deposition processes are considered, which makes the problem dynamically interesting. One of the main advantages of our model is that it requires the specification of only two modeling parameters - the rate of turbulent dissipation and the rate of the pure water entrainment. Consequently, the resulting model turns out to be very simple and self-consistent. This model is validated against several experimental data and several special classes of solutions (such as travelling, self-similar and steady) are constructed. Unsteady simulations show that some special solutions are realized as asymptotic long time states of dynamic trajectories.
Modelling debris flows down general channels
Directory of Open Access Journals (Sweden)
S. P. Pudasaini
2005-01-01
Full Text Available This paper is an extension of the single-phase cohesionless dry granular avalanche model over curved and twisted channels proposed by Pudasaini and Hutter (2003. It is a generalisation of the Savage and Hutter (1989, 1991 equations based on simple channel topography to a two-phase fluid-solid mixture of debris material. Important terms emerging from the correct treatment of the kinematic and dynamic boundary condition, and the variable basal topography are systematically taken into account. For vanishing fluid contribution and torsion-free channel topography our new model equations exactly degenerate to the previous Savage-Hutter model equations while such a degeneration was not possible by the Iverson and Denlinger (2001 model, which, in fact, also aimed to extend the Savage and Hutter model. The model equations of this paper have been rigorously derived; they include the effects of the curvature and torsion of the topography, generally for arbitrarily curved and twisted channels of variable channel width. The equations are put into a standard conservative form of partial differential equations. From these one can easily infer the importance and influence of the pore-fluid-pressure distribution in debris flow dynamics. The solid-phase is modelled by applying a Coulomb dry friction law whereas the fluid phase is assumed to be an incompressible Newtonian fluid. Input parameters of the equations are the internal and bed friction angles of the solid particles, the viscosity and volume fraction of the fluid, the total mixture density and the pore pressure distribution of the fluid at the bed. Given the bed topography and initial geometry and the initial velocity profile of the debris mixture, the model equations are able to describe the dynamics of the depth profile and bed parallel depth-averaged velocity distribution from the initial position to the final deposit. A shock capturing, total variation diminishing numerical scheme is implemented to
Review and selection of unsaturated flow models
Energy Technology Data Exchange (ETDEWEB)
NONE
1993-09-10
Under the US Department of Energy (DOE), the Civilian Radioactive Waste Management System Management and Operating Contractor (CRWMS M&O) has the responsibility to review, evaluate, and document existing computer ground-water flow models; to conduct performance assessments; and to develop performance assessment models, where necessary. In the area of scientific modeling, the M&O CRWMS has the following responsibilities: To provide overall management and integration of modeling activities. To provide a framework for focusing modeling and model development. To identify areas that require increased or decreased emphasis. To ensure that the tools necessary to conduct performance assessment are available. These responsibilities are being initiated through a three-step process. It consists of a thorough review of existing models, testing of models which best fit the established requirements, and making recommendations for future development that should be conducted. Future model enhancement will then focus on the models selected during this activity. Furthermore, in order to manage future model development, particularly in those areas requiring substantial enhancement, the three-step process will be updated and reported periodically in the future.
An introduction to multilevel flow modeling
DEFF Research Database (Denmark)
Lind, Morten
2011-01-01
Multilevel Flow Modeling (MFM) is a methodology for functional modeling of industrial processes on several interconnected levels of means-end and part-whole abstractions. The basic idea of MFM is to represent an industrial plant as a system which provides the means required to serve purposes in i...... in detail by a water mill example. The overall reasoning capabilities of MFM and its basis in cause-effect relations are also explained. The appendix contains an overview of MFM concepts and their definitions....
DEFF Research Database (Denmark)
Ding, Tao; Li, Cheng; Huang, Can
2018-01-01
–slave structure and improves traditional centralized modeling methods by alleviating the big data problem in a control center. Specifically, the transmission-distribution-network coordination issue of the hierarchical modeling method is investigated. First, a curve-fitting approach is developed to provide a cost......In order to solve the reactive power optimization with joint transmission and distribution networks, a hierarchical modeling method is proposed in this paper. It allows the reactive power optimization of transmission and distribution networks to be performed separately, leading to a master...... optimality. Numerical results on two test systems verify the effectiveness of the proposed hierarchical modeling and curve-fitting methods....
Stochastic modelling of two-phase flows including phase change
International Nuclear Information System (INIS)
Hurisse, O.; Minier, J.P.
2011-01-01
Stochastic modelling has already been developed and applied for single-phase flows and incompressible two-phase flows. In this article, we propose an extension of this modelling approach to two-phase flows including phase change (e.g. for steam-water flows). Two aspects are emphasised: a stochastic model accounting for phase transition and a modelling constraint which arises from volume conservation. To illustrate the whole approach, some remarks are eventually proposed for two-fluid models. (authors)
PDF modeling of turbulent flows on unstructured grids
Bakosi, Jozsef
modeling the dispersion of passive scalars in inhomogeneous turbulent flows. Two different micromixing models are investigated that incorporate the effect of small scale mixing on the transported scalar: the widely used interaction by exchange with the mean and the interaction by exchange with the conditional mean model. An adaptive algorithm to compute the velocity-conditioned scalar mean is proposed that homogenizes the statistical error over the sample space with no assumption on the shape of the underlying velocity PDF. The development also concentrates on a generally applicable micromixing timescale for complex flow domains. Several newly developed algorithms are described in detail that facilitate a stable numerical solution in arbitrarily complex flow geometries, including a stabilized mean-pressure projection scheme, the estimation of conditional and unconditional Eulerian statistics and their derivatives from stochastic particle fields employing finite element shapefunctions, particle tracking through unstructured grids, an efficient particle redistribution procedure and techniques related to efficient random number generation. The algorithm is validated and tested by computing three different turbulent flows: the fully developed turbulent channel flow, a street canyon (or cavity) flow and the turbulent wake behind a circular cylinder at a sub-critical Reynolds number. The solver has been parallelized and optimized for shared memory and multi-core architectures using the OpenMP standard. Relevant aspects of performance and parallelism on cache-based shared memory machines are discussed and presented in detail. The methodology shows great promise in the simulation of high-Reynolds-number incompressible inert or reactive turbulent flows in realistic configurations.
Modeling variability in porescale multiphase flow experiments
Ling, Bowen; Bao, Jie; Oostrom, Mart; Battiato, Ilenia; Tartakovsky, Alexandre M.
2017-07-01
Microfluidic devices and porescale numerical models are commonly used to study multiphase flow in biological, geological, and engineered porous materials. In this work, we perform a set of drainage and imbibition experiments in six identical microfluidic cells to study the reproducibility of multiphase flow experiments. We observe significant variations in the experimental results, which are smaller during the drainage stage and larger during the imbibition stage. We demonstrate that these variations are due to sub-porescale geometry differences in microcells (because of manufacturing defects) and variations in the boundary condition (i.e., fluctuations in the injection rate inherent to syringe pumps). Computational simulations are conducted using commercial software STAR-CCM+, both with constant and randomly varying injection rates. Stochastic simulations are able to capture variability in the experiments associated with the varying pump injection rate.
Modeling steam pressure under martian lava flows
Dundas, Colin M.; Keszthelyi, Laszlo P.
2013-01-01
Rootless cones on Mars are a valuable indicator of past interactions between lava and water. However, the details of the lava–water interactions are not fully understood, limiting the ability to use these features to infer new information about past water on Mars. We have developed a model for the pressurization of a dry layer of porous regolith by melting and boiling ground ice in the shallow subsurface. This model builds on previous models of lava cooling and melting of subsurface ice. We find that for reasonable regolith properties and ice depths of decimeters, explosive pressures can be reached. However, the energy stored within such lags is insufficient to excavate thick flows unless they draw steam from a broader region than the local eruption site. These results indicate that lag pressurization can drive rootless cone formation under favorable circumstances, but in other instances molten fuel–coolant interactions are probably required. We use the model results to consider a range of scenarios for rootless cone formation in Athabasca Valles. Pressure buildup by melting and boiling ice under a desiccated lag is possible in some locations, consistent with the expected distribution of ice implanted from atmospheric water vapor. However, it is uncertain whether such ice has existed in the vicinity of Athabasca Valles in recent history. Plausible alternative sources include surface snow or an aqueous flood shortly before the emplacement of the lava flow.
Klunder, G.; Li, M.; Minderhoud, M.
2009-01-01
In 2006 in the Netherlands, a field operational test was carried out to study the effect of adaptive cruise control (ACC) and lane departure warning on driver behavior and traffic flow in real traffic. To estimate the effect for larger penetration rates, simulations were needed. For a reliable
Large-eddy simulations of the non-reactive flow in the Sydney swirl burner
International Nuclear Information System (INIS)
Yang Yang; Kær, Søren Knudsen
2012-01-01
Highlights: ► Rational mesh and grid system for LES are discussed. ► Validated results are provided and discrepancy of mean radial velocity component is discussed. ► Flow structures are identified using vorticity field. ► We performed POD on cross sections to assist in understanding of coherent structures. - Abstract: This paper presents a numerical investigation using large-eddy simulation. Two isothermal cases from the Sydney swirling flame database with different swirl numbers were tested. Rational grid system and mesh details were presented firstly. Validations showed overall good agreement in time averaged results. In medium swirling case, there are two reverse-flow regions with a collar-like structure between them. The existence of strong unsteady structure, precessing vortex core, was proven. Coherent structures are detached from the instantaneous field. Q-criterion was used to visualize vorticity field with distinct clear structure of vortice tubes. Dominating spatial–temporal structures contained in different cross sections were extracted using proper orthogonal decomposition. In high swirling case, there is only one long reverse-flow region. In this paper, we proved the capability of a commercial CFD package in predicting complex flow field and presented the potential of large eddy simulation in understanding dynamics.
Macedo-Filho, A.; Alves, G. A.; Costa Filho, R. N.; Alves, T. F. A.
2018-04-01
We investigated the susceptible-infected-susceptible model on a square lattice in the presence of a conjugated field based on recently proposed reactivating dynamics. Reactivating dynamics consists of reactivating the infection by adding one infected site, chosen randomly when the infection dies out, avoiding the dynamics being trapped in the absorbing state. We show that the reactivating dynamics can be interpreted as the usual dynamics performed in the presence of an effective conjugated field, named the reactivating field. The reactivating field scales as the inverse of the lattice number of vertices n, which vanishes at the thermodynamic limit and does not affect any scaling properties including ones related to the conjugated field.
Wahid, A.; Putra, I. G. E. P.
2018-03-01
Dimethyl ether (DME) as an alternative clean energy has attracted a growing attention in the recent years. DME production via reactive distillation has potential for capital cost and energy requirement savings. However, combination of reaction and distillation on a single column makes reactive distillation process a very complex multivariable system with high non-linearity of process and strong interaction between process variables. This study investigates a multivariable model predictive control (MPC) based on two-point temperature control strategy for the DME reactive distillation column to maintain the purities of both product streams. The process model is estimated by a first order plus dead time model. The DME and water purity is maintained by controlling a stage temperature in rectifying and stripping section, respectively. The result shows that the model predictive controller performed faster responses compared to conventional PI controller that are showed by the smaller ISE values. In addition, the MPC controller is able to handle the loop interactions well.
TEVA-SPOT-GUI - Containing Preliminary Flow Model
U.S. Environmental Protection Agency — This ZIP file contains the developmental, test version of TEVA-SPOT-GUI's Flow Model. The Flow Model is a new, event based water quality algorithm for EPANET. The...
International Nuclear Information System (INIS)
Bansal, R.C.
2008-01-01
This paper presents an artificial neural network (ANN) based approach to tune the parameters of the static var compensator (SVC) reactive power controller over a wide range of typical load model parameters. The gains of PI (proportional integral) based SVC are optimised for typical values of the load voltage characteristics (n q ) by conventional techniques. Using the generated data, the method of multi-layer feed forward ANN with error back propagation training is employed to tune the parameters of the SVC. An ANN tuned SVC controller has been applied to control the reactive power of a variable slip/speed isolated wind-diesel hybrid power system. It is observed that the maximum deviations of all parameters are more for larger values of n q . It has been shown that initially synchronous generator supplies the reactive power required by the induction generator and/or load, and the latter reactive power is purely supplied by the SVC
Energy Technology Data Exchange (ETDEWEB)
Bansal, R.C. [Electrical and Electronics Engineering Division, School of Engineering and Physics, The University of the South Pacific, Suva (Fiji)
2008-02-15
This paper presents an artificial neural network (ANN) based approach to tune the parameters of the static var compensator (SVC) reactive power controller over a wide range of typical load model parameters. The gains of PI (proportional integral) based SVC are optimised for typical values of the load voltage characteristics (n{sub q}) by conventional techniques. Using the generated data, the method of multi-layer feed forward ANN with error back propagation training is employed to tune the parameters of the SVC. An ANN tuned SVC controller has been applied to control the reactive power of a variable slip/speed isolated wind-diesel hybrid power system. It is observed that the maximum deviations of all parameters are more for larger values of n{sub q}. It has been shown that initially synchronous generator supplies the reactive power required by the induction generator and/or load, and the latter reactive power is purely supplied by the SVC. (author)
Stress and Sleep Reactivity: A Prospective Investigation of the Stress-Diathesis Model of Insomnia
Drake, Christopher L.; Pillai, Vivek; Roth, Thomas
2014-01-01
Study Objectives: To prospectively assess sleep reactivity as a diathesis of insomnia, and to delineate the interaction between this diathesis and naturalistic stress in the development of insomnia among normal sleepers. Design: Longitudinal. Setting: Community-based. Participants: 2,316 adults from the Evolution of Pathways to Insomnia Cohort (EPIC) with no history of insomnia or depression (46.8 ± 13.2 y; 60% female). Interventions: None. Measurements and Results: Participants reported the number of stressful events they encountered at baseline (Time 1), as well as the level of cognitive intrusion they experienced in response to each stressor. Stressful events (OR = 1.13; P insomnia one year hence (Time 2). Intrusion mediated the effects of stressful events on risk for insomnia (P insomnia (OR = 1.78; P insomnia as a function of intrusion was significantly higher in individuals with high sleep reactivity. Trait sleep reactivity also constituted a significant risk for depression (OR = 1.67; P Insomnia at Time 2 significantly mediated this effect (P insomnia, and that it triggers insomnia by exacerbating the effects of stress-induced intrusion. Sleep reactivity is also a precipitant of depression, as mediated by insomnia. These findings support the stress-diathesis model of insomnia, while highlighting sleep reactivity as an important diathesis. Citation: Drake CL, Pillai V, Roth T. Stress and sleep reactivity: a prospective investigation of the stress-diathesis model of insomnia. SLEEP 2014;37(8):1295-1304. PMID:25083009
Consequence Reasoning in Multilevel Flow Modelling
DEFF Research Database (Denmark)
Zhang, Xinxin; Lind, Morten; Ravn, Ole
2013-01-01
Consequence reasoning is a major element for operation support system to assess the plant situations. The purpose of this paper is to elaborate how Multilevel Flow Models can be used to reason about consequences of disturbances in complex engineering systems. MFM is a modelling methodology...... for representing process knowledge for complex systems. It represents the system by using means-end and part-whole decompositions, and describes not only the purposes and functions of the system but also the causal relations between them. Thus MFM is a tool for causal reasoning. The paper introduces MFM modelling...... syntax and gives detailed reasoning formulas for consequence reasoning. The reasoning formulas offers basis for developing rule-based system to perform consequence reasoning based on MFM, which can be used for alarm design, risk monitoring, and supervision and operation support system design....
Bang-bang Model for Regulation of Local Blood Flow
Golub, Aleksander S.; Pittman, Roland N.
2013-01-01
The classical model of metabolic regulation of blood flow in muscle tissue implies the maintenance of basal tone in arterioles of resting muscle and their dilation in response to exercise and/or tissue hypoxia via the evoked production of vasodilator metabolites by myocytes. A century-long effort to identify specific metabolites responsible for explaining active and reactive hyperemia has not been successful. Furthermore, the metabolic theory is not compatible with new knowledge on the role of physiological radicals (e.g., nitric oxide, NO, and superoxide anion, O2−) in the regulation of microvascular tone. We propose a model of regulation in which muscle contraction and active hyperemia are considered the physiologically normal state. We employ the “bang-bang” or “on/off” regulatory model which makes use of a threshold and hysteresis; a float valve to control the water level in a tank is a common example of this type of regulation. Active bang-bang regulation comes into effect when the supply of oxygen and glucose exceeds the demand, leading to activation of membrane NADPH oxidase, release of O2− into the interstitial space and subsequent neutralization of the interstitial NO. Switching arterioles on/off when local blood flow crosses the threshold is realized by a local cell circuit with the properties of a bang-bang controller, determined by its threshold, hysteresis and dead-band. This model provides a clear and unambiguous interpretation of the mechanism to balance tissue demand with a sufficient supply of nutrients and oxygen. PMID:23441827
Traffic flow dynamics. Data, models and simulation
Energy Technology Data Exchange (ETDEWEB)
Treiber, Martin [Technische Univ. Dresden (Germany). Inst. fuer Wirtschaft und Verkehr; Kesting, Arne [TomTom Development Germany GmbH, Berlin (Germany)
2013-07-01
First comprehensive textbook of this fascinating interdisciplinary topic which explains advances in a way that it is easily accessible to engineering, physics and math students. Presents practical applications of traffic theory such as driving behavior, stability analysis, stop-and-go waves, and travel time estimation. Presents the topic in a novel and systematic way by addressing both microscopic and macroscopic models with a focus on traffic instabilities. Revised and extended edition of the German textbook ''Verkehrsdynamik und -simulation''. This textbook provides a comprehensive and instructive coverage of vehicular traffic flow dynamics and modeling. It makes this fascinating interdisciplinary topic, which to date was only documented in parts by specialized monographs, accessible to a broad readership. Numerous figures and problems with solutions help the reader to quickly understand and practice the presented concepts. This book is targeted at students of physics and traffic engineering and, more generally, also at students and professionals in computer science, mathematics, and interdisciplinary topics. It also offers material for project work in programming and simulation at college and university level. The main part, after presenting different categories of traffic data, is devoted to a mathematical description of the dynamics of traffic flow, covering macroscopic models which describe traffic in terms of density, as well as microscopic many-particle models in which each particle corresponds to a vehicle and its driver. Focus chapters on traffic instabilities and model calibration/validation present these topics in a novel and systematic way. Finally, the theoretical framework is shown at work in selected applications such as traffic-state and travel-time estimation, intelligent transportation systems, traffic operations management, and a detailed physics-based model for fuel consumption and emissions.
International Nuclear Information System (INIS)
Wanner, Christoph; Eggenberger, Urs; Mäder, Urs
2012-01-01
A 2D horizontal reactive transport model of a chromate-contaminated site near Rivera, Switzerland, was developed using the computer code CrunchFlow to evaluate site remediation strategies. Transport processes were defined according to the results of an existing hydrological model, and the definition of geochemical (reactive) processes is based on the results of a detailed mineralogical and geochemical site characterization leading to a comprehensive conceptual site model. Kinetics of naturally occurring Cr(VI) reduction by Fe(II) and natural solid organic matter is quantified by fitting measured Cr isotope ratios to a modeled 1D section along the best constrained flow line. The simulation of Cr isotope fractionation was also incorporated into the 2D model. Simulation of the measured present day Cr(VI) plume and δ 53 Cr value distribution was used for the 2D model calibration and corresponds to a situation where only monitored natural attenuation (MNA) is occurring. Other 2D model runs simulate alternate excavation scenarios. The simulations show that with an excavation of the top 2–4 m the groundwater Cr(VI) plume can be minimized, and that a deeper excavation depth only diminishes the plume if all the contaminants can be removed. A combination of an excavation of the top 2–4 m and monitoring of the ongoing natural Cr(VI) reduction is suggested as the most ecological and economical remediation strategy, even though a remaining time period with ongoing subsoil Cr(VI) contamination in the order of 1 ka is predicted.
Modeling reproducibility of porescale multiphase flow experiments
Ling, B.; Tartakovsky, A. M.; Bao, J.; Oostrom, M.; Battiato, I.
2017-12-01
Multi-phase flow in porous media is widely encountered in geological systems. Understanding immiscible fluid displacement is crucial for processes including, but not limited to, CO2 sequestration, non-aqueous phase liquid contamination and oil recovery. Microfluidic devices and porescale numerical models are commonly used to study multiphase flow in biological, geological, and engineered porous materials. In this work, we perform a set of drainage and imbibition experiments in six identical microfluidic cells to study the reproducibility of multiphase flow experiments. We observe significant variations in the experimental results, which are smaller during the drainage stage and larger during the imbibition stage. We demonstrate that these variations are due to sub-porescale geometry differences in microcells (because of manufacturing defects) and variations in the boundary condition (i.e.,fluctuations in the injection rate inherent to syringe pumps). Computational simulations are conducted using commercial software STAR-CCM+, both with constant and randomly varying injection rate. Stochastic simulations are able to capture variability in the experiments associated with the varying pump injection rate.
Zhang, Y.; Zhang, G.; Lu, P.; Hu, B.; Zhu, C.
2017-12-01
The extent of CO2 mineralization after CO2 injection into deep saline aquifers is a result of the complex coupling of multiphase fluid flow, mass transport, and brine-mineral reactions. The effects of dissolution rate laws and groundwater flow on the long-term fate of CO2 have been seriously overlooked. To investigate these effects, we conducted multiphase (CO2 and brine) coupled reactive transport modeling of CO2 storage in two sandy formations (Utsira Sand, Norway1,2 and Mt. Simon formation, USA 3) using ToughReact and simulated a series of scenarios. The results indicated that: (1) Different dissolution rate laws for feldspars can significantly affect the amount of CO2 mineralization. Increased feldspar dissolution will promote CO2 mineral trapping through the coupling between feldspar dissolution and carbonate mineral precipitation at raised pH. The predicted amount of CO2 mineral trapping when using the principle of detailed balancing-based rate law for feldspar dissolution is about twice as much as that when using sigmoidal rate laws in the literature. (2) Mineral trapping is twice as much when regional groundwater flow is taken into consideration in long-term simulations (e.g., 10,000 years) whereas most modeling studies neglected the regional groundwater flow back and effectively simulated a batch reactor process. Under the influence of regional groundwater flow, the fresh brine from upstream continuously dissolves CO2 at the tail of CO2 plume, generating a large acidified area where large amount of CO2 mineralization takes place. The upstream replenishment of groundwater results in ˜22% mineral trapping at year 10,000, compared to ˜4% when this effect is ignored. Refs: 1Zhang, G., Lu, P., Wei, X., Zhu, C. (2016). Impacts of Mineral Reaction Kinetics and Regional Groundwater Flow on Long-Term CO2 Fate at Sleipner. Energy & Fuels, 30(5), 4159-4180. 2Zhu, C., Zhang, G., Lu, P., Meng, L., Ji, X. (2015). Benchmark modeling of the Sleipner CO2 plume
Studies on flow induced vibration of reactivity devices of 700 MWe Indian PHWR
Energy Technology Data Exchange (ETDEWEB)
Prabhakaran, K.M., E-mail: kmprabha@yahoo.com [Reactor Safety Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Goyal, P.; Dutta, Anu; Bhasin, V.; Vaze, K.K.; Ghosh, A.K. [Reactor Safety Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Pillai, Ajith V.; Mathew, Jimmy [Nuclear Power Corporation of India Ltd., Mumbai 400 094 (India)
2012-03-15
Highlights: Black-Right-Pointing-Pointer FIV studies on internals of heavy water filled calandria of 700 MWe Indian PHWR is presented. Black-Right-Pointing-Pointer This includes CFD and structural dynamic analysis to predict the dynamic behavior of component lying inside calandria. Black-Right-Pointing-Pointer Results of these calculations as well as conclusions from this investigation are presented. Black-Right-Pointing-Pointer It is established that FIV is not a concern in the present design of calandria internals. - Abstract: Component failures due to excessive flow-induced vibration are still affecting the performance and reliability of nuclear power stations. Tube failures due to fretting-wear in nuclear steam generators, and vibration related damage of reactor internals are of particular concern. In the Indian nuclear industry, flow induced vibrations are assessed early in the design process and the results are incorporated in the design procedures. In this paper the details of flow induced vibration studies on internals like liquid zone control unit and poison injection units of heavy water filled calandria of 700 MWe Indian pressurized heavy water reactor is given. This includes computational fluid dynamics studies from which the velocities are extracted for the components lying inside the calandria. With these velocities as input, further studies are performed to predict the dynamic behavior of these components. Results of these calculations as well as conclusions derived from this investigation are presented. Based on the studies it has been established that flow induced vibration is not a concern in the present design of 700 MWe calandria internals.
Development of a reactive burn model based upon an explicit visco-plastic pore collapse model
Bouton, Eric; Lefrançois, Alexandre; Belmas, Robert
2015-06-01
Our aim in this study is to develop a reactive burn model based upon a microscopic hot spot model to compute the initiation and shock to detonation of pressed TATB explosives. For the sake of simplicity, the hot spots are supposed to result from the viscoplastic collapse of spherical micro-voids inside the composition. Such a model has been incorporated in a lagrangian hydrodynamic code. In our calculations, 8 different pore diameters, ranging from 100 nm to 1.2 μm, have been taken into account and the porosity associated to each pore size has been deduced from the PBX-9502 void distribution derived from the SAXS. The last ingredient of our model is the burn rate that depends on two main variables. The first one is the shock pressure as proposed by the developers of the CREST model. The second one is the number of effective chemical reaction sites calculated by the microscopic model. Furthermore, the function of the reaction progress variable of the burn rate is similar to that in the SURF model proposed by Menikoff. Our burn rate has been calibrated by using pressure profile, material velocities wave forms obtained with embedded particle velocity gauges and run distance to detonation. The comparison between the numerical and experimental results is really good and sufficient to perform a wide variety of simulations including single, double shock waves and the desensitization phenomenon. In conclusion, future works are described.
Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.
2013-01-01
A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the
Conceptual and Numerical Models for UZ Flow and Transport
International Nuclear Information System (INIS)
Liu, H.
2000-01-01
The purpose of this Analysis/Model Report (AMR) is to document the conceptual and numerical models used for modeling of unsaturated zone (UZ) fluid (water and air) flow and solute transport processes. This is in accordance with ''AMR Development Plan for U0030 Conceptual and Numerical Models for Unsaturated Zone (UZ) Flow and Transport Processes, Rev 00''. The conceptual and numerical modeling approaches described in this AMR are used for models of UZ flow and transport in fractured, unsaturated rock under ambient and thermal conditions, which are documented in separate AMRs. This AMR supports the UZ Flow and Transport Process Model Report (PMR), the Near Field Environment PMR, and the following models: Calibrated Properties Model; UZ Flow Models and Submodels; Mountain-Scale Coupled Processes Model; Thermal-Hydrologic-Chemical (THC) Seepage Model; Drift Scale Test (DST) THC Model; Seepage Model for Performance Assessment (PA); and UZ Radionuclide Transport Models
RS-Predictor models augmented with SMARTCyp reactivities
DEFF Research Database (Denmark)
Zaretzki, Jed; Rydberg, Patrik; Bergeron, Charles
2012-01-01
(82.3%) and merged(86.0%). Comprehensive datamining of each substrate set and careful statistical analyses of the predictions made by the different models revealed new insights into molecular features that control metabolic regioselectivity and enable accurate prospective prediction of likely SOMs.......RS-Predictor is a tool for creating pathway-independent, isozyme-specific site of metabolism (SOM) prediction models using any set of known cytochrome P450 substrates and metabolites. Until now, the RS-Predictor method was only trained and validated on CYP 3A4 data, but in the present study we...... report on the versatility the RS-Predictor modeling paradigm by creating and testing regioselectivity models for substrates of the nine most important CYP isozymes. Through curation of source literature, we have assembled 680 substrates distributed among CYPs 1A2, 2A6, 2B6, 2C19, 2C8, 2C9, 2D6, 2E1 and 3...
Murray, L. T.; Strode, S. A.; Fiore, A. M.; Lamarque, J. F.; Prather, M. J.; Thompson, C. R.; Peischl, J.; Ryerson, T. B.; Allen, H.; Blake, D. R.; Crounse, J. D.; Brune, W. H.; Elkins, J. W.; Hall, S. R.; Hintsa, E. J.; Huey, L. G.; Kim, M. J.; Moore, F. L.; Ullmann, K.; Wennberg, P. O.; Wofsy, S. C.
2017-12-01
Nitrogen oxides (NOx ≡ NO + NO2) in the background atmosphere are critical precursors for the formation of tropospheric ozone and OH, thereby exerting strong influence on surface air quality, reactive greenhouse gases, and ecosystem health. The impact of NOx on atmospheric composition and climate is sensitive to the relative partitioning of reactive nitrogen between NOx and longer-lived reservoir species of the total reactive nitrogen family (NOy) such as HNO3, HNO4, PAN and organic nitrates (RONO2). Unfortunately, global chemistry-climate models (CCMs) and chemistry-transport models (CTMs) have historically disagreed in their reactive nitrogen budgets outside of polluted continental regions, and we have lacked in situ observations with which to evaluate them. Here, we compare and evaluate the NOy budget of six global models (GEOS-Chem CTM, GFDL AM3 CCM, GISS E2.1 CCM, GMI CTM, NCAR CAM CCM, and UCI CTM) using new observations of total reactive nitrogen and its member species from the NASA Atmospheric Tomography (ATom) mission. ATom has now completed two of its four planned deployments sampling the remote Pacific and Atlantic basins of both hemispheres with a comprehensive suite of measurements for constraining reactive photochemistry. All six models have simulated conditions climatologically similar to the deployments. The GMI and GEOS-Chem CTMs have in addition performed hindcast simulations using the MERRA-2 reanalysis, and have been sampled along the flight tracks. We evaluate the performance of the models relative to the observations, and identify factors contributing to their disparate behavior using known differences in model oxidation mechanisms, heterogeneous loss pathways, lightning and surface emissions, and physical loss processes.
Delayed complications after flow-diverter stenting: reactive in-stent stenosis and creeping stents.
Cohen, José E; Gomori, John Moshe; Moscovici, Samuel; Leker, Ronen R; Itshayek, Eyal
2014-07-01
We assessed the frequency and severity of changes in stent configuration and location after the treatment of intracranial aneurysms, and patterns of in-stent stenosis. We retrospectively reviewed data for consecutive aneurysm patients managed with endovascular implantation of flow-diverter stents (Silk Flow Diverter [Balt Extrusion, Montmorency, France] and Pipeline Embolization Device [ev3/Coviden, Minneapolis, MN, USA]) from October 2011 to July 2012. Routine 2, 6, 9-12, and 16-20 month follow-up angiograms were compared, with a focus on changes in stent configuration and location from immediately after deployment to angiographic follow-up, and the incidence and development of in-stent stenosis. Thirty-four patients with 42 aneurysms met inclusion criteria. The Silk device was implanted in 16 patients (47%, single device in 15), the Pipeline device in 18 (53%, single device in 16). On first follow-up angiography, in-stent stenosis was observed in 38% of Silk devices and 39% of Pipeline devices. In-stent stenosis was asymptomatic in 12 of 13 patients. One woman presented with transient ischemic attacks and required stent angioplasty due to end tapering and mild, diffuse in-stent stenosis. Configuration and location changes, including stent creeping and end tapering were seen in 2/16 patients (13%) with Silk devices, and 0/18 patients with Pipeline devices. We describe stent creeping and end tapering as unusual findings with the potential for delayed clinical complications. In-stent stenosis, with a unique behavior, is a frequent angiographic finding observed after flow-diverter stent implant. The stenosis is usually asymptomatic; however, close clinical and angiographic monitoring is mandatory for individualized management. Copyright © 2013 Elsevier Ltd. All rights reserved.
Karlsen, R. H.; Smits, F. J. C.; Stuyfzand, P. J.; Olsthoorn, T. N.; van Breukelen, B. M.
2012-08-01
SummaryThis article describes the post audit and inverse modeling of a 1-D forward reactive transport model. The model simulates the changes in water quality following artificial recharge of pre-treated water from the river Rhine in the Amsterdam Water Supply Dunes using the PHREEQC-2 numerical code. One observation dataset is used for model calibration, and another dataset for validation of model predictions. The total simulation time of the model is 50 years, from 1957 to 2007, with recharge composition varying on a monthly basis and the post audit is performed 26 years after the former model simulation period. The post audit revealed that the original model could reasonably predict conservative transport and kinetic redox reactions (oxygen and nitrate reduction coupled to the oxidation of soil organic carbon), but showed discrepancies in the simulation of cation exchange. Conceptualizations of the former model were inadequate to accurately simulate water quality changes controlled by cation exchange, especially concerning the breakthrough of potassium and magnesium fronts. Changes in conceptualization and model design, including the addition of five flow paths, to a total of six, and the use of parameter estimation software (PEST), resulted in a better model to measurement fit and system representation. No unique parameter set could be found for the model, primarily due to high parameter correlations, and an assessment of the predictive error was made using a calibration constrained Monte-Carlo method, and evaluated against field observations. The predictive error was found to be low for Na+ and Ca2+, except for greater travel times, while the K+ and Mg2+ error was restricted to the exchange fronts at some of the flow paths. Optimized cation exchange coefficients were relatively high, especially for potassium, but still within the observed range in literature. The exchange coefficient for potassium agrees with strong fixation on illite, a main clay mineral in
Cerebral blood flow and carbon dioxide reactivity in children with bacterial meningitis
International Nuclear Information System (INIS)
Ashwal, S.; Stringer, W.; Tomasi, L.; Schneider, S.; Thompson, J.; Perkin, R.
1990-01-01
We examined total and regional cerebral blood flow (CBF) by stable xenon computed tomography in 20 seriously ill children with acute bacterial meningitis to determine whether CBF was reduced and to examine the changes in CBF during hyperventilation. In 13 children, total CBF was normal (62 +/- 20 ml/min/100 gm) but marked local variability of flow was seen. In five other children, total CBF was significantly reduced (26 +/- 10 ml/min/100 gm; p less than 0.05), with flow reduced more in white matter (8 +/- 5 ml/min/100 gm) than in gray matter (30 +/- 15 ml/min/100 gm). Autoregulation of CBF appeared to be present in these 18 children within a range of mean arterial blood pressure from 56 to 102 mm Hg. In the remaining two infants, brain dead within the first 24 hours, total flow was uniformly absent, averaging 3 +/- 3 ml/min/100 gm. In seven children, CBF was determined at two carbon dioxide tension (PCO2) levels: 40 (+/- 3) mm Hg and 29 (+/- 3) mm Hg. In six children, total CBF decreased 33%, from 52 (+/- 25) to 35 (+/- 15) ml/min/100 gm; the mean percentage of change in CBF per millimeter of mercury of PCO2 was 3.0%. Regional variability of perfusion to changes in PCO2 was marked in all six children. The percentage of change in CBF per millimeter of mercury of PCO2 was similar in frontal gray matter (3.1%) but higher in white matter (4.5%). In the seventh patient a paradoxical response was observed; total and regional CBF increased 25% after hyperventilation. Our findings demonstrate that (1) CBF in children with bacterial meningitis may be substantially decreased globally, with even more variability noted regionally, (2) autoregulation of CBF is preserved, (3) CBF/CO2 responsitivity varies among patients and in different regions of the brain in the same patient, and (4) hyperventilation can reduce CBF below ischemic thresholds
An introduction to multilevel flow modeling
International Nuclear Information System (INIS)
Lind, Morten
2011-01-01
Multilevel Flow Modeling (MFM) is a methodology for functional modeling of industrial processes on several interconnected levels of means-end and part-whole abstractions. The basic idea of MFM is to represent an industrial plant as a system which provides the means required to serve purposes in its environment. MFM has a primary focus on plant goals and functions and provide a methodological way of using those concepts to represent complex industrial plant. The paper gives a brief introduction to the historical development, introduces the concepts of MFM and presents the application of the concepts in detail by a water mill example. The overall reasoning capabilities of MFM and its basis in cause-effect relations are also explained. The appendix contains an overview of MFM concepts and their definitions. (author)
Increased airway reactivity in a neonatal mouse model of Continuous Positive Airway Pressure (CPAP)
Mayer, Catherine A.; Martin, Richard J.; MacFarlane, Peter M.
2015-01-01
Background Continuous positive airway pressure (CPAP) is a primary form of respiratory support used in the intensive care of preterm infants, but its long-term effects on airway (AW) function are unknown. Methods We developed a neonatal mouse model of CPAP treatment to determine whether it modifies later AW reactivity. Un-anesthetized spontaneously breathing mice were fitted with a mask to deliver CPAP (6cmH2O, 3hrs/day) for 7 consecutive days starting at postnatal day 1. Airway reactivity to methacholine was assessed using the in vitro living lung slice preparation. Results One week of CPAP increased AW responsiveness to methacholine in male, but not female mice, compared to untreated control animals. The AW hyper-reactivity of male mice persisted for 2 weeks (at P21) after CPAP treatment ended. 4 days of CPAP, however, did not significantly increase AW reactivity. Females also exhibited AW hyper-reactivity at P21, suggesting a delayed response to early (7 days) CPAP treatment. The effects of 7 days of CPAP on hyper-reactivity to methacholine were unique to smaller AWs whereas larger ones were relatively unaffected. Conclusion These data may be important to our understanding of the potential long-term consequences of neonatal CPAP therapy used in the intensive care of preterm infants. PMID:25950451
Dynamic Modeling Strategy for Flow Regime Transition in Gas-Liquid Two-Phase Flows
Directory of Open Access Journals (Sweden)
Xia Wang
2012-12-01
Full Text Available In modeling gas-liquid two-phase flows, the concept of flow regimes has been widely used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are flow regime dependent. Current nuclear reactor safety analysis codes, such as RELAP5, classify flow regimes using flow regime maps or transition criteria that were developed for steady-state, fully-developed flows. As two-phase flows are dynamic in nature, it is important to model the flow regime transitions dynamically to more accurately predict the two-phase flows. The present work aims to develop a dynamic modeling strategy to determine flow regimes in gas-liquid two-phase flows through introduction of interfacial area transport equations (IATEs within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation of the interfacial area, fluid particle (bubble or liquid droplet disintegration, boiling and evaporation, and the destruction of the interfacial area, fluid particle coalescence and condensation. For flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shapes, namely group-1 and group-2 bubbles. A preliminary approach to dynamically identify the flow regimes is discussed, in which discriminators are based on the predicted information, such as the void fraction and interfacial area concentration. The flow regime predicted with this method shows good agreement with the experimental observations.
Modeling Of A Reactive Distillation Column: Methyl Tertiary Butyl Ether (Mtbe Simulation Studies
Directory of Open Access Journals (Sweden)
Ismail Mohd Saaid Abdul Rahman Mohamed and Subhash Bhatia
2012-10-01
Full Text Available A process simulation stage-wise reactive distillation column model formulated from equilibrium stage theory was developed. The algorithm for solving mathematical model represented by sets of differential-algebraic equations was based on relaxation method. Numerical integration scheme based on backward differentiation formula was selected for solving the stiffness of differential-algebraic equations. Simulations were performed on a personal computer (PC Pentium processor through a developed computer program using FORTRAN90 programming language. The proposed model was validated by comparing the simulated results with the published simulation results and with the pilot plant data from the literature. The model was capable of predicting high isobutene conversion for heterogeneous system, as desirable in industrial MTBE production process. The comparisons on temperature profiles, liquid composition profile and operating conditions of reactive distillation column also showed promising results. Therefore the proposed model can be used as a tool for the development and simulation of reactive distillation column.Keywords: Modeling, simulation, reactive distillation, relaxation method, equilibrium stage, heterogeneous, MTBE
Nonspecific airway reactivity in a mouse model of asthma
Energy Technology Data Exchange (ETDEWEB)
Collie, D.D.; Wilder, J.A.; Bice, D.E.
1995-12-01
Animal models are indispensable for studies requiring an intact immune system, especially for studying the pathogenic mechanisms in atopic diseases, regulation of IgE production, and related biologic effects. Mice are particularly suitable and have been used extensively for such studies because their immune system is well characterized. Further, large numbers of mutants or inbred strains of mice are available that express deficiencies of individual immunologic processes, inflammatory cells, or mediator systems. By comparing reactions in such mice with appropriate control animals, the unique roles of individual cells or mediators may be characterized more precisely in the pathogenesis of atopic respiratory diseases including asthma. However, given that asthma in humans is characterized by the presence of airway hyperresponsiveness to specific and nonspecific stimuli, it is important that animal models of this disease exhibit similar physiologic abnormalities. In the past, the size of the mouse has limited its versatility in this regard. However, recent studies indicate the feasibility of measuring pulmonary responses in living mice, thus facilitating the physiologic evaluation of putative mouse models of human asthma that have been well charcterized at the immunologic and patholigic level. Future work will provide details of the morphometry of the methacholine-induced bronchoconstriction and will further seek to determine the relationship between cigarette smoke exposure and the development of NS-AHR in the transgenic mouse model.
Reactive Aggregate Model Protecting Against Real-Time Threats
2014-09-01
IPv4 address space. Cisco products such as Auto Secure and Adaptive Security Appliance are effective for Cisco products, but large distributed...protection capability within GINA. GINA has no published history of implementation as an IPS. A. RAMPART DECISION MODEL In order to establish a threat
Jacques, Diederik
2017-04-01
As soil functions are governed by a multitude of interacting hydrological, geochemical and biological processes, simulation tools coupling mathematical models for interacting processes are needed. Coupled reactive transport models are a typical example of such coupled tools mainly focusing on hydrological and geochemical coupling (see e.g. Steefel et al., 2015). Mathematical and numerical complexity for both the tool itself or of the specific conceptual model can increase rapidly. Therefore, numerical verification of such type of models is a prerequisite for guaranteeing reliability and confidence and qualifying simulation tools and approaches for any further model application. In 2011, a first SeSBench -Subsurface Environmental Simulation Benchmarking- workshop was held in Berkeley (USA) followed by four other ones. The objective is to benchmark subsurface environmental simulation models and methods with a current focus on reactive transport processes. The final outcome was a special issue in Computational Geosciences (2015, issue 3 - Reactive transport benchmarks for subsurface environmental simulation) with a collection of 11 benchmarks. Benchmarks, proposed by the participants of the workshops, should be relevant for environmental or geo-engineering applications; the latter were mostly related to radioactive waste disposal issues - excluding benchmarks defined for pure mathematical reasons. Another important feature is the tiered approach within a benchmark with the definition of a single principle problem and different sub problems. The latter typically benchmarked individual or simplified processes (e.g. inert solute transport, simplified geochemical conceptual model) or geometries (e.g. batch or one-dimensional, homogeneous). Finally, three codes should be involved into a benchmark. The SeSBench initiative contributes to confidence building for applying reactive transport codes. Furthermore, it illustrates the use of those type of models for different
Modeling Fluid Flow in Faulted Basins
Directory of Open Access Journals (Sweden)
Faille I.
2014-07-01
Full Text Available This paper presents a basin simulator designed to better take faults into account, either as conduits or as barriers to fluid flow. It computes hydrocarbon generation, fluid flow and heat transfer on the 4D (space and time geometry obtained by 3D volume restoration. Contrary to classical basin simulators, this calculator does not require a structured mesh based on vertical pillars nor a multi-block structure associated to the fault network. The mesh follows the sediments during the evolution of the basin. It deforms continuously with respect to time to account for sedimentation, erosion, compaction and kinematic displacements. The simulation domain is structured in layers, in order to handle properly the corresponding heterogeneities and to follow the sedimentation processes (thickening of the layers. In each layer, the mesh is unstructured: it may include several types of cells such as tetrahedra, hexahedra, pyramid, prism, etc. However, a mesh composed mainly of hexahedra is preferred as they are well suited to the layered structure of the basin. Faults are handled as internal boundaries across which the mesh is non-matching. Different models are proposed for fault behavior such as impervious fault, flow across fault or conductive fault. The calculator is based on a cell centered Finite Volume discretisation, which ensures conservation of physical quantities (mass of fluid, heat at a discrete level and which accounts properly for heterogeneities. The numerical scheme handles the non matching meshes and guaranties appropriate connection of cells across faults. Results on a synthetic basin demonstrate the capabilities of this new simulator.
On numerical considerations for modeling reactive astrophysical shocks
International Nuclear Information System (INIS)
Papatheodore, Thomas L.; Messer, O. E. Bronson
2014-01-01
Simulating detonations in astrophysical environments is often complicated by numerical approximations to shock structure. A common prescription to ensure correct detonation speeds and associated quantities is to prohibit burning inside the numerically broadened shock. We have performed a series of simulations to verify the efficacy of this approximation and to understand how resolution and dimensionality might affect its use. Our results show that in one dimension, prohibiting burning in the shock is important wherever the carbon burning length is not resolved, in keeping with the results of Fryxell et al. In two dimensions, we find that the prohibition of shock burning effectively inhibits the development of cellular structure for all but the most highly resolved cases. We discuss the possible impacts this outcome may have on sub-grid models and detonation propagation in models of Type Ia supernovae, including potential impacts on observables.
Comparison of two conceptual models of flow using the TSA
International Nuclear Information System (INIS)
Wilson, M.L.
1992-01-01
Several new capabilities have been added to the Total-System Analyzer (TSA), including a new model of unsaturated flow and transport, two new models of source releases, a different computational method for saturated transport, and gas-release capability. In this paper these new capabilities are described, and a comparison is made of results from the two different conceptual models of unsaturated flow that are now part of the TSA, a composite-porosity model and a simple fracture-flow model
Energy Technology Data Exchange (ETDEWEB)
Perez-Lopez, R.; Cama, J.; Nieto, J.M.; Ayora, C.; Saaltink, M.W. [University of Huelva, Huelva (Spain). Dept. of Geology
2009-09-15
Conventional permeable reactive barriers (PRBs) for passive treatment of groundwater contaminated by acid mine drainage (AMD) use limestone as reactive material that neutralizes water acidity. However, the limestone-alkalinity potential ceases as inevitable precipitation of secondary metal-phases on grain surfaces occurs, limiting its efficiency. In the present study, fly ash derived from coal combustion is investigated as an alternative alkalinity generating material for the passive treatment of AMD using solution-saturated column experiments. Unlike conventional systems, the utilization of fly ash in a pre-barrier to intercept the non-polluted recharge water before this water reacts with pyrite-rich wastes is proposed. Chemical variation in the columns was interpreted with the reactive transport code RETRASO. In parallel, kinetics of fly ash dissolution at alkaline pH were studied using flow-through experiments and incorporated into the model. In a saturated column filled solely with pyritic sludge-quartz sand (1: 10), oxidation took place at acidic conditions (pH 3.7). According to SO{sub 4}{sup 2-} release and pH, pyrite dissolution occurred favourably in the solution-saturated porous medium until dissolved O{sub 2} was totally consumed. In a second saturated column, pyrite oxidation took place at alkaline conditions (pH 10.45) as acidity was neutralized by fly ash dissolution in a previous level. At this pH Fe release from pyrite dissolution was immediately depleted as Fe-oxy(hydroxide) phases that precipitated on the pyrite grains, forming Fe-coatings (microencapsulation). With time, pyrite microencapsulation inhibited oxidation in practically 97% of the pyritic sludge. Rapid pyrite-surface passivation decreased its reactivity, preventing AMD production in the relatively short term.
Directory of Open Access Journals (Sweden)
Sanghyeon Kim
2017-06-01
Full Text Available In this study, cavitation flow of hydrofoils is numerically investigated to characterize the effects of turbulence models on cavitation-flow patterns and the corresponding radiated sound waves. The two distinct flow conditions are considered by varying the mean flow velocity and angle of attack, which are categorized under the experimentally observed unstable or stable cavitation flows. To consider the phase interchanges between the vapor and the liquid, the flow fields around the hydrofoil are analyzed by solving the unsteady compressible Reynolds-averaged Navier–Stokes equations coupled with a mass-transfer model, also referred to as the cavitation model. In the numerical solver, a preconditioning algorithm with dual-time stepping techniques is employed in generalized curvilinear coordinates. The following three types of turbulence models are employed: the laminar-flow model, standard k − ε turbulent model, and filter-based model. Hydro-acoustic field formed by the cavitation flow of the hydrofoil is predicted by applying the Ffowcs Williams and Hawkings equation to the predicted flow field. From the predicted results, the effects of the turbulences on the cavitation flow pattern and radiated flow noise are quantitatively assessed in terms of the void fraction, sound-pressure-propagation directivities, and spectrum.
Environmental flows in hydro-economic models
Pereau, Jean-Christophe; Pryet, Alexandre
2018-03-01
The protection of environmental flows, as a management objective for a regulating agency, needs to be consistent with the aquifer water balance and the degree of resource renewability. A stylized hydro-economic model is used where natural recharge, which sustains environmental flows, is considered both in the aquifer water budget and in the welfare function as ecosystem damage. Groundwater recharge and the associated natural drainage may be neglected for aquifers containing fossil water, where the groundwater is mined. However, when dealing with an aquifer that constitutes a renewable resource, for which recharge is not negligible, natural drainage should explicitly appear in the water budget. In doing so, the optimum path of net extraction rate does not necessarily converge to the recharge rate, but depends on the costs associated with ecosystem damages. The optimal paths and equilibrium values for the water volume and water extraction are analytically derived, and numerical simulations based on the Western La Mancha aquifer (southwest Spain) illustrate the theoretical results of the study.
Modelling cavitating flow around underwater missiles
Directory of Open Access Journals (Sweden)
Fabien Petitpas
2011-12-01
Full Text Available The diffuse interface model of Saurel et al. (2008 is used for the computation of compressible cavitating flows around underwater missiles. Such systems use gas injection and natural cavitation to reduce drag effects. Consequently material interfaces appear separating liquid and gas. These interfaces may have a really complex dynamics such that only a few formulations are able to predict their evolution. Contrarily to front tracking or interface reconstruction method the interfaces are computed as diffused numerical zones, that are captured in a routinely manner, as is done usually with gas dynamics solvers for shocks and contact discontinuity. With the present approach, a single set of partial differential equations is solved everywhere, with a single numerical scheme. This leads to very efficient solvers. The algorithm derived in Saurel et al. (2009 is used to compute cavitation pockets around solid bodies. It is first validated against experiments done in cavitation tunnel at CNU. Then it is used to compute flows around high speed underwater systems (Shkval-like missile. Performance data are then computed showing method ability to predict forces acting on the system.
Modeling the surface tension of complex, reactive organic-inorganic mixtures
Schwier, A. N.; Viglione, G. A.; Li, Z.; McNeill, V. Faye
2013-11-01
Atmospheric aerosols can contain thousands of organic compounds which impact aerosol surface tension, affecting aerosol properties such as heterogeneous reactivity, ice nucleation, and cloud droplet formation. We present new experimental data for the surface tension of complex, reactive organic-inorganic aqueous mixtures mimicking tropospheric aerosols. Each solution contained 2-6 organic compounds, including methylglyoxal, glyoxal, formaldehyde, acetaldehyde, oxalic acid, succinic acid, leucine, alanine, glycine, and serine, with and without ammonium sulfate. We test two semi-empirical surface tension models and find that most reactive, complex, aqueous organic mixtures which do not contain salt are well described by a weighted Szyszkowski-Langmuir (S-L) model which was first presented by Henning et al. (2005). Two approaches for modeling the effects of salt were tested: (1) the Tuckermann approach (an extension of the Henning model with an additional explicit salt term), and (2) a new implicit method proposed here which employs experimental surface tension data obtained for each organic species in the presence of salt used with the Henning model. We recommend the use of method (2) for surface tension modeling of aerosol systems because the Henning model (using data obtained from organic-inorganic systems) and Tuckermann approach provide similar modeling results and goodness-of-fit (χ2) values, yet the Henning model is a simpler and more physical approach to modeling the effects of salt, requiring less empirically determined parameters.
International Nuclear Information System (INIS)
Molinero-Huguet, Jorge; Samper-Calvete, F. Javier; Zhang, Guoxiang; Yang, Changbing
2004-01-01
Underground facilities are being operated by several countries around the world for performing research and demonstration of the safety of deep radioactive waste repositories. The ''sp'' Hard Rock Laboratory is one such facility launched and operated by the Swedish Nuclear Fuel and Waste Management Company where various in situ experiments have been performed in fractured granites. One such experiment is the redox zone experiment, which aimed at evaluating the effects of the construction of an access tunnel on the hydrochemical conditions of a fracture zone. Dilution of the initially saline groundwater by fresh recharge water is the dominant process controlling the hydrochemical evolution of most chemical species, except for bicarbonate and sulfate, which unexpectedly increase with time. We present a numerical model of water flow, reactive transport, and microbial processes for the redox zone experiment. This model provides a plausible quantitatively based explanation for the unexpected evolution of bicarbonate and sulfate, reproduces the breakthrough curves of other reactive species, and is consistent with previous hydrogeological and solute transport models
Energy Technology Data Exchange (ETDEWEB)
Havenga, A.; Usher, B.; Hodgson, E.; van Tonder, G. [University of Free State, Bloemfontein (South Africa). Inst. of Groundwater Studies
2005-11-15
After the closure of collieries, they naturally start to fill up with water. As a result, hydraulic gradients develop between them and different hydraulic pressures are exerted onto peripheral areas or compartments within mines. This results in water flow between mines, or onto the surface. This flow is referred to as intermine flow. The collieries in the Witbank Coalfield have geometries such that there are several areas where this intermine flow is possible. Since the Department of Water Affairs and Forestry has declared intermine flow as one of its greatest concerns for granting closure to South African mines, much research into this phenomenon is required. The challenges in determining intermine flow are numerous, and attention has focused on identification of areas where these flows can take place. The quantification of these flows is problematic due to the uncertainties in exact geometric configurations and the variation in site-specific hydraulic properties of the coal and overlying lithological layers. During this study, use has been made of numerical flow modelling and several analytic solutions to test the applicability of the flow models as well as to predict groundwater flow directions, filling times of voids and flow volumes. The numerical modelling methodology entailed a downscaling approach starting with a broad regional model covering the entire area, followed by modelling the interactions between interconnected mines, and finally looking in detail at the major areas of interaction.
Estimating preferential flow in karstic aquifers using statistical mixed models.
Anaya, Angel A; Padilla, Ingrid; Macchiavelli, Raul; Vesper, Dorothy J; Meeker, John D; Alshawabkeh, Akram N
2014-01-01
Karst aquifers are highly productive groundwater systems often associated with conduit flow. These systems can be highly vulnerable to contamination, resulting in a high potential for contaminant exposure to humans and ecosystems. This work develops statistical models to spatially characterize flow and transport patterns in karstified limestone and determines the effect of aquifer flow rates on these patterns. A laboratory-scale Geo-HydroBed model is used to simulate flow and transport processes in a karstic limestone unit. The model consists of stainless steel tanks containing a karstified limestone block collected from a karst aquifer formation in northern Puerto Rico. Experimental work involves making a series of flow and tracer injections, while monitoring hydraulic and tracer response spatially and temporally. Statistical mixed models (SMMs) are applied to hydraulic data to determine likely pathways of preferential flow in the limestone units. The models indicate a highly heterogeneous system with dominant, flow-dependent preferential flow regions. Results indicate that regions of preferential flow tend to expand at higher groundwater flow rates, suggesting a greater volume of the system being flushed by flowing water at higher rates. Spatial and temporal distribution of tracer concentrations indicates the presence of conduit-like and diffuse flow transport in the system, supporting the notion of both combined transport mechanisms in the limestone unit. The temporal response of tracer concentrations at different locations in the model coincide with, and confirms the preferential flow distribution generated with the SMMs used in the study. © 2013, National Ground Water Association.
Nucleic acid reactivity : challenges for next-generation semiempirical quantum models
Huang, Ming; Giese, Timothy J.; York, Darrin M.
2015-01-01
Semiempirical quantum models are routinely used to study mechanisms of RNA catalysis and phosphoryl transfer reactions using combined quantum mechanical/molecular mechanical methods. Herein, we provide a broad assessment of the performance of existing semiempirical quantum models to describe nucleic acid structure and reactivity in order to quantify their limitations and guide the development of next-generation quantum models with improved accuracy. Neglect of diatomic diffierential overlap (...
Multiphasic fluid models and multicomponents reactive transport in porous media
International Nuclear Information System (INIS)
Juncosa, R.
2001-01-01
The design and construction of repositories for toxic waste, such as radioactive waste of medium and high activity, require tools, that will enable us to predict how the system will behave. The rational behind this Dissertation is based precisely on developing numerical models to study and predict coupled thermal, mechanical, hydrodynamic and geochemical behavior of clays intended to be used as engineered barriers in radioactive waste repository. In order to meet the requirements of the FEBEX Project (Full Scale Engineered Barriers Experiment) it was necessary to develop thermo-hydro-geochemical conceptual and numerical models (THG). For this purpose a THG code was developed to simulate and predict the THG behavior of the clay barrier. The code was created after considering two options. a) The development of a completely new code, or b) the coupling of existing codes. In this Dissertation we chose the second option, and developed a new program (FADES-CORE), which was obtained by using the FADES thermo-hydro-mechanical code (Navarro, 1997) and the CORE-LE code (Samper et al., 1998). This process entailed the modification of FADES, the addition of new subroutines for the calculation of solute transport, the modification of CORE-LE and the introduction of additional geochemical and transport processes. (Author)
Directory of Open Access Journals (Sweden)
S.M. Arifuzzaman
2018-04-01
Full Text Available This paper concerns with the modelling of an unsteady natural convective and higher order chemically reactive magnetohydrodynamics (MHD fluid flow with the effect of heat and radiation absorption. The flow is generated through a vertical oscillating porous plate. Boundary layer approximations is carried out to establish a flow model which represents the time dependent momentum, energy and diffusion balance equations. Before being solved numerically, the governing partial differential equations (PDEs were transformed into a set of nonlinear ordinary differential equation (ODEs by using non-similar technique. A very efficient numerical approach solves the obtained nonlinear coupled ODEs so called Explicit Finite Difference Method (EFDM. An algorithm is implemented in Compaq Visual Fortran 6.6a as a solving tool. In addition, the stability and convergence analysis (SCA is examined and shown explicitly. The advantages of SCA is its optimizes the accuracy of system parameters such as Prandtl number (Pr and Schmidt number (Sc.The velocity, temperature and concentration fields in the boundary layer region are studied in detail and the outcomes are shown in graphically with the influence of various pertinent parameters such as Grashof number (Gr, modified Grashof number (Gr, magnetic parameter (M, Darcy number (Da,Prandtl number (Pr, Schmidt number (Sc, radiation (R, heat sink (Q,radiation absorption (Q1, Eckert number (Ec, Dufour number (Du,Soret number (Sr, Schmidt number (Sc, reaction index (P and chemical reaction (Kr. Furthermore, the effect of skin friction coefficient (Cf, Nusselt number (Nu and Sherwood number (Sh are also examined graphically. Keywords: MHD, Oscillating porous plate, Radiation absorption, High order chemical reaction, EFDM
International Nuclear Information System (INIS)
Chollet, F.; Celsis, P.; Clanet, M.; Guiraud-Chaumeil, B.; Rascol, A.; Marc-Vergnes, J.P.
1989-01-01
We investigated 15 patients with one or more transient ischemic attacks (TIAs) in the internal carotid artery territory within the month following the most recent TIA. Cerebral blood flow (CBF) was measured by single-photon emission computed tomography, using intravenous xenon-133 before and after injection of 1 g acetazolamide. Six patients had severe carotid stenosis or occlusion; the other nine patients had no significant carotid lesions. Twenty age-matched volunteers free of neurologic symptoms or history were used as controls. Mean CBF in the sylvian region was not significantly different between patients and controls. Seven patients exhibited a focal hypoperfusion at rest in the symptomatic hemisphere, and their hypoperfused areas were hyporeactive after administration of acetazolamide. Seven other patients exhibited hyporeactive areas after acetazolamide administration while their CBF tomograms at rest were normal. Thus, CBF abnormalities were detected in 14 of the 15 patients. Our findings suggest that CBF measured early after acetazolamide administration could be useful to confirm the clinical diagnosis of TIA. In the nine patients with no significant lesion of the internal carotid artery, the areas of hypoperfusion were small and were probably related to the focal ischemic event. In the six patients with severe lesions of the internal carotid artery, abnormalities were of variable size and intensity but were often large and pronounced. The discrepancy between these two subgroups of patients could be ascribed to the hemodynamic influence of the internal carotid artery lesions. Moreover, our findings may provide some insight into the pathophysiology of TIAs
Mathematical model of SPOC with a time dependent reactive field
Energy Technology Data Exchange (ETDEWEB)
Ohtaki, Masako [Department of Physics, School of Science and Engineering, Waseda University, Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan)
2006-03-21
In general the muscle is in one of the two state possible states, relaxation or contraction. These contractions result from relative sliding of myosin and actin in the sarcomere, which is the contraction structure unit of skeletal muscle. The switching between two states is depending on the Ca2{sup +} concentrations. However another state has been detected between these two states. In the third state, that is SPontaneous Oscillatory Contraction (SPOC), sarcomere repeats contraction and extension spontaneously. Muscle fibers are composed of hundreds of sarcomeres in series and one sarcomea also is composed of hundreds of myosin. In microscopic, the force generated by actin and myosin interaction occurs stochastically. SPOC, however, is macroscopically observable and there are regular oscillations. To understand SPOC mechanism, we propose a model for SPOC based on chemical reaction including mechanical process.
Mathematical model of SPOC with a time dependent reactive field
International Nuclear Information System (INIS)
Ohtaki, Masako
2006-01-01
In general the muscle is in one of the two state possible states, relaxation or contraction. These contractions result from relative sliding of myosin and actin in the sarcomere, which is the contraction structure unit of skeletal muscle. The switching between two states is depending on the Ca2 + concentrations. However another state has been detected between these two states. In the third state, that is SPontaneous Oscillatory Contraction (SPOC), sarcomere repeats contraction and extension spontaneously. Muscle fibers are composed of hundreds of sarcomeres in series and one sarcomea also is composed of hundreds of myosin. In microscopic, the force generated by actin and myosin interaction occurs stochastically. SPOC, however, is macroscopically observable and there are regular oscillations. To understand SPOC mechanism, we propose a model for SPOC based on chemical reaction including mechanical process
Model determination and validation for reactive wetting processes
Energy Technology Data Exchange (ETDEWEB)
Yost, F.G.; O`Toole, E.J.; Sackinger, P.A. [Sandia National Labs., Albuquerque, NM (United States); Swiler, T.P. [Univ. of New Mexico, Albuquerque, NM (United States). Dept. of Chemical and Nuclear Engineering
1998-01-01
It is shown that dissolutive wetting initially yields a metastable equilibrium. A compact model for the kinetics of approach to this metastable state is described. The technique for constructing these kinetics stems from the early work of Onsager and begins with a relationship for the entropy production. From this, a coupled set of nonlinear, ordinary differential equations can be written directly. The equations are solved numerically for the wetted area and compared with experimental data. The model captures many of the subtle complexities of dissolutive wetting such as multiple metastable states. Sessile drop experiments involving a variety of Bi-Sn alloys on solid Bi substrates were performed. Substrates prepared from small and large-grained polycrystals and single crystals were used to measure equilibrium and metastable contact angles and estimate the surface tension and equilibrium contact angle of the solid-liquid interface. The substrates were also used to investigate the coupling of the dissolution and wetting processes and to investigate the effect of substrate grain size on wetting. It was determined that the equilibrium wetting geometry is independent of linear scale and that grain size has little influence on wetting or dissolution in the Bi-Sn system. To investigate the atomic behavior of liquids at interfaces during wetting, the authors simulated wetting in the Ag-Cu system using molecular dynamics with atomic potentials and observed both atomic dynamics and structural correlations of the liquid-solid interface. The authors found that spreading is prompted by interactions between the liquid and the substrate surface that cause the liquid layer in contact with the substrate to take on some of the symmetry of the substrate surface and result in the formation of a liquid monolayer that extends beyond the major part of the liquid droplet.
The Predictive Effect of Big Five Factor Model on Social Reactivity ...
African Journals Online (AJOL)
The study tested a model of providing a predictive explanation of Big Five Factor on social reactivity among secondary school adolescents of Cross River State, Nigeria. A sample of 200 students randomly selected across 12 public secondary schools in the State participated in the study (120 male and 80 female). Data ...
Although the literature is replete with QSAR models developed for many toxic effects caused by reversible chemical interactions, the development of QSARs for the toxic effects of reactive chemicals lacks a consistent approach. While limitations exit, an appropriate starting-point...
Optimization of binary breeder reactor. 1. Sodium void reactivity and Doppler effect in a new model
International Nuclear Information System (INIS)
Nascimento, J.A. do; Dias, A.F.; Ishiguro, Y.
1985-01-01
A model for the Binary Breeder Reactor (BBR) is examined for the inherent safety characteristics, sodium void reactivity and Doppler effect in the beginning of cycle and a hypothetical end of cycle. In addition to the standard fueling mode of the BBR, two others are considered: U 238 /U 233 -alternate fueling, and U 238 /PU-normal fueling of LMFBRs. (Author) [pt
DEFF Research Database (Denmark)
Tjell, Simon; Lassen, Kristian Bisgaard
2008-01-01
In this paper, we describe a formal foundation for a specialized approach to automatically checking traces against real-time requirements. The traces are obtained from simulation of Coloured Petri Net (CPN) models of reactive systems. The real-time requirements are expressed in terms of a derivat...
2016-06-01
aerobic cometabolism, reductive dechlorination evidence was reported from the toe of the plume, where TCE enters the Lower Lithologic Unit. The CSM of the...modeling in reactive transport: 50 years of artificial recharge in the Amsterdam Water Supply Dunes . J. Hydrology 454: 7-25. Khan, F. I., et al
van Breukelen, B.M.; Griffioen, J.; Roling, W.F.M.; van Verseveld, H.W.
2004-01-01
The biogeochemical processes governing leachate attenuation inside a landfill leachate plume (Banisveld, the Netherlands) were revealed and quantified using the 1D reactive transport model PHREEQC-2. Biodegradation of dissolved organic carbon (DOC) was simulated assuming first-order oxidation of two
Neutron and thermo - hydraulic model of a reactivity transient in a nuclear power plant fuel element
International Nuclear Information System (INIS)
Oliva, Jose de Jesus Rivero
2012-01-01
A reactivity transient without reactor scram was modeled and calculated using analytical expressions for the space distributions of the temperature fields, combined with discrete numerical calculations for the time dependences of thermal power and temperatures. The transient analysis covered the time dependencies of reactivity, global thermal power, fuel heat flux and temperatures in fuel, cladding and cooling water. The model was implemented in Microsoft Office Excel, dividing the Excel file in several separated worksheets for input data, initial steady-state calculations, calculation of parameters non-depending on eigenvalues, eigenvalues determination, calculation of parameters depending on eigenvalues, transient calculation and graphical representation of intermediate and final results. The results show how the thermal power reaches a new equilibrium state due to the negative reactivity feedback derived from the fuel temperature increment. Nevertheless, the reactor mean power increases 40% during the first second and, in the hottest channel, the maximum fuel temperature goes to a significantly high value, slightly above 2100 deg C, after 8 seconds of transient. Consequently, the results confirm that certain degree of fuel damage could be expected in case of a reactor scram failure. Once the basic model has being established the scope of accidents for future analyses can be extended, modifying the nuclear power behavior (reactivity) during transient and the boundary conditions for coolant temperature. A more complex model is underway for an annular fuel element. (author)
Glucose reactivity with filling materials as a limitation for using the glucose leakage model
Shemesh, H.; Souza, E.M.; Wu, M.K.; Wesselink, P.R.
2008-01-01
Aim To evaluate the reactivity of different endodontic materials and sealers with glucose and to asses the reliability of the glucose leakage model in measuring penetration of glucose through these materials. Methodology Ten uniform discs (radius 5 mm, thickness 2 mm) were made of each of the
Modeling of the Bosphorus exchange flow dynamics
Sözer, Adil; Özsoy, Emin
2017-04-01
The fundamental hydrodynamic behavior of the Bosphorus Strait is investigated through a numerical modeling study using alternative configurations of idealized or realistic geometry. Strait geometry and basin stratification conditions allow for hydraulic controls and are ideally suited to support the maximal-exchange regime, which determines the rate of exchange of waters originating from the adjacent Black and Mediterranean Seas for a given net transport. Steady-state hydraulic controls are demonstrated by densimetric Froude number calculations under layered flow approximations when corrections are applied to account for high velocity shears typically observed in the Bosphorus. Analyses of the model results reveal many observed features of the strait, including critical transitions at hydraulic controls and dissipation by turbulence and hydraulic jumps. It is found that the solution depends on initialization, especially with respect to the basin initial conditions. Significant differences between the controlled maximal-exchange and drowned solutions suggest that a detailed modeling implementation involving coupling with adjacent basins needs to take full account of the Bosphorus Strait in terms of the physical processes to be resolved.
International Nuclear Information System (INIS)
Sahota, M.S.; Lime, J.F.
1983-01-01
The two-phase, two-component choked-flow model implemented in the latest version of the Transient Reactor analysis Code (TRAC-PF1) was developed from first principles using the characteristic analysis approach. The subcooled choked-flow model in TRAC-PF1 is a modified form of the Burnell model. This paper discusses these choked-flow models and their implementation in TRAC-PF1. comparisons using the TRAC-PF1 choked-flow models are made with the Burnell model for subcooled flow and with the homogeneous-equilibrium model (HEM) for two-phae flow. These comparisons agree well under homogeneous conditions. Generally good agreements have been obtained between the TRAC-PF1 results from models using the choking criteria and those using a fine mesh (natural choking). Code-data comparisons between the separate-effects tests of the Marviken facility and the Edwards' blowdown experiment also are favorable. 10 figures
Abiotic/biotic coupling in the rhizosphere: a reactive transport modeling analysis
Lawrence, Corey R.; Steefel, Carl; Maher, Kate
2014-01-01
A new generation of models is needed to adequately simulate patterns of soil biogeochemical cycling in response changing global environmental drivers. For example, predicting the influence of climate change on soil organic matter storage and stability requires models capable of addressing complex biotic/abiotic interactions of rhizosphere and weathering processes. Reactive transport modeling provides a powerful framework simulating these interactions and the resulting influence on soil physical and chemical characteristics. Incorporation of organic reactions in an existing reactive transport model framework has yielded novel insights into soil weathering and development but much more work is required to adequately capture root and microbial dynamics in the rhizosphere. This endeavor provides many advantages over traditional soil biogeochemical models but also many challenges.
Simulation of reactive geochemical transport in groundwater using a semi-analytical screening model
McNab, Walt W.
1997-10-01
A reactive geochemical transport model, based on a semi-analytical solution to the advective-dispersive transport equation in two dimensions, is developed as a screening tool for evaluating the impact of reactive contaminants on aquifer hydrogeochemistry. Because the model utilizes an analytical solution to the transport equation, it is less computationally intensive than models based on numerical transport schemes, is faster, and it is not subject to numerical dispersion effects. Although the assumptions used to construct the model preclude consideration of reactions between the aqueous and solid phases, thermodynamic mineral saturation indices are calculated to provide qualitative insight into such reactions. Test problems involving acid mine drainage and hydrocarbon biodegradation signatures illustrate the utility of the model in simulating essential hydrogeochemical phenomena.
Gursoy, Kadir Ali; Yavuz, Mehmet Metin
2014-11-01
In continuous casting operation of steel, the flow through tundish to the mold can be controlled by different flow rate control systems including stopper rod and slide-gate. Ladle changes in continuous casting machines result in liquid steel level changes in tundishes. During this transient event of production, the flow rate controller opening is increased to reduce the pressure drop across the opening which helps to keep the mass flow rate at the desired level for the reduced liquid steel level in tundish. In the present study, computational fluid dynamic (CFD) models are developed to investigate the effect of flow rate controller on mold flow structure, and particularly to understand the effect of flow controller opening on meniscus flow. First, a detailed validation of the CFD models is conducted using available experimental data and the performances of different turbulence models are compared. Then, the constant throughput casting operations for different flow rate controller openings are simulated to quantify the opening effect on meniscus region. The results indicate that the meniscus velocities are significantly affected by the flow rate controller and its opening level. The steady state operations, specified as constant throughput casting, do not provide the same mold flow if the controller opening is altered. Thus, for quality and castability purposes, adjusting the flow controller opening to obtain the fixed mold flow structure is proposed. Supported by Middle East Technical University (METU) BAP (Scientific Research Projects) Coordination.
Increased airway reactivity in a neonatal mouse model of Continuous Positive Airway Pressure (CPAP)
Mayer, Catherine A.; Martin, Richard J.; MacFarlane, Peter M.
2015-01-01
Background Continuous positive airway pressure (CPAP) is a primary form of respiratory support used in the intensive care of preterm infants, but its long-term effects on airway (AW) function are unknown. Methods We developed a neonatal mouse model of CPAP treatment to determine whether it modifies later AW reactivity. Un-anesthetized spontaneously breathing mice were fitted with a mask to deliver CPAP (6cmH2O, 3hrs/day) for 7 consecutive days starting at postnatal day 1. Airway reactivity to...
Energy Technology Data Exchange (ETDEWEB)
Fakcharoenphol, Perapon [Colorado School of Mines, Golden, CO (United States); Xiong, Yi [Colorado School of Mines, Golden, CO (United States); Hu, Litang [Colorado School of Mines, Golden, CO (United States); Winterfeld, Philip H. [Colorado School of Mines, Golden, CO (United States); Xu, Tianfu [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Wu, Yu-Shu [Colorado School of Mines, Golden, CO (United States)
2013-05-01
TOUGH2-EGS is a numerical simulation program coupling geomechanics and chemical reactions for fluid and heat flows in porous media and fractured reservoirs of enhanced geothermal systems. The simulator includes the fully-coupled geomechanical (THM) module, the fully-coupled geochemical (THC) module, and the sequentially coupled reactive geochemistry (THMC) module. The fully-coupled flow-geomechanics model is developed from the linear elastic theory for the thermo-poro-elastic system and is formulated with the mean normal stress as well as pore pressure and temperature. The chemical reaction is sequentially coupled after solution of flow equations, which provides the flow velocity and phase saturation for the solute transport calculation at each time step. In addition, reservoir rock properties, such as porosity and permeability, are subjected to change due to rock deformation and chemical reactions. The relationships between rock properties and geomechanical and chemical effects from poro-elasticity theories and empirical correlations are incorporated into the simulator. This report provides the user with detailed information on both mathematical models and instructions for using TOUGH2-EGS for THM, THC or THMC simulations. The mathematical models include the fluid and heat flow equations, geomechanical equation, reactive geochemistry equations, and discretization methods. Although TOUGH2-EGS has the capability for simulating fluid and heat flows coupled with both geomechanical and chemical effects, it is up to the users to select the specific coupling process, such as THM, THC, or THMC in a simulation. There are several example problems illustrating the applications of this program. These example problems are described in details and their input data are presented. The results demonstrate that this program can be used for field-scale geothermal reservoir simulation with fluid and heat flow, geomechanical effect, and chemical reaction in porous and fractured media.
Modelling the reactive-path between pyrite and radioactive nuclides
International Nuclear Information System (INIS)
Kang Mingliang; Wu Shijun; Dou Shunmei; Chen Fanrong; Yang Yongqiang
2008-01-01
The mobility of redox sensitive nuclides is largely dependent on their valence state. The radionuclides that make the dominant contributions to final dose calculations are redox sensitive. Almost all the radionuclides (except 129 I) have higher mobility at high valence state, and correspond to immobilization at low valence state due to the much lower solubility. Pyrite is an ubiquitous and stable mineral in geological environment, and would be used as a low-cost long time reductant for the immobilization of radionuclides. However, pyrite oxidation is supposed to generate acid, which will enhance the mobility of nuclides. In this paper, the reaction path of the reactions between radionuclides (U, Se and Tc) and pyrite in the groundwater from Wuyi well in Beishan area of China has been simulated using geochemical modeling software. According to the results, pyrite can reduce high valence nuclides to a dinky-level effectively, with the pH slightly increasing under anaerobic condition that is common in deep nuclear waste repositories. (authors)
Directory of Open Access Journals (Sweden)
H Keshavarz
2008-12-01
Full Text Available Background: Determination of the division history of T cells in vitro is helpful in the study of effector mechanisms against infections. Technique described here uses the intracellular fluorescent label carboxyfluorescein diacetate succinimidyl ester (CFSE to monitor the proliferation. Methods: In a cross sectional study, blood samples were collected from 7 volunteers with history of cutaneous leishmaniasis (CL and one healthy control from endemic areas in Isfahan province who referred to the Center for Research and Training in Skin Diseases and Leprosy (CRTSDL, then CD4+/CD8+ lymphocytes and CD14+ monocytes were isolated from peripheral blood mononuclear cells (PBMC using mAbs and magnetic nanoparticles. CFSE labeled CD4+ or CD8+ lymphocytes cultured with autologous monocytes in the presence of PHA, SLA, live Leishmania major or as control without stimulation. Cells were harvested after 7 days and were analyzed using flow cytometry. Results: Five consecutive divisions were monitored separately. Stimulation of CD4+ or CD8+ lymphocytes from CL subjects with SLA showed a significant difference in proliferation comparing with unstimulated cells (P< 0.05. The significant difference in the percentages of CD4+ cells stimulated with SLA was revealed at different divisions for each subject. In CD8+ lymphocyte, significant stronger stimulation of SLA was evident later in the proliferation process. The mean number of divisions in both CD4+/CD8+ lymphocytes stimulated with SLA was significantly greater than when stimulated with live L. major (P=0.007 / P=0.012, respectively Conclusion: The percentage of divided cells might be calculated separately in each division. The cells remained active following CFSE staining and there is possibility of functional analysis simultaneously.
Distinguishing Environment and System in Coloured Petri Net Models of Reactive Systems
DEFF Research Database (Denmark)
Tjell, Simon
2007-01-01
This paper introduces and formally defines the environment-and-system-partitioned property for behavioral models of reactive systems expressed in the formal modeling language Coloured Petri Net. The purpose of the formalization is to make it possible to automatically validate any CPN model...... with respect to this property based on structural analysis. A model has the environment-and-system-partitioned property if it is based on a clear division between environment and system. This division is important in many model-driven approaches to software development such as model-based testing and automated...
Polyphenol-enriched berry extracts naturally modulate reactive proteins in model foods.
Lila, Mary Ann; Schneider, Maggie; Devlin, Amy; Plundrich, Nathalie; Laster, Scott; Foegeding, E Allen
2017-12-13
Healthy foods like polyphenol-rich berries and high quality edible proteins are in demand in today's functional food marketplace, but it can be difficult to formulate convenient food products with physiologically-relevant amounts of these ingredients and still maintain product quality. In part, this is because proteins can interact with other food ingredients and precipitate destabilizing events, which can disrupt food structure and diminish shelf life. Proteins in foods can also interact with human receptors to provoke adverse consequences such as allergies. When proteins and polyphenols were pre-aggregated into stable colloidal particles prior to use as ingredients, highly palatable food formulations (with reduced astringency of polyphenols) could be prepared, and the overall structural properties of food formulations were significantly improved. All of the nutritive and phytoactive benefits of the proteins and concentrated polyphenols remained highly bioavailable, but the protein molecules in the particle matrix did not self-aggregate into networks or react with other food ingredients. Both the drainage half-life (a marker of structural stability) and the yield stress (resistance to flow) of model foams made with the protein-polyphenol particles were increased in a dose-dependent manner. Of high significance in this complexation process, the reactive allergenic epitopes of certain proteins were effectively blunted by binding with polyphenols, attenuating the allergenicity of the food proteins. Porcine macrophages produced TNF-α proinflammatory cytokine when provoked with whey protein, but, this response was blocked completely when the cells were stimulated with particles that complexed whey protein with cinnamon-derived polyphenols. Cytokine and chemokine production characteristic of allergic reactions were blocked by the polyphenols, allowing for the potential creation of hypoallergenic protein-berry polyphenol enriched foods.
International Nuclear Information System (INIS)
Volovik, S.V.; Dyadyusha, G.G.; Staninets, V.I.
1987-01-01
On the basis of the concept of polarity (philicity) of free radicals as proposed by the authors, within the framework of methods of qualitative surfaces of potential energy (linear combinations of configurations of fragments) and stabilization energy, an effective model has been developed for the regioselectivity and reactivity of radicals in processes of addition. A critical examination is made of certain key aspects of the change in regiochemistry and reactivity with changes in the electronic structure of the free radical and substrate. The dominant trends in regioselectivity and reactivity in processes of free-radical addition to olefins are controlled by electronic effects and can be predicted by analyzing interactions of diabatic potential energy surfaces or orbital interactions for a system consisting of a free radical and an unsaturated substrate
Establishing the long-term fuel management scheme using point reactivity model
International Nuclear Information System (INIS)
Park, Yong-Soo; Kim, Jae-Hak; Lee, Young-Ouk; Song, Jae-Woong; Zee, Sung-Kyun
1994-01-01
A new approach to establish the long-term fuel management scheme is presented in this paper. The point reactivity model is used to predict the core average reactivity. An attempt to calculate batchwise power fraction is introduced through the two-dimensional nodal power algorithm based on the modified one-group diffusion equation and the number of fuel assemblies on the core periphery. Suggested is an empirical formula to estimate the radial leakage reactivity with ripe core design experience reflected. This approach predicts the cycle lengths and the discharge burnups of individual fuel batches up to an equilibrium core when the proper input data such as batch enrichment, batch size, type and content of burnable poison and reloading strategies are given. Eight benchmark calculations demonstrate that the new approach used in this study is reasonably accurate and highly efficient for the purpose of scoping calculation when compared with design code predictions. (author)
GABA from reactive astrocytes impairs memory in mouse models of Alzheimer's disease.
Jo, Seonmi; Yarishkin, Oleg; Hwang, Yu Jin; Chun, Ye Eun; Park, Mijeong; Woo, Dong Ho; Bae, Jin Young; Kim, Taekeun; Lee, Jaekwang; Chun, Heejung; Park, Hyun Jung; Lee, Da Yong; Hong, Jinpyo; Kim, Hye Yun; Oh, Soo-Jin; Park, Seung Ju; Lee, Hyo; Yoon, Bo-Eun; Kim, YoungSoo; Jeong, Yong; Shim, Insop; Bae, Yong Chul; Cho, Jeiwon; Kowall, Neil W; Ryu, Hoon; Hwang, Eunmi; Kim, Daesoo; Lee, C Justin
2014-08-01
In Alzheimer's disease (AD), memory impairment is the most prominent feature that afflicts patients and their families. Although reactive astrocytes have been observed around amyloid plaques since the disease was first described, their role in memory impairment has been poorly understood. Here, we show that reactive astrocytes aberrantly and abundantly produce the inhibitory gliotransmitter GABA by monoamine oxidase-B (Maob) and abnormally release GABA through the bestrophin 1 channel. In the dentate gyrus of mouse models of AD, the released GABA reduces spike probability of granule cells by acting on presynaptic GABA receptors. Suppressing GABA production or release from reactive astrocytes fully restores the impaired spike probability, synaptic plasticity, and learning and memory in the mice. In the postmortem brain of individuals with AD, astrocytic GABA and MAOB are significantly upregulated. We propose that selective inhibition of astrocytic GABA synthesis or release may serve as an effective therapeutic strategy for treating memory impairment in AD.
Nonlinear flow model for well production in an underground formation
Directory of Open Access Journals (Sweden)
J. C. Guo
2013-05-01
Full Text Available Fluid flow in underground formations is a nonlinear process. In this article we modelled the nonlinear transient flow behaviour of well production in an underground formation. Based on Darcy's law and material balance equations, we used quadratic pressure gradients to deduce diffusion equations and discuss the origins of nonlinear flow issues. By introducing an effective-well-radius approach that considers skin factor, we established a nonlinear flow model for both gas and liquid (oil or water. The liquid flow model was solved using a semi-analytical method, while the gas flow model was solved using numerical simulations because the diffusion equation of gas flow is a stealth function of pressure. For liquid flow, a series of standard log-log type curves of pressure transients were plotted and nonlinear transient flow characteristics were analyzed. Qualitative and quantitative analyses were used to compare the solutions of the linear and nonlinear models. The effect of nonlinearity upon pressure transients should not be ignored. For gas flow, pressure transients were simulated and compared with oil flow under the same formation and well conditions, resulting in the conclusion that, under the same volume rate production, oil wells demand larger pressure drops than gas wells. Comparisons between theoretical data and field data show that nonlinear models will describe fluid flow in underground formations realistically and accurately.
Isothermal CO2 Gasification Reactivity and Kinetic Models of Biomass Char/Anthracite Char
Directory of Open Access Journals (Sweden)
Hai-Bin Zuo
2015-07-01
Full Text Available Gasification of four biomass chars and anthracite char were investigated under a CO2 atmosphere using a thermo-gravimetric analyzer. Reactivity differences of chars were considered in terms of pyrolysis temperature, char types, crystallinity, and inherent minerals. The results show that the gasification reactivity of char decreased with the increase of pyrolysis temperature. Char gasification reactivity followed the order of anthracite coal char (AC-char ˂ pine sawdust char (PS-char ˂ peanut hull char (PH-char ˂ wheat straw char (WS-char ˂ corncob char (CB-char under the same pyrolysis temperature. Two repesentative gas-solid models, the random pore model (RPM and the modified random pore model (MRPM, were applied to describe the reactive behaviour of chars. The results indicate RPM performs well to describe gasification rates of chars but cannot predict the phenomenon that there appears to exist a peak conversion for biomass chars at a high conversion rate, where the MRPM performs better.
Quick Look Report for Chemical Reactivity Modeling of Various Multi-Canister Overpack Breaches
International Nuclear Information System (INIS)
Bratton, Robert Lawrence
2002-01-01
. A uranium oxide coating covers the exposed uranium metal, yet uranium hydride can still form under the protective oxide coating over the 40-year interim storage time span. The current treatment process at Hanford does not remove chemically bound water contained in the hydrates or in the waters of hydration. The chemically bound water is the source material for hydrogen production over the 40-year storage time. So, additional uranium hydride creates concerns that breaches of an MCO with the appropriate size openings could result in the onset of bulk uranium oxidation with the potential of a self-sustaining thermal excursion or pyrophoric event. For this analysis, the worst-case scenario appears to be the match head configuration in a vertically standing MCO, where all the reactive surface area is placed on the tips of the fuel elements. This configuration concentrates the heat-producing chemical reaction at the tips of the fuel elements. Because no mechanistic drop analysis has been performed at this time to determine the MCO failure modes, parametric breach configurations were chosen in this analysis to determine the MCOs external thermal response range. The first breach is a pair of holes that suddenly open in the MCO wall. This thermal excursion is controlled by the ''thermal chimney effect'' in the 4.27-m (14-ft) tall canisters caused by the multiple holes breach (one high and one low). A second breach where the MCO lid is suddenly removed and exposed to the ambient air environment is evaluated. This thermal excursion is controlled by the countercurrent flow through the top of the MCO. Computer models for these breach configurations were constructed and executed
Reactive flow simulation in complex 3D geometries using the COM3D code
International Nuclear Information System (INIS)
Breitung, W.; Kotchourko, A.; Veser, A.; Scholtyssek, W.
1999-01-01
The COM3D code, under development at the Forschungszentrum Karlsruhe (FZK), is a 3-d CFD code to describe turbulent combustion phenomena in complex geometries. It is intended to be part of the advanced integral code system for containment analysis (INCA) which includes in addition GASFLOW for distribution calculations, V3D for slow combustion and DET3D for detonation analysis. COM3D uses a TVD-solver and optional models for turbulence, chemistry and thermodynamics. The hydrodynamic model considers mass, momentum and energy conservation. Advanced procedures were provided to facilitate grid-development for complex 3-d structures. COM3D was validated on experiments performed on different scales with generally good agreement for important physical quantities. The code was applied to combustion analysis of a large PWR. The initial conditions were obtained from a GASFLOW distribution analysis for a LOOP scenario. Results are presented concerning flame propagation and pressure evolution in the containment which clearly demonstrate the effects of internal structures, their influence on turbulence formation and consequences for local loads. (author)
Approaches to Modeling Coupled Flow and Reaction in a 2-D Cementation Experiment
Energy Technology Data Exchange (ETDEWEB)
Steefel, Carl; Cochepin, B.; Trotignon, L.; Bildstein, O.; Steefel, C.; Lagneau, V.; van der Lee, J.
2008-04-01
Porosity evolution at reactive interfaces is a key process that governs the evolution and performances of many engineered systems that have important applications in earth and environmental sciences. This is the case, for example, at the interface between cement structures and clays in deep geological nuclear waste disposals. Although in a different transport regime, similar questions arise for permeable reactive barriers used for biogeochemical remediation in surface environments. The COMEDIE project aims at investigating the coupling between transport, hydrodynamics and chemistry when significant variations of porosity occur. The present work focuses on a numerical benchmark used as a design exercise for the future COMEDIE-2D experiment. The use of reactive transport simulation tools like Hytec and Crunch provides predictions of the physico-chemical evolutions that are expected during the future experiments in laboratory. Focus is given in this paper on the evolution during the simulated experiment of precipitate, permeability and porosity fields. A first case is considered in which the porosity is constant. Results obtained with Crunch and Hytec are in relatively good agreement. Differences are attributable to the models of reactive surface area taken into account for dissolution/precipitation processes. Crunch and Hytec simulations taking into account porosity variations are then presented and compared. Results given by the two codes are in qualitative agreement, with differences attributable in part to the models of reactive surface area for dissolution/precipitation processes. As a consequence, the localization of secondary precipitates predicted by Crunch leads to lower local porosities than for predictions obtained by Hytec and thus to a stronger coupling between flow and chemistry. This benchmark highlights the importance of the surface area model employed to describe systems in which strong porosity variations occur as a result of dissolution
Modeling liquid hydrogen cavitating flow with the full cavitation model
Energy Technology Data Exchange (ETDEWEB)
Zhang, X.B.; Qiu, L.M.; Qi, H.; Zhang, X.J.; Gan, Z.H. [Institute of Refrigeration and Cryogenic Engineering, Zhejiang University, Hangzhou 310027 (China)
2008-12-15
Cavitation is the formation of vapor bubbles within a liquid where flow dynamics cause the local static pressure to drop below the vapor pressure. This paper strives towards developing an effective computational strategy to simulate liquid hydrogen cavitation relevant to liquid rocket propulsion applications. The aims are realized by performing a steady state computational fluid dynamic (CFD) study of liquid hydrogen flow over a 2D hydrofoil and an axisymmetric ogive in Hord's reports with a so-called full cavitation model. The thermodynamic effect was demonstrated with the assumption of thermal equilibrium between the gas phase and liquid phase. Temperature-dependent fluid thermodynamic properties were specified along the saturation line from the ''Gaspak 3.2'' databank. Justifiable agreement between the computed surface pressure, temperature and experimental data of Hord was obtained. Specifically, a global sensitivity analysis is performed to examine the sensitivity of the turbulent computations to the wall grid resolution, wall treatments and changes in model parameters. A proper near-wall model and grid resolution were suggested. The full cavitation model with default model parameters provided solutions with comparable accuracy to sheet cavitation in liquid hydrogen for the two geometries. (author)
Valdes-Abellan, Javier; Jiménez-Martínez, Joaquín; Candela, Lucila; Jacques, Diederik; Kohfahl, Claus; Tamoh, Karim
2017-06-01
The use of non-conventional water (e.g., treated wastewater, desalinated water) for different purposes is increasing in many water scarce regions of the world. Its use for irrigation may have potential drawbacks, because of mineral dissolution/precipitation processes, such as changes in soil physical and hydraulic properties (e.g., porosity, permeability), modifying infiltration and aquifer recharge processes or blocking root growth. Prediction of soil and groundwater impacts is essential for achieving sustainable agricultural practices. A numerical model to solve unsaturated water flow and non-isothermal multicomponent reactive transport has been modified implementing the spatio-temporal evolution of soil physical and hydraulic properties. A long-term process simulation (30 years) of agricultural irrigation with desalinated water, based on a calibrated/validated 1D numerical model in a semi-arid region, is presented. Different scenarios conditioning reactive transport (i.e., rainwater irrigation, lack of gypsum in the soil profile, and lower partial pressure of CO2 (pCO2)) have also been considered. Results show that although boundary conditions and mineral soil composition highly influence the reactive processes, dissolution/precipitation of carbonate species is triggered mainly by pCO2, closely related to plant roots. Calcite dissolution occurs in the root zone, precipitation takes place under it and at the soil surface, which will lead a root growth blockage and a direct soil evaporation decrease, respectively. For the studied soil, a gypsum dissolution up to 40 cm depth is expected at long-term, with a general increase of porosity and hydraulic conductivity.
Modeling microcirculatory blood flow: current state and future perspectives.
Gompper, Gerhard; Fedosov, Dmitry A
2016-01-01
Microvascular blood flow determines a number of important physiological processes of an organism in health and disease. Therefore, a detailed understanding of microvascular blood flow would significantly advance biophysical and biomedical research and its applications. Current developments in modeling of microcirculatory blood flow already allow to go beyond available experimental measurements and have a large potential to elucidate blood flow behavior in normal and diseased microvascular networks. There exist detailed models of blood flow on a single cell level as well as simplified models of the flow through microcirculatory networks, which are reviewed and discussed here. The combination of these models provides promising prospects for better understanding of blood flow behavior and transport properties locally as well as globally within large microvascular networks. © 2015 Wiley Periodicals, Inc.
Mills, R. T.; Rupp, K.; Smith, B. F.; Brown, J.; Knepley, M.; Zhang, H.; Adams, M.; Hammond, G. E.
2017-12-01
As the high-performance computing community pushes towards the exascale horizon, power and heat considerations have driven the increasing importance and prevalence of fine-grained parallelism in new computer architectures. High-performance computing centers have become increasingly reliant on GPGPU accelerators and "manycore" processors such as the Intel Xeon Phi line, and 512-bit SIMD registers have even been introduced in the latest generation of Intel's mainstream Xeon server processors. The high degree of fine-grained parallelism and more complicated memory hierarchy considerations of such "manycore" processors present several challenges to existing scientific software. Here, we consider how the massively parallel, open-source hydrologic flow and reactive transport code PFLOTRAN - and the underlying Portable, Extensible Toolkit for Scientific Computation (PETSc) library on which it is built - can best take advantage of such architectures. We will discuss some key features of these novel architectures and our code optimizations and algorithmic developments targeted at them, and present experiences drawn from working with a wide range of PFLOTRAN benchmark problems on these architectures.
Grier, David D; Al-Quran, Samer Z; Cardona, Diana M; Li, Ying; Braylan, Raul C
2012-01-01
The diagnosis of B-cell lymphoma (BCL) is often dependent on the detection of clonal immunoglobulin (Ig) light chain expression. In some BCLs, the determination of clonality based on Ig light chain restriction may be difficult. The aim of our study was to assess the utility of flow cytometric analysis of surface Ig heavy chain (HC) expression in lymphoid tissues in distinguishing lymphoid hyperplasias from BCLs, and also differentiating various BCL subtypes. HC expression on B-cells varied among different types of hyperplasias. In follicular hyperplasia, IgM and IgD expression was high in mantle cells while germinal center cells showed poor HC expression. In other hyperplasias, B cell compartments were blurred but generally showed high IgD and IgM expression. Compared to hyperplasias, BCLs varied in IgM expression. Small lymphocytic lymphomas had lower IgM expression than mantle cell lymphomas. Of importance, IgD expression was significantly lower in BCLs than in hyperplasias, a finding that can be useful in differentiating lymphoma from reactive processes. PMID:22400070
International Nuclear Information System (INIS)
Popov, Pavel P.; Pope, Stephen B.
2014-01-01
This work addresses the issue of particle mass consistency in Large Eddy Simulation/Probability Density Function (LES/PDF) methods for turbulent reactive flows. Numerical schemes for the implicit and explicit enforcement of particle mass consistency (PMC) are introduced, and their performance is examined in a representative LES/PDF application, namely the Sandia–Sydney Bluff-Body flame HM1. A new combination of interpolation schemes for velocity and scalar fields is found to better satisfy PMC than multilinear and fourth-order Lagrangian interpolation. A second-order accurate time-stepping scheme for stochastic differential equations (SDE) is found to improve PMC relative to Euler time stepping, which is the first time that a second-order scheme is found to be beneficial, when compared to a first-order scheme, in an LES/PDF application. An explicit corrective velocity scheme for PMC enforcement is introduced, and its parameters optimized to enforce a specified PMC criterion with minimal corrective velocity magnitudes
Energy Technology Data Exchange (ETDEWEB)
Fernandes, Julliana de P.V.; Guimaraes, Leonardo J. do N.; Gomes, Igor F.; Pontes Filho, Ivaldo Dario da S. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil)
2008-07-01
Recently, many new constitutive models for geomechanical materials were developed taking into account its complex behavior. The continuum damage mechanics, formulated according to irreversible thermodynamics principles, can be used to model materials subjected to degradation of its mechanical properties. Reservoir depletion may result in compaction and subsidence that induces fault reactivation, among others consequences. The fault reactivation problem in petroleum reservoirs has been widely studied as its changes completely the flow regime in subsurface. Isotropic damage model can be used to model the fault reactivation process, where its hydro-mechanical properties (stiffness and permeability) are affected during the reservoir production. In this paper, a fault reactivation case in a synthetic reservoir is presented and a sensibility analysis is carried out to identify the main variables that influence this process. (author)
International Nuclear Information System (INIS)
Wang Yanlin; Chen Bingde; Huang Yanping; Wang Junfeng
2011-01-01
A theoretical model was developed to predict the bubbly to churn flow pattern transition for vertical upward flows in narrow rectangular channel. The model was developed based on the imbalance theory of Helmholtz and some reasonable assumptions. The maximum ideal bubble in narrow rectangular channel and the thermal hydraulics boundary condition leading to bubbly flow to churn flow pattern transition was calculated. The model was validated by experimental data from previous researches. Comparison between predicted result and experimental result shows a reasonable good agreement. (author)
Domènech, Cristina; Galí, Salvador; Villanova-de-Benavent, Cristina; Soler, Josep M.; Proenza, Joaquín A.
2017-10-01
Oxide-type Ni-laterite deposits are characterized by a dominant limonite zone with goethite as the economically most important Ni ore mineral and a thin zone of hydrous Mg silicate-rich saprolite beneath the magnesium discontinuity. Fe, less soluble, is mainly retained forming goethite, while Ni is redeposited at greater depth in a Fe(III) and Ni-rich serpentine (serpentine II) or in goethite, where it adsorbs or substitutes for Fe in the mineral structure. Here, a 1D reactive transport model, using CrunchFlow, of Punta Gorda oxide-type Ni-laterite deposit (Moa Bay, Cuba) formation is presented. The model reproduces the formation of the different laterite horizons in the profile from an initial, partially serpentinized peridotite, in 106 years, validating the conceptual model of the formation of this kind of deposits in which a narrow saprolite horizon rich in Ni-bearing serpentine is formed above peridotite parent rock and a thick limonite horizon is formed over saprolite. Results also confirm that sorption of Ni onto goethite can explain the weight percent of Ni found in the Moa goethite. Sensitivity analyses accounting for the effect of key parameters (composition, dissolution rate, carbonate concentration, quartz precipitation) on the model results are also presented. It is found that aqueous carbonate concentration and quartz precipitation significantly affects the laterization process rate, while the effect of the composition of secondary serpentine or of mineral dissolution rates is minor. The results of this reactive transport modeling have proven useful to validate the conceptual models derived from field observations.
Xie, M.; Mayer, U. K.; MacQuarrie, K. T. B.
2017-12-01
Water with total dissolved sulfide in excess of 1 mmol L-1is widely found in groundwater at intermediate depths in sedimentary basins, including regions of the Michigan basin in southeastern Ontario, Canada. Conversely, at deeper and shallower depths, relatively low total dissolved sulfide concentrations have been reported. The mechanisms responsible for the occurrence of these brackish sulfide-containing waters are not fully understood. Anaerobic microbial sulfate reduction is a common process resulting in the formation of high sulfide concentrations. Sulfate reduction rates depend on many factors including the concentration of sulfate, the abundance of organic substances, redox conditions, temperature, salinity and the species of sulfate reducing bacteria (SRB). A sedimentary basin-specific conceptual model considering the effect of salinity on the rate of sulfate reduction was developed and implemented in the reactive transport model MIN3P-THCm. Generic 2D basin-scale simulations were undertaken to provide a potential explanation for the dissolved sulfide distribution observed in the Michigan basin. The model is 440 km in the horizontal dimension and 4 km in depth, and contains fourteen sedimentary rock units including shales, sandstones, limestones, dolostone and evaporites. The main processes considered are non-isothermal density dependent flow, kinetically-controlled mineral dissolution/precipitation and its feedback on hydraulic properties, cation exchange, redox reactions, biogenic sulfate reduction, and hydromechanical coupling due to glaciation-deglaciation events. Two scenarios were investigated focusing on conditions during an interglacial period and the transient evolution during a glaciation-deglaciation cycle. Inter-glaciation simulations illustrate that the presence of high salinity brines strongly suppress biogenic sulfate reduction. The transient simulations show that glaciation-deglaciation cycles can have an impact on the maximum depth of
International Nuclear Information System (INIS)
Kwon, Young Min; Lee, Yong Bum; Chang, Won Pyo; Haha, Do Hee
2002-01-01
The radial core expansion due to the structure temperature rise is one of major negative reactivity insertion mechanisms in metallic fueled reactor. Thermal expansion is a result of both the laws of nature and the particular core design and it causes negative reactivity feedback by the combination of increased core volume captures and increased core surface leakage. The simple radial core expansion reactivity feedback model developed for the SSC-K code was evaluated by the code-to-code comparison analysis. From the comparison results, it can be stated that the radial core expansion reactivity feedback model employed into the SSC-K code may be reasonably accurate in the UTOP analysis
Energy Technology Data Exchange (ETDEWEB)
Kwon, Young Min; Lee, Yong Bum; Chang, Won Pyo; Haha, Do Hee [KAERI, Taejon (Korea, Republic of)
2002-10-01
The radial core expansion due to the structure temperature rise is one of major negative reactivity insertion mechanisms in metallic fueled reactor. Thermal expansion is a result of both the laws of nature and the particular core design and it causes negative reactivity feedback by the combination of increased core volume captures and increased core surface leakage. The simple radial core expansion reactivity feedback model developed for the SSC-K code was evaluated by the code-to-code comparison analysis. From the comparison results, it can be stated that the radial core expansion reactivity feedback model employed into the SSC-K code may be reasonably accurate in the UTOP analysis.
RELAPS choked flow model and application to a large scale flow test
International Nuclear Information System (INIS)
Ransom, V.H.; Trapp, J.A.
1980-01-01
The RELAP5 code was used to simulate a large scale choked flow test. The fluid system used in the test was modeled in RELAP5 using a uniform, but coarse, nodalization. The choked mass discharge rate was calculated using the RELAP5 choked flow model. The calulations were in good agreement with the test data, and the flow was calculated to be near thermal equilibrium
Novel simplified hourly energy flow models for photovoltaic power systems
International Nuclear Information System (INIS)
Khatib, Tamer; Elmenreich, Wilfried
2014-01-01
Highlights: • We developed an energy flow model for standalone PV system using MATLAB line code. • We developed an energy flow model for hybrid PV/wind system using MATLAB line code. • We developed an energy flow model for hybrid PV/diesel system using MATLAB line code. - Abstract: This paper presents simplified energy flow models for photovoltaic (PV) power systems using MATLAB. Three types of PV power system are taken into consideration namely standalone PV systems, hybrid PV/wind systems and hybrid PV/diesel systems. The logic of the energy flow for each PV power system is discussed first and then the MATLAB line codes for these models are provided and explained. The results prove the accuracy of the proposed models. Such models help modeling and sizing PV systems
Modeling sheet-flow sand transport under progressive surface waves
Kranenburg, Wouter
2013-01-01
In the near-shore zone, energetic sea waves generate sheet-flow sand transport. In present day coastal models, wave-induced sheet-flow sand transport rates are usually predicted with semi-empirical transport formulas, based on extensive research on this phenomenon in oscillatory flow tunnels.
3-D numerical modelling of flow around a groin
DEFF Research Database (Denmark)
Miller, R.; Roulund, A.; Sumer, B. Mutlu
2003-01-01
A 3-D flow code, EllipSys3D, has been implemented to simulate the 3-D flow around a groin in steady current. The k turbulence model has been used for closure. Two kinds of groins are considered: (1) A vertical-wall groin, and (2) A groin with a side slope. Steady-flow simulations were conducted...
Computational model on pulsatile flow of blood through a tapered ...
Indian Academy of Sciences (India)
S PRIYADHARSHINI
2017-11-02
Nov 2, 2017 ... It is pertinent to note that the magnitudes of flow resistance are higher in the case of ... mathematical model on non-Newtonian flow of blood through a ..... The important predictions of the present investigation are enumerating the .... drug carriers for targeted drug delivery, reducing blood flow at the time of ...
Developing a planning model to estimate future cash flows.
Barenbaum, L; Monahan, T F
1988-03-01
Financial managers are discovering that net income and other traditional measures of cash flow may not provide them with the flexibility needed for comprehensive internal planning and control. By using a discretionary cash flow model, financial managers have a forecasting tool that can help them measure anticipated cash flows, and make better decisions concerning financing alternatives, capital expansion, and performance appraisal.
Turolla, Andrea; Piazzoli, Andrea; Budarz, Jeffrey Farner; Wiesner, Mark R; Antonelli, Manuela
2015-07-01
The generation of reactive species in titanium dioxide (TiO 2 ) nanoparticle photocatalysis was assessed in a laboratory scale setup, in which P25 Aeroxide TiO 2 suspensions were photoactivated by means of UV-A radiation. Photogenerated holes and hydroxyl radicals were monitored over time by observing their selective reaction with probe compounds, iodide and terephthalic acid, respectively. TiO 2 aggregate size and structure were characterized over the reaction time. Reactive species quenching was then described by a model, accounting for radiative phenomena, TiO 2 nanoparticle aggregation and kinetic reactions. The interaction between iodide and photogenerated holes was influenced by iodide adsorption on TiO 2 surface, described by a Langmuir-Hinshelwood mechanism, whose parameters were studied as a function of TiO 2 concentration and irradiation time. Iodide oxidation was effectively simulated by modelling the reaction volume as a completely stirred two-dimensional domain, in which irradiation phenomena were described by a two-flux model and the steady state for reactive species was assumed. The kinetic parameters for iodide adsorption and oxidation were estimated and successfully validated in a different experimental setup. The same model was adapted to describe the oxidation of terephthalic acid by hydroxyl radicals. The kinetic parameters for terephthalic acid oxidation were estimated and validated, while the issues in investigating the interaction mechanisms among the involved species have been discussed. The sensitivity of operating parameters on model response was assessed and the most relevant parameters were highlighted.
Modeling flow-accelerated corrosion in CANDU
International Nuclear Information System (INIS)
Burrill, K.A.
1995-11-01
Flow-accelerated corrosion (FAC) of large areas of carbon steel in various circuits of CANDU plants generates significant quantities of corrosion products. As well, the relatively rapid corrosion rate can lead to operating difficulties with some components. Three areas in the plant are identified and a simple model of mass-transfer controlled corrosion of the carbon steel is derived and applied to these areas. The areas and the significant finding for each are given below: A number of lines in the feedwater system generate sludge by FAC, which causes steam generator fouling. Prediction of the steady-state iron concentration at the feedtrain outlet compares well with measured values. Carbon steel outlet feeders connect the reactor core with the steam generators. The feeder surface provides the dissolved iron through FAC, which fouls the primary side of the steam generator tubes, and can lead to derating of the plant and difficulty in tube inspection. Segmented carbon steel divider plates in the steam generator primary head leak at an increasing rate with time. The leakage rate is strongly dependent on the tightness of the overlapping joints. which undergo FAC at an increasing rate with time. (author) 7 refs., 5 tabs., 6 figs
Modelling of high-enthalpy, high-Mach number flows
International Nuclear Information System (INIS)
Degrez, G; Lani, A; Panesi, M; Chazot, O; Deconinck, H
2009-01-01
A review is made of the computational models of high-enthalpy flows developed over the past few years at the von Karman Institute and Universite Libre de Bruxelles, for the modelling of high-enthalpy hypersonic (re-)entry flows. Both flows in local thermo-chemical equilibrium (LTE) and flows in thermo-chemical non-equilibrium (TCNEQ) are considered. First, the physico-chemical models are described, i.e. the set of conservation laws, the thermodynamics, transport phenomena and chemical kinetics models. Particular attention is given to the correct modelling of elemental (LTE flows) and species (chemical non-equilibrium-CNEQ-flows) transport. The numerical algorithm, based on a state-of-the-art finite volume discretization, is then briefly described. Finally, selected examples are included to illustrate the capabilities of the developed solver. (review article)
Modelling of Churn-Annular foam flows
Westende, J.M.C. van 't; Shoeibi Omrani, P.; Vercauteren, F.F.; Nennie, E.D.
2016-01-01
Foam assisted lift is a deliquification method in the oil and gas industry, which aims to prevent or postpone countercurrent gas-liquid flow in maturing gas wells or to assist in removing downhole accumulated liquids. According to Nimwegen, who performed experiments with foam flows, foam
Spatial modeling of potential woody biomass flow
Woodam Chung; Nathaniel Anderson
2012-01-01
The flow of woody biomass to end users is determined by economic factors, especially the amount available across a landscape and delivery costs of bioenergy facilities. The objective of this study develop methodology to quantify landscape-level stocks and potential biomass flows using the currently available spatial database road network analysis tool. We applied this...
Li, Cheng
Wind farms, photovoltaic arrays, fuel cells, and micro-turbines are all considered to be Distributed Generation (DG). DG is defined as the generation of power which is dispersed throughout a utility's service territory and either connected to the utility's distribution system or isolated in a small grid. This thesis addresses modeling and economic issues pertaining to the optimal reactive power planning for distribution system with wind power generation (WPG) units. Wind farms are inclined to cause reverse power flows and voltage variations due to the random-like outputs of wind turbines. To deal with this kind of problem caused by wide spread usage of wind power generation, this thesis investigates voltage and reactive power controls in such a distribution system. Consequently static capacitors (SC) and transformer taps are introduced into the system and treated as controllers. For the purpose of getting optimum voltage and realizing reactive power control, the research proposes a proper coordination among the controllers like on-load tap changer (OLTC), feeder-switched capacitors. What's more, in order to simulate its uncertainty, the wind power generation is modeled by the Markov model. In that way, calculating the probabilities for all the scenarios is possible. Some outputs with consecutive and discrete values have been used for transition between successive time states and within state wind speeds. The thesis will describe the method to generate the wind speed time series from the transition probability matrix. After that, utilizing genetic algorithm, the optimal locations of SCs, the sizes of SCs and transformer taps are determined so as to minimize the cost or minimize the power loss, and more importantly improve voltage profiles. The applicability of the proposed method is verified through simulation on a 9-bus system and a 30-bus system respectively. At last, the simulation results indicate that as long as the available capacitors are able to sufficiently
Zhang, Hubao; Schwartz, Frank W.; Wood, Warren W.; Garabedian, S.P.; LeBlanc, D.R.
1998-01-01
A multispecies numerical code was developed to simulate flow and mass transport with kinetic adsorption in variable-density flow systems. The two-dimensional code simulated the transport of bromide (Br−), a nonreactive tracer, and lithium (Li+), a reactive tracer, in a large-scale tracer test performed in a sand-and-gravel aquifer at Cape Cod, Massachusetts. A two-fraction kinetic adsorption model was implemented to simulate the interaction of Li+ with the aquifer solids. Initial estimates for some of the transport parameters were obtained from a nonlinear least squares curve-fitting procedure, where the breakthrough curves from column experiments were matched with one-dimensional theoretical models. The numerical code successfully simulated the basic characteristics of the two plumes in the tracer test. At early times the centers of mass of Br− and Li+ sank because the two plumes were closely coupled to the density-driven velocity field. At later times the rate of downward movement in the Br− plume due to gravity slowed significantly because of dilution by dispersion. The downward movement of the Li+ plume was negligible because the two plumes moved in locally different velocity regimes, where Li+ transport was retarded relative to Br−. The maximum extent of downward transport of the Li+ plume was less than that of the Br− plume. This study also found that at early times the downward movement of a plume created by a three-dimensional source could be much more extensive than the case with a two-dimensional source having the same cross-sectional area. The observed shape of the Br− plume at Cape Cod was simulated by adding two layers with different hydraulic conductivities at shallow depth across the region. The large dispersion and asymmetrical shape of the Li+ plume were simulated by including kinetic adsorption-desorption reactions.
International Nuclear Information System (INIS)
Mukhopadhyay, Sumit; Sonnenthal, Eric L.; Spycher, Nicolas
2007-01-01
When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However
International Nuclear Information System (INIS)
Mukhopadhyay, S.; Sonnenthal, E.L.; Spycher, N.
2007-01-01
When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO 2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However
Energy Technology Data Exchange (ETDEWEB)
Soler, Josep M., E-mail: josep.soler@idaea.csic.es [IDAEA-CSIC, Jordi Girona 18-26, 08034 Barcelona (Spain); Vuorio, Marja; Hautojaervi, Aimo [POSIVA OY, Olkiluoto, FI-27160 Eurajoki (Finland)
2011-07-15
Highlights: > It is planned to seal conductive fractures near a repository with cementitious grout. > Modeling includes simultaneous hydration and leaching of the grout. > Modeling results show a very limited formation of the high-pH plume. > Results are in qualitative agreement with borehole monitoring data. - Abstract: Grouting of water-conducting fractures with low-alkali cement is foreseen for the potential future repository for spent nuclear fuel in Finland (ONKALO). A possible consequence of the interaction between groundwater and grout is the formation of high-pH solutions which will be able to react with the host rock (gneisses) and alter its mineralogy and porosity. A reactive transport modeling study of this possible alteration has been conducted. First, the hydration of the low-alkali cementitious grout has been modeled, using results from the literature as a guide. The hydrated cement is characterized by the absence of portlandite and the presence of a C-S-H gel with a Ca/Si ratio about 0.8 after tens of years (Ca/Si is about 1.7 in Ordinary Portland Cement). Second, calculations have simulated the interaction between flowing water and grout and the formation of an alkalinity plume, which flows beyond the grouted section of the fracture. The calculations include the hydration and simultaneous leaching of the grout through diffusive exchange between the porewater in the grout and the flowing water in the fracture. The formation of an alkaline plume is extremely limited when the low-pH grout is used. Even when using a grout with a lower silica fume content, the extent and magnitude of the alkaline plume is quite minor. These results are in qualitative agreement with monitoring at ONKALO.
Inverse modeling of multicomponent reactive transport through single and dual porosity media
Samper, Javier; Zheng, Liange; Fernández, Ana María; Montenegro, Luis
2008-06-01
Compacted bentonite is foreseen as buffer material for high-level radioactive waste in deep geological repositories because it provides hydraulic isolation, chemical stability, and radionuclide sorption. A wide range of laboratory tests were performed within the framework of FEBEX ( Full-scale Engineered Barrier EXperiment) project to characterize buffer properties and develop numerical models for FEBEX bentonite. Here we present inverse single and dual-continuum multicomponent reactive transport models of a long-term permeation test performed on a 2.5 cm long sample of FEBEX bentonite. Initial saline bentonite porewater was flushed with 5.5 pore volumes of fresh granitic water. Water flux and chemical composition of effluent waters were monitored during almost 4 years. The model accounts for solute advection and diffusion and geochemical reactions such as aqueous complexation, acid-base, cation exchange, protonation/deprotonation by surface complexation and dissolution/precipitation of calcite, chalcedony and gypsum. All of these processes are assumed at local equilibrium. Similar to previous studies of bentonite porewater chemistry on batch systems which attest the relevance of protonation/deprotonation on buffering pH, our results confirm that protonation/deprotonation is a key process in maintaining a stable pH under dynamic transport conditions. Breakthrough curves of reactive species are more sensitive to initial porewater concentration than to effective diffusion coefficient. Optimum estimates of initial porewater chemistry of saturated compacted FEBEX bentonite are obtained by solving the inverse problem of multicomponent reactive transport. While the single-continuum model reproduces the trends of measured data for most chemical species, it fails to match properly the long tails of most breakthrough curves. Such limitation is overcome by resorting to a dual-continuum reactive transport model.
Tang, Xian-Zhu; McDevitt, C. J.; Guo, Zehua; Berk, H. L.
2014-03-01
Inertial confinement fusion requires an imploded target in which a central hot spot is surrounded by a cold and dense pusher. The hot spot/pusher interface can take complicated shape in three dimensions due to hydrodynamic mix. It is also a transition region where the Knudsen and inverse Knudsen layer effect can significantly modify the fusion reactivity in comparison with the commonly used value evaluated with background Maxwellians. Here, we describe a hybrid model that couples the kinetic correction of fusion reactivity to global hydrodynamic implosion simulations. The key ingredient is a non-perturbative treatment of the tail ions in the interface region where the Gamow ion Knudsen number approaches or surpasses order unity. The accuracy of the coupling scheme is controlled by the precise criteria for matching the non-perturbative kinetic model to perturbative solutions in both configuration space and velocity space.
International Nuclear Information System (INIS)
Yabusaki, Steven B.; Fang, Yilin; Waichler, Scott R.
2008-01-01
Subsurface simulation is being used to build, test, and couple conceptual process models to better understand controls on a 0.4 km by 1.0 km uranium plume that has persisted above the drinking water standard in the groundwater of the Hanford 300 Area over the last 15 years. At this site, uranium-contaminated sediments in the vadose zone and aquifer are subject to significant variations in water levels and velocities driven by the diurnal, weekly, seasonal, and episodic Columbia River stage dynamics. Groundwater flow reversals typically occur twice a day with significant exchange of river water and groundwater in the near-river aquifer. Mixing of the dilute solution chemistry of the river with the groundwater complicates the uranium sorption behavior as the mobility of U(VI) has been shown experimentally to be a function of pH, carbonate, calcium, and uranium. Furthermore, uranium mass transfer between solid and aqueous phases has been observed to be rate-limited in the context of the high groundwater velocities resulting from the river stage fluctuations and the highly transmissive sediments (hydraulic conductivities ∼1500 m/d). One- and two-dimensional vertical cross-sectional simulations of variably-saturated flow and reactive transport, based on laboratory-derived models of distributed rate mass transfer and equilibrium multicomponent surface complexation, are used to assess uranium transport at the dynamic vadose zone aquifer interface as well as changes to uranium mobility due to incursions of river water into the aquifer
Directory of Open Access Journals (Sweden)
Ahmet Koksoy
2018-03-01
Full Text Available Wind turbine generating systems (WTGSs, which are conventionally connected to high voltage transmission networks, have frequently been employed as distributed generation units in today’s distribution networks. In practice, the distribution networks always have unbalanced bus voltages and line currents due to uneven distribution of single or double phase loads over three phases and asymmetry of the lines, etc. Accordingly, in this study, for the load flow analysis of the distribution networks, Conventional Fixed speed Induction Generator (CFIG based WTGS, one of the most widely used WTGS types, is modelled under unbalanced voltage conditions. The Developed model has active and reactive power expressions in terms of induction machine impedance parameters, terminal voltages and input power. The validity of the Developed model is confirmed with the experimental results obtained in a test system. The results of the slip calculation based phase-domain model (SCP Model, which was previously proposed in the literature for CFIG based WTGSs under unbalanced voltages, are also given for the comparison. Finally, the Developed model and the SCP model are implemented in the load flow analysis of the IEEE 34 bus test system with the CFIG based WTGSs and unbalanced loads. Thus, it is clearly pointed out that the results of the load flow analysis implemented with both models are very close to each other, and the Developed model is computationally more efficient than the SCP model.
Energy Technology Data Exchange (ETDEWEB)
Reimus, Paul W [Los Alamos National Laboratory
2010-12-08
A process-oriented modeling approach is implemented to examine the importance of parameter variances, correlation lengths, and especially cross-correlations in contaminant transport predictions over large scales. It is shown that the most important consideration is the correlation between flow rates and retardation processes (e.g., sorption, matrix diffusion) in the system. lf flow rates are negatively correlated with retardation factors in systems containing multiple flow pathways, then characterizing these negative correlation(s) may have more impact on reactive transport modeling than microscale information. Such negative correlations are expected in porous-media systems where permeability is negatively correlated with clay content and rock alteration (which are usually associated with increased sorption). Likewise, negative correlations are expected in fractured rocks where permeability is positively correlated with fracture apertures, which in turn are negatively correlated with sorption and matrix diffusion. Parameter variances and correlation lengths are also shown to have important effects on reactive transport predictions, but they are less important than parameter cross-correlations. Microscale information pertaining to contaminant transport has become more readily available as characterization methods and spectroscopic instrumentation have achieved lower detection limits, greater resolution, and better precision. Obtaining detailed mechanistic insights into contaminant-rock-water interactions is becoming a routine practice in characterizing reactive transport processes in groundwater systems (almost necessary for high-profile publications). Unfortunately, a quantitative link between microscale information and flow and transport parameter distributions or cross-correlations has not yet been established. One reason for this is that quantitative microscale information is difficult to obtain in complex, heterogeneous systems. So simple systems that lack the
International Nuclear Information System (INIS)
Evans, G.T.
1987-01-01
The differential orientational cross section, obtainable from molecular beam experiments on aligned molecules, is calculated using the line-of-normals model for reactive collisions involving hard convex bodies. By means of kinetic theory methods, the dependence of the cross section on the angle of attack γ 0 is expressed in a Legendre function expansion. Each of the Legendre expansion coefficients is given by an integral over the molecule-fixed cross section and functions of the orientation dependent threshold energy
Directory of Open Access Journals (Sweden)
F. C. PEIXOTO
1999-09-01
Full Text Available Fragmentation kinetics is employed to model a continuous reactive mixture of alkanes under catalytic cracking conditions. Standard moment analysis techniques are employed, and a dynamic system for the time evolution of moments of the mixture's dimensionless concentration distribution function (DCDF is found. The time behavior of the DCDF is recovered with successive estimations of scaled gamma distributions using the moments time data.
Comparison of PDF and Moment Closure Methods in the Modeling of Turbulent Reacting Flows
Norris, Andrew T.; Hsu, Andrew T.
1994-01-01
In modeling turbulent reactive flows, Probability Density Function (PDF) methods have an advantage over the more traditional moment closure schemes in that the PDF formulation treats the chemical reaction source terms exactly, while moment closure methods are required to model the mean reaction rate. The common model used is the laminar chemistry approximation, where the effects of turbulence on the reaction are assumed negligible. For flows with low turbulence levels and fast chemistry, the difference between the two methods can be expected to be small. However for flows with finite rate chemistry and high turbulence levels, significant errors can be expected in the moment closure method. In this paper, the ability of the PDF method and the moment closure scheme to accurately model a turbulent reacting flow is tested. To accomplish this, both schemes were used to model a CO/H2/N2- air piloted diffusion flame near extinction. Identical thermochemistry, turbulence models, initial conditions and boundary conditions are employed to ensure a consistent comparison can be made. The results of the two methods are compared to experimental data as well as to each other. The comparison reveals that the PDF method provides good agreement with the experimental data, while the moment closure scheme incorrectly shows a broad, laminar-like flame structure.
Biofuel gasifier feedstock reactivity - explaining the differences and creating prediction models
Energy Technology Data Exchange (ETDEWEB)
Konttinen, J. (Jyvaeskylae Univ. (Finland)), Email: jukontti@jyu.fi; Moilanen, A. (VTT Processes, Espoo (Finland)); DeMartini, N.; Hupa, M. (AaboAkademi Univ., Turku (Finland))
2009-07-01
In this project in progress, the objective is to generate a method with reasonable cost and effort, to predict the gasification behavior of biomass fuels in a gasification reactor. The results of the project will help to understand the differences in the gasification behavior of biomass fuels. An essential hypothesis in the project is that the decrease of the catalysis properties of biomass ash will decrease biomass char gasification reactivity and thus the final carbon conversion. The project will involve TGA experiments to characterize char reactivity from 3 biomass fuels, ash characterization by fuel fractionation and SEM analysis; bench scale fluidized bed gasification for the 3 fuels; and kinetic modeling to include the change in the carbon conversion rate for different fuels as carbon gasification proceeds to completion. The constants and reactivity models will be used as part of a fluidized-bed gasification reactor model called. 'Carbon conversion predictor', in order to predict the effect of fuel ash composition on the gasification kinetics of biomass char. The University of Jyvaeskylae, Aabo Akademi University and VTT processes will work in cooperation with the private companies in Finland in the field of gasification. Also some cooperation in the USA will possibly be generated. The results of this project can be used in the design of commercial-scale biomass gasification reactors firing a variety of biomass fuels. (orig.)
de Mel, Sanjay; Li, Jenny Bei; Abid, Muhammad Bilal; Tang, Tiffany; Tay, Hui Ming; Ting, Wen Chang; Poon, Li Mei; Chung, Tae Hoon; Mow, Benjamin; Tso, Allison; Ong, Kiat Hoe; Chng, Wee Joo; Liu, Te Chih
2018-01-01
The WHO defines three categories of NK cell malignancies; extra nodal NK/T cell lymphoma (NKTCL), aggressive NK cell leukemia, and the provisional entity chronic lymphoproliferative disorder of NK cells (CLPD-NK). Although the flow cytometric (FC) phenotype of CLPD-NK has been described, studies on FC phenotype of NKTCL are limited. To the best of our knowledge ours is the first study to compare the phenotype of NKTCL, CLPD-NK, reactive NK lymphocytosis (RNKL), and normal NK cells using eight color (8C) FC. Specimens analyzed using the Euroflow8C NK Lymphoproliferative Disorder (NKLPD) panel between 2011 and 2014 were identified from our database. All samples were analyzed on the FACSCantoII cytometer. NK cells were identified as CD45+, smCD3-, CD19-, CD56+ and normal T-cells served as internal controls. The majority of NKTCL were CD56 bright, CD16 dim, CD57-, and CD94+. CLPD-NK and RNKL were predominantly CD56+ or dim with positive expression of CD16 and CD57 and weak CD94 expression. Antigen based statistical analyses showed robust division of samples along the NKTCL/normal CD56 bright NK cell and CLPD-NK/RNKL/normal CD56 positive NK cell groups. It was concluded that FC can reliably distinguish NKTCL from CLPD-NK, normal NK cells of CD56+ phenotype, and RNKL. It was proposed that the typical phenotype for NKTCL is: CD56 bright, CD16 dim with positive CD2, CD7, CD94, HLADR, CD25, CD26, and absent CD57. This resembles the phenotype of the CD56 bright immunoregulatory subset of NK cells which we therefore hypothesize is the cell of origin of NKTCL. © 2017 International Clinical Cytometry Society. © 2017 International Clinical Cytometry Society.
Post Audit of a Field Scale Reactive Transport Model of Uranium at a Former Mill Site
Curtis, G. P.
2015-12-01
Reactive transport of hexavalent uranium (U(VI)) in a shallow alluvial aquifer at a former uranium mill tailings site near Naturita CO has been monitored for nearly 30 years by the US Department of Energy and the US Geological Survey. Groundwater at the site has high concentrations of chloride, alkalinity and U(VI) as a owing to ore processing at the site from 1941 to 1974. We previously calibrated a multicomponent reactive transport model to data collected at the site from 1986 to 2001. A two dimensional nonreactive transport model used a uniform hydraulic conductivity which was estimated from observed chloride concentrations and tritium helium age dates. A reactive transport model for the 2km long site was developed by including an equilibrium U(VI) surface complexation model calibrated to laboratory data and calcite equilibrium. The calibrated model reproduced both nonreactive tracers as well as the observed U(VI), pH and alkalinity. Forward simulations for the period 2002-2015 conducted with the calibrated model predict significantly faster natural attenuation of U(VI) concentrations than has been observed by the persistent high U(VI) concentrations at the site. Alternative modeling approaches are being evaluating evaluated using recent data to determine if the persistence can be explained by multirate mass transfer models developed from experimental observations at the column scale(~0.2m), the laboratory tank scale (~2m), the field tracer test scale (~1-4m) or geophysical observation scale (~1-5m). Results of this comparison should provide insight into the persistence of U(VI) plumes and improved management options.
Modeling of high speed micro rotors in moderate flow confinement
Dikmen, E.; van der Hoogt, Peter; Aarts, Ronald G.K.M.; Sas, P.; Bergen, B.
2008-01-01
The recent developments in high speed micro rotating machinery lead to the need for multiphysical modeling of the rotor and the surrounding medium. In this study, thermal and flow induced effects on rotor dynamics of geometries with moderate flow confinement are studied. The structure is modeled via
Higher-order RANS turbulence models for separated flows
National Aeronautics and Space Administration — Higher-order Reynolds-averaged Navier-Stokes (RANS) models are developed to overcome the shortcomings of second-moment RANS models in predicting separated flows....
Altered explorative strategies and reactive coping style in the FSL rat model of depression
Directory of Open Access Journals (Sweden)
Salvatore eMagara
2015-04-01
Full Text Available Modeling depression in animals is based on the observation of behaviors interpreted as analogue to human symptoms. Typical tests used in experimental depression research are designed to evoke an either-or outcome. It is known that explorative and coping strategies are relevant for depression, however these aspects are generally not considered in animal behavioral testing. Here we investigate the Flinders Sensitive Line (FSL, a rat model of depression, compared to the Sprague-Dawley (SD rat in three independent tests where the animals are allowed to express a more extensive behavioral repertoire. The multivariate concentric square field™ (MCSF and the novel cage tests evoke exploratory behaviors in a novel environment and the home cage change test evokes social behaviors in the re-establishment of a social hierarchy. In the MCSF test, FSL rats exhibited less exploratory drive and more risk-assessment behavior compared to SD rats. When re-exposed to the arena, FSL, but not SD rats, increased their exploratory behavior compared to the first trial and displayed risk-assessment behavior to the same extent as SD rats. Thus, the behavior of FSL rats was more similar to that of SDs when the rats were familiar with the arena. In the novel cage test FSL rats exhibited a reactive coping style, consistent with the reduced exploration observed in the MCSF. Reactive coping is associated with less aggressive behavior. Accordingly, FSL rats displayed less aggressive behavior in the home cage change test. Taken together, our data show that FSL rats express altered explorative behavior and reactive coping style. Reduced interest is a core symptom of depression, and individuals with a reactive coping style are more vulnerable to the disease. Our results support the use of FSL rats as an animal model of depression and increase our understanding of the FSL rat beyond the behavioral dimensions targeted by the traditional depression-related tests.
International Trade Modelling Using Open Flow Networks: A Flow-Distance Based Analysis.
Shen, Bin; Zhang, Jiang; Li, Yixiao; Zheng, Qiuhua; Li, Xingsen
2015-01-01
This paper models and analyzes international trade flows using open flow networks (OFNs) with the approaches of flow distances, which provide a novel perspective and effective tools for the study of international trade. We discuss the establishment of OFNs of international trade from two coupled viewpoints: the viewpoint of trading commodity flow and that of money flow. Based on the novel model with flow distance approaches, meaningful insights are gained. First, by introducing the concepts of trade trophic levels and niches, countries' roles and positions in the global supply chains (or value-added chains) can be evaluated quantitatively. We find that the distributions of trading "trophic levels" have the similar clustering pattern for different types of commodities, and summarize some regularities between money flow and commodity flow viewpoints. Second, we find that active and competitive countries trade a wide spectrum of products, while inactive and underdeveloped countries trade a limited variety of products. Besides, some abnormal countries import many types of goods, which the vast majority of countries do not need to import. Third, harmonic node centrality is proposed and we find the phenomenon of centrality stratification. All the results illustrate the usefulness of the model of OFNs with its network approaches for investigating international trade flows.
International Nuclear Information System (INIS)
Fang, Yilin; Scheibe, Timothy D.; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E.; Lovley, Derek R.
2011-01-01
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species, multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
Fang, Yilin; Scheibe, Timothy D; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E; Lovley, Derek R
2011-03-25
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint-based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species and multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
Fang, Yilin; Scheibe, Timothy D.; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E.; Lovley, Derek R.
2011-03-01
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint-based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species and multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
Characteristics-based modelling of flow problems
International Nuclear Information System (INIS)
Saarinen, M.
1994-02-01
The method of characteristics is an exact way to proceed to the solution of hyperbolic partial differential equations. The numerical solutions, however, are obtained in the fixed computational grid where interpolations of values between the mesh points cause numerical errors. The Piecewise Linear Interpolation Method, PLIM, the utilization of which is based on the method of characteristics, has been developed to overcome these deficiencies. The thesis concentrates on the computer simulation of the two-phase flow. The main topics studied are: (1) the PLIM method has been applied to study the validity of the numerical scheme through solving various flow problems to achieve knowledge for the further development of the method, (2) the mathematical and physical validity and applicability of the two-phase flow equations based on the SFAV (Separation of the two-phase Flow According to Velocities) approach has been studied, and (3) The SFAV approach has been further developed for particular cases such as stratified horizontal two-phase flow. (63 refs., 4 figs.)
Energy Technology Data Exchange (ETDEWEB)
Zhu, Chen
2015-03-31
An important question for the Carbon Capture, Storage, and Utility program is “can we adequately predict the CO2 plume migration?” For tracking CO2 plume development, the Sleipner project in the Norwegian North Sea provides more time-lapse seismic monitoring data than any other sites, but significant uncertainties still exist for some of the reservoir parameters. In Part I, we assessed model uncertainties by applying two multi-phase compositional simulators to the Sleipner Benchmark model for the uppermost layer (Layer 9) of the Utsira Sand and calibrated our model against the time-lapsed seismic monitoring data for the site from 1999 to 2010. Approximate match with the observed plume was achieved by introducing lateral permeability anisotropy, adding CH4 into the CO2 stream, and adjusting the reservoir temperatures. Model-predicted gas saturation, CO2 accumulation thickness, and CO2 solubility in brine—none were used as calibration metrics—were all comparable with the interpretations of the seismic data in the literature. In Part II & III, we evaluated the uncertainties of predicted long-term CO2 fate up to 10,000 years, due to uncertain reaction kinetics. Under four scenarios of the kinetic rate laws, the temporal and spatial evolution of CO2 partitioning into the four trapping mechanisms (hydrodynamic/structural, solubility, residual/capillary, and mineral) was simulated with ToughReact, taking into account the CO2-brine-rock reactions and the multi-phase reactive flow and mass transport. Modeling results show that different rate laws for mineral dissolution and precipitation reactions resulted in different predicted amounts of trapped CO2 by carbonate minerals, with scenarios of the conventional linear rate law for feldspar dissolution having twice as much mineral trapping (21% of the injected CO2) as scenarios with a Burch-type or Alekseyev et al.–type rate law for feldspar dissolution (11%). So far, most reactive transport modeling (RTM) studies for
Directory of Open Access Journals (Sweden)
Algive L.
2012-02-01
Full Text Available Sedimentary reservoir rocks generally have complex and heterogeneous pore networks that are related to the original depositional rock texture and subsequent diagenetic alterations. Such alterations are in part controlled by the original mineralogy and sedimentological facies, the compaction history, the involved fluids (and rock/fluid interactions, the flow history and the related physico-chemical conditions. During the diagenetic evolution (paragenesis, cycles of alternating dissolution (porosity enhancement and precipitation (porosity destruction caused by changes in chemical and thermodynamic conditions may lead to heterogeneous rock structure at both local and reservoir scale. In the absence of cored plugs to measure the petrophysical properties (i.e. porosity, permeability and formation factor and multiphase flow properties (i.e. capillary pressure, relative permeability and resistivity index, a numerical tool that calculates these properties from pore structure data by predicting its evolution during the diagenetic cycle is of great interest for the petroleum industry and reservoir characterization studies. A Pore Network Model (PNM provides opportunities to study transport phenomena in fundamental ways because detailed information is available at the pore scale. It has been used over the last decades to understand basic phenomena such as capillarity, multiphase flow or coupled phenomena. In particular, this modeling approach is appropriate to study the rock/fluid interactions since the mass exchange at surfaces can be modeled explicitly. It can provide quantitative information both on the effective transport property modifications due to the reactions and on the structure evolution resulting from dissolution/precipitation mechanisms. In the present paper, this approach is used to study the effect of the diagenetic cycle on the petrophysical properties of carbonate rocks. It involves three discrete steps. The first step consists of
Modeling Vertical Plasma Flows in Solar Filament Barbs
Litvinenko, Y.
2003-12-01
Speeds of observed flows in quiescent solar filaments are typically much less than the local Alfvén speed. This is why the flows in filament barbs can be modeled by perturbing a local magnetostatic solution describing the balance between the Lorentz force, gravity, and gas pressure in a barb. Similarly, large-scale filament flows can be treated as adiabatically slow deformations of a force-free magnetic equilibrium that describes the global structure of a filament. This approach reconciles current theoretical models with the puzzling observational result that some of the flows appear to be neither aligned with the magnetic field nor controlled by gravity.
Two-phase-flow models and their limitations
International Nuclear Information System (INIS)
Ishii, M.; Kocamustafaogullari, G.
1982-01-01
An accurate prediction of transient two-phase flow is essential to safety analyses of nuclear reactors under accident conditions. The fluid flow and heat transfer encountered are often extremely complex due to the reactor geometry and occurrence of transient two-phase flow. Recently considerable progresses in understanding and predicting these phenomena have been made by a combination of rigorous model development, advanced computational techniques, and a number of small and large scale supporting experiments. In view of their essential importance, the foundation of various two-phase-flow models and their limitations are discussed in this paper
A formal definition of data flow graph models
Kavi, Krishna M.; Buckles, Bill P.; Bhat, U. Narayan
1986-01-01
In this paper, a new model for parallel computations and parallel computer systems that is based on data flow principles is presented. Uninterpreted data flow graphs can be used to model computer systems including data driven and parallel processors. A data flow graph is defined to be a bipartite graph with actors and links as the two vertex classes. Actors can be considered similar to transitions in Petri nets, and links similar to places. The nondeterministic nature of uninterpreted data flow graphs necessitates the derivation of liveness conditions.
Geomorphic dam-break flows. Part I: conceptual model
Leal, JGAB; Ferreira, RML; Cardoso, AH
2010-01-01
Proceedings of the Institution of Civil Engineers - Water Management 163 Issue WM6 This paper presents a one-dimensional conceptual model for simulating geomorphic dam-break flows. The model is based on conservation laws drawn from continuum mixture theory that are integrated over the flow depth,assuming that the f10w is composed of two transport layers. Closure equations were derived from the review and reanalysis of previous studies on granular flow,debris f10w and sheet flow. The sedime...
Combined Active and Reactive Power Control of Wind Farms based on Model Predictive Control
DEFF Research Database (Denmark)
Zhao, Haoran; Wu, Qiuwei; Wang, Jianhui
2017-01-01
This paper proposes a combined wind farm controller based on Model Predictive Control (MPC). Compared with the conventional decoupled active and reactive power control, the proposed control scheme considers the significant impact of active power on voltage variations due to the low X=R ratio...... of wind farm collector systems. The voltage control is improved. Besides, by coordination of active and reactive power, the Var capacity is optimized to prevent potential failures due to Var shortage, especially when the wind farm operates close to its full load. An analytical method is used to calculate...... the sensitivity coefficients to improve the computation efficiency and overcome the convergence problem. Two control modes are designed for both normal and emergency conditions. A wind farm with 20 wind turbines was used to verify the proposed combined control scheme....
Scanning mass spectrometer setup for spatially resolved reactivity studies on model catalysts
Energy Technology Data Exchange (ETDEWEB)
Roos, Matthias; Schirling, Christian; Kielbassa, Stefan; Bansmann, Joachim; Behm, Juergen [Institut fuer Oberflaechenchemie und Katalyse, Universitaet Ulm, D-89069 Ulm (Germany)
2007-07-01
A scanning mass spectrometer with micrometer-scale resolution was developed for investigations on the catalytic activity of microstructured planar model catalysts. Products of local surface reactions can be detected via a fine capillary orifice in a differentially pumped quadrupole mass spectrometer. The position of the sample with respect to the capillary is controlled by three piezo-driven translators. The surface reactivity of a resistive heated sample can be depicted in a spatially resolved topogram, taking into account the influence of the distance between sample and capillary on the magnitude of the QMS signal and the lateral resolution. Photolithographic structured reactive patterns on top of an inactive substrate enable investigations of mesoscopic transport effects such as coupling between catalytically active areas and of (reverse) spillover phenomena on one sample by varying the size and the distances of the active areas.
[Statistical modeling studies of turbulent reacting flows
International Nuclear Information System (INIS)
Dwyer, H.A.
1987-01-01
This paper discusses the study of turbulent wall shear flows, and we feel that this problem is both more difficult and a better challenge for the new methods we are developing. Turbulent wall flows have a wide variety of length and time scales which interact with the transport processes to produce very large fluxes of mass, heat, and momentum. At the present time we have completed the first calculation of a wall diffusion flame, and we have begun a velocity PDF calculation for the flat plate boundary layer. A summary of the various activities is contained in this report
Modeling of under-expanded reactive CO2-into-sodium jets, in the frame of sodium fast reactors
International Nuclear Information System (INIS)
Vivaldi, D.
2013-01-01
, and reaction products concentration profiles. The goal of this PhD work is the development of a numerical model of the two-phase reactive CO 2 -into-sodium jet. As a first step, experimental and bibliographic studies on under-expanded nonreactive gas-into-liquid jets have been investigated, in order to understand what types of two-phase patterns characterise the jet: a first region has been identified, close to gas injection, featuring a mist flow of liquid droplets inside continuous gas, whereas a region further downstream the gas injection is characterised by bubbly flow. The information obtained have been employed for the development of a numerical model of an under-expanded non-reactive gas-into-liquid jet, adopting a 3D unsteady multi-fluid CFD approach. An experimental facility, employing optical probe technique, was developed for the void fraction measurement inside the two-phase jet, in order to perform a comparison with the numerical results. It is found that numerical results well agree with the experimental ones. Once the under-expanded non-reactive jet numerical model was validated, the following step was the development of a numerical model for the chemical reaction between sodium and CO 2 . The approach takes into consideration the specific contact mechanism between the CO 2 and the sodium: one model for the reaction of a liquid sodium droplet with the surrounding CO 2 and one model for the reaction of a CO 2 bubble with the surrounding liquid sodium were separately developed. These models allow to determine the depletion rate of droplets and bubbles, as a function of the main influencing parameters, such as temperature and reaction kinetics parameters. The results obtained through the chemical reaction models have been used for building correlations describing the sodium (or CO 2 ) reaction rate, as a function od the influencing parameters. These correlations have been implemented inside the non-reactive jet model, in order to add the chemical reaction
A computer model for dispersed fluid-solid turbulent flows
International Nuclear Information System (INIS)
Liu, C.H.; Tulig, T.J.
1985-01-01
A computer model is being developed to simulate two-phase turbulent flow phenomena in fluids containing finely dispersed solids. The model is based on a dual-continuum picture of the individual phases and an extension of a two-equation turbulence closure theory. The resulting set of nonlinear partial differential equations are solved using a finite difference procedure with special treatment to promote convergence. The model has been checked against a number of idealized flow problems with known solutions. The authors are currently comparing model predictions with measurements to determine a proper set of turbulence parameters needed for simulating two-phase turbulent flows
Cash flow forecasting model for nuclear power projects
International Nuclear Information System (INIS)
Liu Wei; Guo Jilin
2002-01-01
Cash flow forecasting is very important for owners and contractors of nuclear power projects to arrange the capital and to decrease the capital cost. The factors related to contractor cash flow forecasting are analyzed and a cash flow forecasting model is presented which is suitable for both contractors and owners. The model is efficiently solved using a cost-schedule data integration scheme described. A program is developed based on the model and verified with real project data. The result indicates that the model is efficient and effective
Stochastic description of heterogeneities of permeability within groundwater flow models
International Nuclear Information System (INIS)
Cacas, M.C.; Lachassagne, P.; Ledoux, E.; Marsily, G. de
1991-01-01
In order to model radionuclide migration in the geosphere realistically at the field scale, the hydrogeologist needs to be able to simulate groundwater flow in heterogeneous media. Heterogeneity of the medium can be described using a stochastic approach, that affects the way in which a flow model is formulated. In this paper, we discuss the problems that we have encountered in modelling both continuous and fractured media. The stochastic approach leads to a methodology that enables local measurements of permeability to be integrated into a model which gives a good prediction of groundwater flow on a regional scale. 5 Figs.; 8 Refs
Physical modelling of flow and dispersion over complex terrain
Cermak, J. E.
1984-09-01
Atmospheric motion and dispersion over topography characterized by irregular (or regular) hill-valley or mountain-valley distributions are strongly dependent upon three general sets of variables. These are variables that describe topographic geometry, synoptic-scale winds and surface-air temperature distributions. In addition, pollutant concentration distributions also depend upon location and physical characteristics of the pollutant source. Overall fluid-flow complexity and variability from site to site have stimulated the development and use of physical modelling for determination of flow and dispersion in many wind-engineering applications. Models with length scales as small as 1:12,000 have been placed in boundary-layer wind tunnels to study flows in which forced convection by synoptic winds is of primary significance. Flows driven primarily by forces arising from temperature differences (gravitational or free convection) have been investigated by small-scale physical models placed in an isolated space (gravitational convection chamber). Similarity criteria and facilities for both forced and gravitational-convection flow studies are discussed. Forced-convection modelling is illustrated by application to dispersion of air pollutants by unstable flow near a paper mill in the state of Maryland and by stable flow over Point Arguello, California. Gravitational-convection modelling is demonstrated by a study of drainage flow and pollutant transport from a proposed mining operation in the Rocky Mountains of Colorado. Other studies in which field data are available for comparison with model data are reviewed.
Energy Technology Data Exchange (ETDEWEB)
Tournassat, Christophe, E-mail: c.tournassat@brgm.fr [BRGM, French Geological Survey, Orleans (France); Alt-Epping, Peter [Rock-Water Interaction Group, Institute of Geological Sciences, University of Bern (Switzerland); Gaucher, Eric C. [BRGM, French Geological Survey, Orleans (France); Gimmi, Thomas [Rock-Water Interaction Group, Institute of Geological Sciences, University of Bern (Switzerland)] [Laboratory for Waste Management, Paul Scherrer Institut, Villigen (Switzerland); Leupin, Olivier X. [NAGRA, CH-5430 Wettingen (Switzerland); Wersin, Paul [Gruner Ltd., CH-4020 Basel (Switzerland)
2011-06-15
Highlights: > Reactive transport modelling was used to simulate simultaneously solute transport, thermodynamic reactions, ion exchange and biodegradation during an in-situ experiment in a clay-rock formation. > Opalinus clay formation has a high buffering capacity in terms of chemical perturbations caused by bacterial activity. > Buffering capacity is mainly attributed to the carbonate system and to the reactivity of clay surfaces (cation exchange, pH buffering). - Abstract: Reactive transport modelling was used to simulate solute transport, thermodynamic reactions, ion exchange and biodegradation in the Porewater Chemistry (PC) experiment at the Mont Terri Rock Laboratory. Simulations show that the most important chemical processes controlling the fluid composition within the borehole and the surrounding formation during the experiment are ion exchange, biodegradation and dissolution/precipitation reactions involving pyrite and carbonate minerals. In contrast, thermodynamic mineral dissolution/precipitation reactions involving alumo-silicate minerals have little impact on the fluid composition on the time-scale of the experiment. With the accurate description of the initial chemical condition in the formation in combination with kinetic formulations describing the different stages of bacterial activities, it has been possible to reproduce the evolution of important system parameters, such as the pH, redox potential, total organic C, dissolved inorganic C and SO{sub 4} concentration. Leaching of glycerol from the pH-electrode may be the primary source of organic material that initiated bacterial growth, which caused the chemical perturbation in the borehole. Results from these simulations are consistent with data from the over-coring and demonstrate that the Opalinus Clay has a high buffering capacity in terms of chemical perturbations caused by bacterial activity. This buffering capacity can be attributed to the carbonate system as well as to the reactivity of
Modeling shallow water flows using the discontinuous Galerkin method
Khan, Abdul A
2014-01-01
Replacing the Traditional Physical Model Approach Computational models offer promise in improving the modeling of shallow water flows. As new techniques are considered, the process continues to change and evolve. Modeling Shallow Water Flows Using the Discontinuous Galerkin Method examines a technique that focuses on hyperbolic conservation laws and includes one-dimensional and two-dimensional shallow water flows and pollutant transports. Combines the Advantages of Finite Volume and Finite Element Methods This book explores the discontinuous Galerkin (DG) method, also known as the discontinuous finite element method, in depth. It introduces the DG method and its application to shallow water flows, as well as background information for implementing and applying this method for natural rivers. It considers dam-break problems, shock wave problems, and flows in different regimes (subcritical, supercritical, and transcritical). Readily Adaptable to the Real World While the DG method has been widely used in the fie...
A coupled three dimensional model of vanadium redox flow battery for flow field designs
International Nuclear Information System (INIS)
Yin, Cong; Gao, Yan; Guo, Shaoyun; Tang, Hao
2014-01-01
A 3D (three-dimensional) model of VRB (vanadium redox flow battery) with interdigitated flow channel design is proposed. Two different stack inlet designs, single-inlet and multi-inlet, are structured in the model to study the distributions of fluid pressure, electric potential, current density and overpotential during operation of VRB cell. Electrolyte flow rate and stack channel dimension are proved to be the critical factors affecting flow distribution and cell performance. The model developed in this paper can be employed to optimize both VRB stack design and system operation conditions. Further improvements of the model concerning current density and electrode properties are also suggested in the paper. - Highlights: • A coupled three-dimensional model of vanadium redox flow cell is proposed. • Interdigitated flow channels with two different manifold designs are simulated. • Manifold structure affects uniformity of distribution patterns significantly. • Increased electrolyte flow rate improves cell performance for both designs. • Decreased channel size and enlarged land width enhance cell voltage
Modelling of two-phase flow based on separation of the flow according to velocity
Energy Technology Data Exchange (ETDEWEB)
Narumo, T. [VTT Energy, Espoo (Finland). Nuclear Energy
1997-12-31
The thesis concentrates on the development work of a physical one-dimensional two-fluid model that is based on Separation of the Flow According to Velocity (SFAV). The conventional way to model one-dimensional two-phase flow is to derive conservation equations for mass, momentum and energy over the regions occupied by the phases. In the SFAV approach, the two-phase mixture is divided into two subflows, with as distinct average velocities as possible, and momentum conservation equations are derived over their domains. Mass and energy conservation are treated equally with the conventional model because they are distributed very accurately according to the phases, but momentum fluctuations follow better the flow velocity. Submodels for non-uniform transverse profile of velocity and density, slip between the phases within each subflow and turbulence between the subflows have been derived. The model system is hyperbolic in any sensible flow conditions over the whole range of void fraction. Thus, it can be solved with accurate numerical methods utilizing the characteristics. The characteristics agree well with the used experimental data on two-phase flow wave phenomena Furthermore, the characteristics of the SFAV model are as well in accordance with their physical counterparts as of the best virtual-mass models that are typically optimized for special flow regimes like bubbly flow. The SFAV model has proved to be applicable in describing two-phase flow physically correctly because both the dynamics and steady-state behaviour of the model has been considered and found to agree well with experimental data This makes the SFAV model especially suitable for the calculation of fast transients, taking place in versatile form e.g. in nuclear reactors. 45 refs. The thesis includes also five previous publications by author.
Modelling of two-phase flow based on separation of the flow according to velocity
International Nuclear Information System (INIS)
Narumo, T.
1997-01-01
The thesis concentrates on the development work of a physical one-dimensional two-fluid model that is based on Separation of the Flow According to Velocity (SFAV). The conventional way to model one-dimensional two-phase flow is to derive conservation equations for mass, momentum and energy over the regions occupied by the phases. In the SFAV approach, the two-phase mixture is divided into two subflows, with as distinct average velocities as possible, and momentum conservation equations are derived over their domains. Mass and energy conservation are treated equally with the conventional model because they are distributed very accurately according to the phases, but momentum fluctuations follow better the flow velocity. Submodels for non-uniform transverse profile of velocity and density, slip between the phases within each subflow and turbulence between the subflows have been derived. The model system is hyperbolic in any sensible flow conditions over the whole range of void fraction. Thus, it can be solved with accurate numerical methods utilizing the characteristics. The characteristics agree well with the used experimental data on two-phase flow wave phenomena Furthermore, the characteristics of the SFAV model are as well in accordance with their physical counterparts as of the best virtual-mass models that are typically optimized for special flow regimes like bubbly flow. The SFAV model has proved to be applicable in describing two-phase flow physically correctly because both the dynamics and steady-state behaviour of the model has been considered and found to agree well with experimental data This makes the SFAV model especially suitable for the calculation of fast transients, taking place in versatile form e.g. in nuclear reactors
Modeling and control of compressor flow instabilities
Willems, F.P.T.; Jager, de A.G.
1999-01-01
Compressors are widely used for the pressurization of fluids. Applications involve air compression for use in aircraft engines and pressurization and transportation of gas in the process and chemical industries. The article focuses on two commonly used types of continuous flow compressors: the axial
Migration Flows: Measurement, Analysis and Modeling
Willekens, F.J.; White, Michael J.
2016-01-01