Unconditionally energy stable time stepping scheme for Cahn–Morral equation: Application to multi-component spinodal decomposition and optimal space tiling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tavakoli, Rouhollah, E-mail: rtavakoli@sharif.ir

An unconditionally energy stable time stepping scheme is introduced to solve Cahn–Morral-like equations in the present study. It is constructed based on the combination of David Eyre's time stepping scheme and Schur complement approach. Although the presented method is general and independent of the choice of homogeneous free energy density function term, logarithmic and polynomial energy functions are specifically considered in this paper. The method is applied to study the spinodal decomposition in multi-component systems and optimal space tiling problems. A penalization strategy is developed, in the case of later problem, to avoid trivial solutions. Extensive numerical experiments demonstrate themore » success and performance of the presented method. According to the numerical results, the method is convergent and energy stable, independent of the choice of time stepsize. Its MATLAB implementation is included in the appendix for the numerical evaluation of algorithm and reproduction of the presented results. -- Highlights: •Extension of Eyre's convex–concave splitting scheme to multiphase systems. •Efficient solution of spinodal decomposition in multi-component systems. •Efficient solution of least perimeter periodic space partitioning problem. •Developing a penalization strategy to avoid trivial solutions. •Presentation of MATLAB implementation of the introduced algorithm.« less

Methane Leakage From Hydrocarbon Wellbores into Overlying Groundwater: Numerical Investigation of the Multiphase Flow Processes Governing Migration

NASA Astrophysics Data System (ADS)

Rice, Amy K.; McCray, John E.; Singha, Kamini

2018-04-01

Methane leakage due to compromised hydrocarbon well integrity can lead to impaired groundwater quality. Here we use a three-dimensional, multiphase (vapor and aqueous), multicomponent (methane, water, salt), numerical model (TOUGH2 EOS7C) to investigate hydrogeological conditions that could result in groundwater contamination from natural gas wellbore leakage that migrates upward toward a freshwater aquifer. The conceptual model used for the simulations assumes methane leakage at 20-30 m below groundwater. We perform 180 simulations for a sensitivity analysis, examining (1) multiphase flow parameters related to storage, capillarity, and relative permeability, including porosity (ϕ), initial fluid-phase saturation (SL), and van Genuchten n and α, (2) geostatistical variations in intrinsic permeability (ki), and (3) methane source-zone pressure. Simulated mean ki values are 10-18 and 10-13 m2 with variances of 1 and 5 m4. Simulated source-zone pressures range from just over ambient hydrostatic pressure at the depth of leakage (100 kPa) to the maximum pressure that steel casings are commonly rated to withstand (20,340 kPa). ki, initial SL, ϕ, and van Genuchten's n and α were the most important parameters in determining the volume of methane reaching groundwater during a given time period. Multiphase parameterization of formations underlying freshwater aquifers and overlying hydrocarbon production zones is fundamental to assessing aquifer vulnerability to methane leakage.

Laboratory-scale experiments and numerical modeling of cosolvent flushing of multi-component NAPLs in saturated porous media.

PubMed

Agaoglu, Berken; Scheytt, Traugott; Copty, Nadim K

2012-10-01

This study examines the mechanistic processes governing multiphase flow of a water-cosolvent-NAPL system in saturated porous media. Laboratory batch and column flushing experiments were conducted to determine the equilibrium properties of pure NAPL and synthetically prepared NAPL mixtures as well as NAPL recovery mechanisms for different water-ethanol contents. The effect of contact time was investigated by considering different steady and intermittent flow velocities. A modified version of multiphase flow simulator (UTCHEM) was used to compare the multiphase model simulations with the column experiment results. The effect of employing different grid geometries (1D, 2D, 3D), heterogeneity and different initial NAPL saturation configurations was also examined in the model. It is shown that the change in velocity affects the mass transfer rate between phases as well as the ultimate NAPL recovery percentage. The experiments with low flow rate flushing of pure NAPL and the 3D UTCHEM simulations gave similar effluent concentrations and NAPL cumulative recoveries. Model simulations over-estimated NAPL recovery for high specific discharges and rate-limited mass transfer, suggesting a constant mass transfer coefficient for the entire flushing experiment may not be valid. When multi-component NAPLs are present, the dissolution rate of individual organic compounds (namely, toluene and benzene) into the ethanol-water flushing solution is found not to correlate with their equilibrium solubility values. Copyright © 2012 Elsevier B.V. All rights reserved.

Consistent multiphase-field theory for interface driven multidomain dynamics

NASA Astrophysics Data System (ADS)

Tóth, Gyula I.; Pusztai, Tamás; Gránásy, László

2015-11-01

We present a multiphase-field theory for describing pattern formation in multidomain and/or multicomponent systems. The construction of the free energy functional and the dynamic equations is based on criteria that ensure mathematical and physical consistency. We first analyze previous multiphase-field theories and identify their advantageous and disadvantageous features. On the basis of this analysis, we introduce a way of constructing the free energy surface and derive a generalized multiphase description for arbitrary number of phases (or domains). The presented approach retains the variational formalism, reduces (or extends) naturally to lower (or higher) number of fields on the level of both the free energy functional and the dynamic equations, enables the use of arbitrary pairwise equilibrium interfacial properties, penalizes multiple junctions increasingly with the number of phases, ensures non-negative entropy production and the convergence of the dynamic solutions to the equilibrium solutions, and avoids the appearance of spurious phases on binary interfaces. The approach is tested for multicomponent phase separation and grain coarsening.

Multiphase, multicomponent parameter estimation for liquid and vapor fluxes in deep arid systems using hydrologic data and natural environmental tracers

USGS Publications Warehouse

Kwicklis, Edward M.; Wolfsberg, Andrew V.; Stauffer, Philip H.; Walvoord, Michelle Ann; Sully, Michael J.

2006-01-01

Multiphase, multicomponent numerical models of long-term unsaturated-zone liquid and vapor movement were created for a thick alluvial basin at the Nevada Test Site to predict present-day liquid and vapor fluxes. The numerical models are based on recently developed conceptual models of unsaturated-zone moisture movement in thick alluvium that explain present-day water potential and tracer profiles in terms of major climate and vegetation transitions that have occurred during the past 10 000 yr or more. The numerical models were calibrated using borehole hydrologic and environmental tracer data available from a low-level radioactive waste management site located in a former nuclear weapons testing area. The environmental tracer data used in the model calibration includes tracers that migrate in both the liquid and vapor phases (??D, ??18O) and tracers that migrate solely as dissolved solutes (Cl), thus enabling the estimation of some gas-phase as well as liquid-phase transport parameters. Parameter uncertainties and correlations identified during model calibration were used to generate parameter combinations for a set of Monte Carlo simulations to more fully characterize the uncertainty in liquid and vapor fluxes. The calculated background liquid and vapor fluxes decrease as the estimated time since the transition to the present-day arid climate increases. However, on the whole, the estimated fluxes display relatively little variability because correlations among parameters tend to create parameter sets for which changes in some parameters offset the effects of others in the set. Independent estimates on the timing since the climate transition established from packrat midden data were essential for constraining the model calibration results. The study demonstrates the utility of environmental tracer data in developing numerical models of liquid- and gas-phase moisture movement and the importance of considering parameter correlations when using Monte Carlo analysis to characterize the uncertainty in moisture fluxes. ?? Soil Science Society of America.

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

DOE PAGES

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-02-06

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Viscous fingering and channeling in chemical enhanced oil recovery

NASA Astrophysics Data System (ADS)

Daripa, Prabir; Dutta, Sourav

2017-11-01

We have developed a hybrid numerical method based on discontinuous finite element method and modified method of characteristics to compute the multiphase multicomponent fluid flow in porous media in the context of chemical enhanced oil recovery. We use this method to study the effect of various chemical components on the viscous fingering and channeling in rectilinear and radial flow configurations. We will also discuss about the efficiency of various flooding schemes based on these understandings. Time permitting, we will discuss about the effect of variable injection rates in these practical setting. U.S. National Science Foundation Grant DMS-1522782.

TOUGH+ v1.5 Core Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moridis, George J.

TOUGH+ v1.5 is a numerical code for the simulation of multi-phase, multi-component flow and transport of mass and heat through porous and fractured media, and represents the third update of the code since its first release [Moridis et al., 2008]. TOUGH+ is a successor to the TOUGH2 [Pruess et al., 1991; 2012] family of codes for multi-component, multiphase fluid and heat flow developed at the Lawrence Berkeley National Laboratory. It is written in standard FORTRAN 95/2003, and can be run on any computational platform (workstations, PC, Macintosh). TOUGH+ v1.5 employs dynamic memory allocation, thus minimizing storage requirements. It has amore » completely modular structure, follows the tenets of Object-Oriented Programming (OOP), and involves the advanced features of FORTRAN 95/2003, i.e., modules, derived data types, the use of pointers, lists and trees, data encapsulation, defined operators and assignments, operator extension and overloading, use of generic procedures, and maximum use of the powerful intrinsic vector and matrix processing operations. TOUGH+ v1.5 is the core code for its family of applications, i.e., the part of the code that is common to all its applications. It provides a description of the underlying physics and thermodynamics of non-isothermal flow, of the mathematical and numerical approaches, as well as a detailed explanation of the general (common to all applications) input requirements, options, capabilities and output specifications. The core code cannot run by itself: it needs to be coupled with the code for the specific TOUGH+ application option that describes a particular type of problem. The additional input requirements specific to a particular TOUGH+ application options and related illustrative examples can be found in the corresponding User's Manual.« less

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions

NASA Astrophysics Data System (ADS)

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-04-01

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switching technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. We also show that the strategy is efficient and scales optimally with problem size.

Recent developments in biocatalysis in multiphasic ionic liquid reaction systems.

PubMed

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

2018-06-01

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

Modeling and simulation of multiphase multicomponent multiphysics porous media flows in the context of chemical enhanced oil recovery

NASA Astrophysics Data System (ADS)

Dutta, Sourav; Daripa, Prabir; Fluids Team

2015-11-01

One of the most important methods of chemical enhanced oil recovery (EOR) involves the use of complex flooding schemes comprising of various layers of fluids mixed with suitable amounts of polymer or surfactant or both. The fluid flow is characterized by the spontaneous formation of complex viscous fingering patterns which is considered detrimental to oil recovery. Here we numerically study the physics of such EOR processes using a modern, hybrid method based on a combination of a discontinuous, multiscale finite element formulation and the method of characteristics. We investigate the effect of different types of heterogeneity on the fingering mechanism of these complex multiphase flows and determine the impact on oil recovery. We also study the effect of surfactants on the dynamics of the flow via reduction of capillary forces and increase in relative permeabilities. Supported by the grant NPRP 08-777-1-141 from the Qatar National Research Fund (a member of The Qatar Foundation).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Uchibori, Akihiro; Kurihara, Akikazu; Ohshima, Hiroyuki

A multiphysics analysis system for sodium-water reaction phenomena in a steam generator of sodium-cooled fast reactors was newly developed. The analysis system consists of the mechanistic numerical analysis codes, SERAPHIM, TACT, and RELAP5. The SERAPHIM code calculates the multicomponent multiphase flow and sodium-water chemical reaction caused by discharging of pressurized water vapor. Applicability of the SERAPHIM code was confirmed through the analyses of the experiment on water vapor discharging in liquid sodium. The TACT code was developed to calculate heat transfer from the reacting jet to the adjacent tube and to predict the tube failure occurrence. The numerical models integratedmore » into the TACT code were verified through some related experiments. The RELAP5 code evaluates thermal hydraulic behavior of water inside the tube. The original heat transfer correlations were corrected for the tube rapidly heated by the reacting jet. The developed system enables evaluation of the wastage environment and the possibility of the failure propagation.« less

Coupled Thermo-Hydro-Mechanical Numerical Framework for Simulating Unconventional Formations

NASA Astrophysics Data System (ADS)

Garipov, T. T.; White, J. A.; Lapene, A.; Tchelepi, H.

2016-12-01

Unconventional deposits are found in all world oil provinces. Modeling these systems is challenging, however, due to complex thermo-hydro-mechanical processes that govern their behavior. As a motivating example, we consider in situ thermal processing of oil shale deposits. When oil shale is heated to sufficient temperatures, kerogen can be converted to oil and gas products over a relatively short timespan. This phase change dramatically impact both the mechanical and hydrologic properties of the rock, leading to strongly coupled THMC interactions. Here, we present a numerical framework for simulating tightly-coupled chemistry, geomechanics, and multiphase flow within a reservoir simulator (the AD-GPRS General Purpose Research Simulator). We model changes in constitutive behavior of the rock using a thermoplasticity model that accounts for microstructural evolution. The multi-component, multiphase flow and transport processes of both mass and heat are modeled at the macroscopic (e.g., Darcy) scale. The phase compositions and properties are described by a cubic equation of state; Arrhenius-type chemical reactions are used to represent kerogen conversion. The system of partial differential equations is discretized using a combination of finite-volumes and finite-elements, respectively, for the flow and mechanics problems. Fully implicit and sequentially implicit method are used to solve resulting nonlinear problem. The proposed framework is verified against available analytical and numerical benchmark cases. We demonstrate the efficiency, performance, and capabilities of the proposed simulation framework by analyzing near well deformation in an oil shale formation.

HYDROCARBON SPILL EXPOSURE ASSESSMENT MODELING

EPA Science Inventory

Hydrocarbon spills impact drinking water supplies at down gradient locations. onventional finite difference and finite element models of multiphase, multicomponent flow have extreme requirements for both computer time and site data. ite data and the intent of the modeling often d...

EXPOSURE ASSESSMENT MODELING FOR HYDROCARBON SPILLS INTO THE SUBSURFACE

EPA Science Inventory

Hydrocarbons which enter the subsurface through spills or leaks may create serious, long-lived ground-water contamination problems. onventional finite difference and finite element models of multiphase, multicomponent flow often have extreme requirements for both computer time an...

Groundwater-Quality Impacts from Natural-Gas Wellbore Leakage: Numerical Sensitivity Analysis of Hydrogeologic, Geostatistical, and Source-Term Parameterization at Varying Depths

NASA Astrophysics Data System (ADS)

Rice, A. K.; McCray, J. E.; Singha, K.

2016-12-01

The development of directional drilling and stimulation of reservoirs by hydraulic fracturing has transformed the energy landscape in the U.S. by making recovery of hydrocarbons from shale formations not only possible but economically viable. Activities associated with hydraulic fracturing present a set of water-quality challenges, including the potential for impaired groundwater quality. In this project, we use a three-dimensional, multiphase, multicomponent numerical model to investigate hydrogeologic conditions that could lead to groundwater contamination from natural gas wellbore leakage. This work explores the fate of methane that enters a well annulus, possibly from an intermediate formation or from the production zone via a flawed cement seal, and leaves the annulus at one of two depths: at the elevation of groundwater or below a freshwater aquifer. The latter leakage scenario is largely ignored in the current scientific literature, where focus has been on leakage directly into freshwater aquifers, despite modern regulations requiring steel casings and cement sheaths at these depths. We perform a three-stage sensitivity analysis, examining (1) hydrogeologic parameters of media surrounding a methane leakage source zone, (2) geostatistical variations in intrinsic permeability, and (3) methane source zone pressurization. Results indicate that in all cases methane reaches groundwater within the first year of leakage. To our knowledge, this is the first study to consider natural gas wellbore leakage in the context of multiphase flow through heterogeneous permeable media; advantages of multiphase modeling include more realistic analysis of methane vapor-phase relative permeability as compared to single-phase models. These results can be used to inform assessment of aquifer vulnerability to hydrocarbon wellbore leakage at varying depths.

Application of a new multiphase multicomponent volcanic conduit model with magma degassing and crystallization to Stromboli volcano.

NASA Astrophysics Data System (ADS)

La Spina, Giuseppe; Burton, Mike; de'Michieli Vitturi, Mattia

2014-05-01

Volcanoes exhibit a wide range of eruption styles, from relatively slow effusive eruptions, generating lava flows and lava domes, to explosive eruptions, in which very large volumes of fragmented magma and volcanic gas are ejected high into the atmosphere. During an eruption, much information regarding the magma ascent dynamics can be gathered: melt and exsolved gas composition, crystal content, mass flow rate and ballistic velocities, to name just a few. Due to the lack of direct observations of the conduit itself, mathematical models for magma ascent provide invaluable tools for a better comprehension of the system. The complexity of the multiphase multicomponent gas-magma-solid system is reflected in the corresponding mathematical model; a set of non-linear hyperbolic partial differential and constitutive equations, which describe the physical system, has to be formulated and solved. The standard approach to derive governing equations for two-phase flow is based on averaging procedures, which leads to a system of governing equations in the form of mass, momentum and energy balance laws for each phase coupled with algebraic and differential source terms which represent phase interactions. For this work, we used the model presented by de' Michieli Vitturi et al. (EGU General Assembly Conference Abstracts, 2013), where a different approach based on the theory of thermodynamically compatible systems has been adopted to write the governing multiphase equations for two-phase compressible flow (with two velocities and two pressures) in the form of a conservative hyperbolic system of partial differential equations, coupled with non-differential source terms. Here, in order to better describe the multicomponent nature of the system, we extended the model adding several transport equations to the system for different crystal components and different gas species, and implementing appropriate equations of state. The constitutive equations of the model are chosen to reproduce both effusive and explosive eruptive activities at Stromboli volcano. Three different crystal components (olivine, pyroxene and feldspar) and two different gas species (water and carbon dioxide) are taken into account. The equilibrium profiles of crystallization as function of pressure, temperature and water content are modeled using the numerical codes AlphaMELTS and DAKOTA. The equilibrium of dissolved gas content, instead, is obtained using a non-linear fitting of data computed using VolatileCALC. With these data, we simulate numerically the lava effusion that occurred at Stromboli between 27 February and 2 April 2007, and find good agreement with the observed data (vesicularity, exsolved gas composition, crystal content and mass flow rate) at the vent. We find that the model is highly sensitive to input magma temperature, going from effusive to explosive eruption with temperature changes by just 20 °C. We thoroughly investigated through a sensitivity analysis the control of the temperature of magma chamber and of the radius of the conduit on the mass flow rate, obtaining also a set of admissible temperatures and conduit radii that produce results in agreement with the real observations.

Field-scale multi-phase LNAPL remediation: Validating a new computational framework against sequential field pilot trials.

PubMed

Sookhak Lari, Kaveh; Johnston, Colin D; Rayner, John L; Davis, Greg B

2018-03-05

Remediation of subsurface systems, including groundwater, soil and soil gas, contaminated with light non-aqueous phase liquids (LNAPLs) is challenging. Field-scale pilot trials of multi-phase remediation were undertaken at a site to determine the effectiveness of recovery options. Sequential LNAPL skimming and vacuum-enhanced skimming, with and without water table drawdown were trialled over 78days; in total extracting over 5m 3 of LNAPL. For the first time, a multi-component simulation framework (including the multi-phase multi-component code TMVOC-MP and processing codes) was developed and applied to simulate the broad range of multi-phase remediation and recovery methods used in the field trials. This framework was validated against the sequential pilot trials by comparing predicted and measured LNAPL mass removal rates and compositional changes. The framework was tested on both a Cray supercomputer and a cluster. Simulations mimicked trends in LNAPL recovery rates (from 0.14 to 3mL/s) across all remediation techniques each operating over periods of 4-14days over the 78day trial. The code also approximated order of magnitude compositional changes of hazardous chemical concentrations in extracted gas during vacuum-enhanced recovery. The verified framework enables longer term prediction of the effectiveness of remediation approaches allowing better determination of remediation endpoints and long-term risks. Copyright © 2017 Commonwealth Scientific and Industrial Research Organisation. Published by Elsevier B.V. All rights reserved.

Finite-deformation phase-field chemomechanics for multiphase, multicomponent solids

NASA Astrophysics Data System (ADS)

Svendsen, Bob; Shanthraj, Pratheek; Raabe, Dierk

2018-03-01

The purpose of this work is the development of a framework for the formulation of geometrically non-linear inelastic chemomechanical models for a mixture of multiple chemical components diffusing among multiple transforming solid phases. The focus here is on general model formulation. No specific model or application is pursued in this work. To this end, basic balance and constitutive relations from non-equilibrium thermodynamics and continuum mixture theory are combined with a phase-field-based description of multicomponent solid phases and their interfaces. Solid phase modeling is based in particular on a chemomechanical free energy and stress relaxation via the evolution of phase-specific concentration fields, order-parameter fields (e.g., related to chemical ordering, structural ordering, or defects), and local internal variables. At the mixture level, differences or contrasts in phase composition and phase local deformation in phase interface regions are treated as mixture internal variables. In this context, various phase interface models are considered. In the equilibrium limit, phase contrasts in composition and local deformation in the phase interface region are determined via bulk energy minimization. On the chemical side, the equilibrium limit of the current model formulation reduces to a multicomponent, multiphase, generalization of existing two-phase binary alloy interface equilibrium conditions (e.g., KKS). On the mechanical side, the equilibrium limit of one interface model considered represents a multiphase generalization of Reuss-Sachs conditions from mechanical homogenization theory. Analogously, other interface models considered represent generalizations of interface equilibrium conditions consistent with laminate and sharp-interface theory. In the last part of the work, selected existing models are formulated within the current framework as special cases and discussed in detail.

Transition point prediction in a multicomponent lattice Boltzmann model: Forcing scheme dependencies

NASA Astrophysics Data System (ADS)

Küllmer, Knut; Krämer, Andreas; Joppich, Wolfgang; Reith, Dirk; Foysi, Holger

2018-02-01

Pseudopotential-based lattice Boltzmann models are widely used for numerical simulations of multiphase flows. In the special case of multicomponent systems, the overall dynamics are characterized by the conservation equations for mass and momentum as well as an additional advection diffusion equation for each component. In the present study, we investigate how the latter is affected by the forcing scheme, i.e., by the way the underlying interparticle forces are incorporated into the lattice Boltzmann equation. By comparing two model formulations for pure multicomponent systems, namely the standard model [X. Shan and G. D. Doolen, J. Stat. Phys. 81, 379 (1995), 10.1007/BF02179985] and the explicit forcing model [M. L. Porter et al., Phys. Rev. E 86, 036701 (2012), 10.1103/PhysRevE.86.036701], we reveal that the diffusion characteristics drastically change. We derive a generalized, potential function-dependent expression for the transition point from the miscible to the immiscible regime and demonstrate that it is shifted between the models. The theoretical predictions for both the transition point and the mutual diffusion coefficient are validated in simulations of static droplets and decaying sinusoidal concentration waves, respectively. To show the universality of our analysis, two common and one new potential function are investigated. As the shift in the diffusion characteristics directly affects the interfacial properties, we additionally show that phenomena related to the interfacial tension such as the modeling of contact angles are influenced as well.

The fascinating and complex dynamics of geyser eruptions

USGS Publications Warehouse

Hurwitz, Shaul; Manga, Michael

2017-01-01

Geysers episodically erupt liquid and vapor. Despite two centuries of scientific study, basic questions persist—why do geysers exist? What determines eruption intervals, durations, and heights? What initiates eruptions? Through monitoring eruption intervals, analyzing geophysical data, taking measurements within geyser conduits, performing numerical simulations, and constructing laboratory models, some of these questions have been addressed. Geysers are uncommon because they require a combination of abundant water recharge, magmatism, and rhyolite flows to supply heat and silica, and large fractures and cavities overlain by low-permeability materials to trap rising multiphase and multicomponent fluids. Eruptions are driven by the conversion of thermal to kinetic energy during decompression. Larger and deeper cavities permit larger eruptions and promote regularity by isolating water from weather variations. The ejection velocity may be limited by the speed of sound of the liquid + vapor mixture.

Multiphase modelling of mud volcanoes

NASA Astrophysics Data System (ADS)

Colucci, Simone; de'Michieli Vitturi, Mattia; Clarke, Amanda B.

2015-04-01

Mud volcanism is a worldwide phenomenon, classically considered as the surface expression of piercement structures rooted in deep-seated over-pressured sediments in compressional tectonic settings. The release of fluids at mud volcanoes during repeated explosive episodes has been documented at numerous sites and the outflows resemble the eruption of basaltic magma. As magma, the material erupted from a mud volcano becomes more fluid and degasses while rising and decompressing. The release of those gases from mud volcanism is estimated to be a significant contributor both to fluid flux from the lithosphere to the hydrosphere, and to the atmospheric budget of some greenhouse gases, particularly methane. For these reasons, we simulated the fluid dynamics of mud volcanoes using a newly-developed compressible multiphase and multidimensional transient solver in the OpenFOAM framework, taking into account the multicomponent nature (CH4, CO2, H2O) of the fluid mixture, the gas exsolution during the ascent and the associated changes in the constitutive properties of the phases. The numerical model has been tested with conditions representative of the LUSI, a mud volcano that has been erupting since May 2006 in the densely populated Sidoarjo regency (East Java, Indonesia), forcing the evacuation of 40,000 people and destroying industry, farmland, and over 10,000 homes. The activity of LUSI mud volcano has been well documented (Vanderkluysen et al., 2014) and here we present a comparison of observed gas fluxes and mud extrusion rates with the outcomes of numerical simulations. Vanderkluysen, L.; Burton, M. R.; Clarke, A. B.; Hartnett, H. E. & Smekens, J.-F. Composition and flux of explosive gas release at LUSI mud volcano (East Java, Indonesia) Geochem. Geophys. Geosyst., Wiley-Blackwell, 2014, 15, 2932-2946

Morphology-property relationships in wood-fibre-based polyurethanes

Treesearch

Timothy G. Rials; Michael P. Wolcott

1998-01-01

Many of the advances in material performance over the last decade can be attributed to developments in multicomponent polymer systems and, specifically, to multiphase materials such as incompatible polymer blends and fibre-reinforced composites. In these types of material, performance properties are not often dominated by the interphase that defines the transition...

Coupling DAEM and CFD for simulating biomass fast pyrolysis in fluidized beds

DOE PAGES

Xiong, Qingang; Zhang, Jingchao; Wiggins, Gavin; ...

2015-12-03

We report results from computational simulations of an experimental, lab-scale bubbling bed biomass pyrolysis reactor that include a distributed activation energy model (DAEM) for the kinetics. In this study, we utilized multiphase computational fluid dynamics (CFD) to account for the turbulent hydrodynamics, and this was combined with the DAEM kinetics in a multi-component, multi-step reaction network. Our results indicate that it is possible to numerically integrate the coupled CFD–DAEM system without significantly increasing computational overhead. It is also clear, however, that reactor operating conditions, reaction kinetics, and multiphase flow dynamics all have major impacts on the pyrolysis products exiting themore » reactor. We find that, with the same pre-exponential factors and mean activation energies, inclusion of distributed activation energies in the kinetics can shift the predicted average value of the exit vapor-phase tar flux and its statistical distribution, compared to single-valued activation-energy kinetics. Perhaps the most interesting observed trend is that increasing the diversity of the DAEM activation energies appears to increase the mean tar yield, all else being equal. As a result, these findings imply that accurate resolution of the reaction activation energy distributions will be important for optimizing biomass pyrolysis processes.« less

Methods for compressible multiphase flows and their applications

NASA Astrophysics Data System (ADS)

Kim, H.; Choe, Y.; Kim, H.; Min, D.; Kim, C.

2018-06-01

This paper presents an efficient and robust numerical framework to deal with multiphase real-fluid flows and their broad spectrum of engineering applications. A homogeneous mixture model incorporated with a real-fluid equation of state and a phase change model is considered to calculate complex multiphase problems. As robust and accurate numerical methods to handle multiphase shocks and phase interfaces over a wide range of flow speeds, the AUSMPW+_N and RoeM_N schemes with a system preconditioning method are presented. These methods are assessed by extensive validation problems with various types of equation of state and phase change models. Representative realistic multiphase phenomena, including the flow inside a thermal vapor compressor, pressurization in a cryogenic tank, and unsteady cavitating flow around a wedge, are then investigated as application problems. With appropriate physical modeling followed by robust and accurate numerical treatments, compressible multiphase flow physics such as phase changes, shock discontinuities, and their interactions are well captured, confirming the suitability of the proposed numerical framework to wide engineering applications.

Theoretical Assessment on the Phase Transformation Kinetic Pathways of Multi-component Ti Alloys: Application to Ti-6Al- 4V

DOE PAGES

Ji, Yanzhou; Heo, Tae Wook; Zhang, Fan; ...

2015-12-21

Here we present our theoretical assessment of the kinetic pathways during phase transformations of multi-component Ti alloys. Employing the graphical thermodynamic approach and an integrated free energy function based on the realistic thermodynamic database and assuming that a displacive structural transformation occurs much faster than long-range diffusional processes, we analyze the phase stabilities of Ti-6Al -4V (Ti-6wt.%Al -4wt.%V). Our systematic analyses predict a variety of possible kinetic pathways for β to (α + β) transformations leading to different types of microstructures under various heat treatment conditions. In addition, the possibility of unconventional kinetic pathways is discussed. Lastly, we also brieflymore » discuss the application of our approach to general multicomponent/multiphase alloy systems.« less

Accelerated lattice Boltzmann model for colloidal suspensions rheology and interface morphology

NASA Astrophysics Data System (ADS)

Farhat, Hassan

Colloids are ubiquitous in the food, medical, cosmetic, polymer, water purification and pharmaceutical industries. Colloids thermal, mechanical and storage properties are highly dependent on their interface morphology and their rheological behavior. Numerical methods provide a cheap and reliable virtual laboratory for the study of colloids. However efficiency is a major concern to address when using numerical methods for practical applications. This work introduces the main building-blocks for an improved lattice Boltzmann-based numerical tool designed for the study of colloidal rheology and interface morphology. The efficiency of the proposed model is enhanced by using the recently developed and validated migrating multi-block algorithms for the lattice Boltzmann method (LBM). The migrating multi-block was used to simulate single component, multi-component, multiphase and single component multiphase flows. Results were validated by experimental, numerical and analytical solutions. The contamination of the fluid-fluid interface influences the colloids morphology. This issue was addressed by the introduction of the hybrid LBM for surfactant-covered droplets. The module was used for the simulation of surfactant-covered droplet deformation under shear and uniaxial extensional flows respectively and under buoyancy. Validation with experimental and theoretical results was provided. Colloids are non-Newtonian fluids which exhibit rich rheological behavior. The suppression of coalescence module is the part of the proposed model which facilitates the study of colloids rheology. The model results for the relative viscosity were in agreement with some theoretical results. Biological suspensions such as blood are macro-colloids by nature. The study of the blood flow in the microvasculature was heuristically approached by assuming the red blood cells as surfactant covered droplets. The effects of interfacial tension on the flow velocity and the droplet exclusion from the walls in parabolic flows were in qualitative agreement with some experimental and numerical results. The Fahraeus and the Fahraeus-Lindqvist effects were reproduced. The proposed LBM model provides a flexible numerical platform consisting of various modules which could be used separately or in combination for the study of a variety of colloids and biological suspensions flow deformation problems.

Validation of a numerical method for interface-resolving simulation of multicomponent gas-liquid mass transfer and evaluation of multicomponent diffusion models

NASA Astrophysics Data System (ADS)

Woo, Mino; Wörner, Martin; Tischer, Steffen; Deutschmann, Olaf

2018-03-01

The multicomponent model and the effective diffusivity model are well established diffusion models for numerical simulation of single-phase flows consisting of several components but are seldom used for two-phase flows so far. In this paper, a specific numerical model for interfacial mass transfer by means of a continuous single-field concentration formulation is combined with the multicomponent model and effective diffusivity model and is validated for multicomponent mass transfer. For this purpose, several test cases for one-dimensional physical or reactive mass transfer of ternary mixtures are considered. The numerical results are compared with analytical or numerical solutions of the Maxell-Stefan equations and/or experimental data. The composition-dependent elements of the diffusivity matrix of the multicomponent and effective diffusivity model are found to substantially differ for non-dilute conditions. The species mole fraction or concentration profiles computed with both diffusion models are, however, for all test cases very similar and in good agreement with the analytical/numerical solutions or measurements. For practical computations, the effective diffusivity model is recommended due to its simplicity and lower computational costs.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ji, Yanzhou; Heo, Tae Wook; Zhang, Fan

Here we present our theoretical assessment of the kinetic pathways during phase transformations of multi-component Ti alloys. Employing the graphical thermodynamic approach and an integrated free energy function based on the realistic thermodynamic database and assuming that a displacive structural transformation occurs much faster than long-range diffusional processes, we analyze the phase stabilities of Ti-6Al -4V (Ti-6wt.%Al -4wt.%V). Our systematic analyses predict a variety of possible kinetic pathways for β to (α + β) transformations leading to different types of microstructures under various heat treatment conditions. In addition, the possibility of unconventional kinetic pathways is discussed. Lastly, we also brieflymore » discuss the application of our approach to general multicomponent/multiphase alloy systems.« less

Noble gas and hydrocarbon tracers in multiphase unconventional hydrocarbon systems: Toward integrated advanced reservoir simulators

NASA Astrophysics Data System (ADS)

Darrah, T.; Moortgat, J.; Poreda, R. J.; Muehlenbachs, K.; Whyte, C. J.

2015-12-01

Although hydrocarbon production from unconventional energy resources has increased dramatically in the last decade, total unconventional oil and gas recovery from black shales is still less than 25% and 9% of the totals in place, respectively. Further, the majority of increased hydrocarbon production results from increasing the lengths of laterals, the number of hydraulic fracturing stages, and the volume of consumptive water usage. These strategies all reduce the economic efficiency of hydrocarbon extraction. The poor recovery statistics result from an insufficient understanding of some of the key physical processes in complex, organic-rich, low porosity formations (e.g., phase behavior, fluid-rock interactions, and flow mechanisms at nano-scale confinement and the role of natural fractures and faults as conduits for flow). Noble gases and other hydrocarbon tracers are capably of recording subsurface fluid-rock interactions on a variety of geological scales (micro-, meso-, to macro-scale) and provide analogs for the movement of hydrocarbons in the subsurface. As such geochemical data enrich the input for the numerical modeling of multi-phase (e.g., oil, gas, and brine) fluid flow in highly heterogeneous, low permeability formations Herein we will present a combination of noble gas (He, Ne, Ar, Kr, and Xe abundances and isotope ratios) and molecular and isotopic hydrocarbon data from a geographically and geologically diverse set of unconventional hydrocarbon reservoirs in North America. Specifically, we will include data from the Marcellus, Utica, Barnett, Eagle Ford, formations and the Illinois basin. Our presentation will include geochemical and geological interpretation and our perspective on the first steps toward building an advanced reservoir simulator for tracer transport in multicomponent multiphase compositional flow (presented separately, in Moortgat et al., 2015).

Precipitation behavior of AlxCoCrFeNi high entropy alloys under ion irradiation

NASA Astrophysics Data System (ADS)

Yang, Tengfei; Xia, Songqin; Liu, Shi; Wang, Chenxu; Liu, Shaoshuai; Fang, Yuan; Zhang, Yong; Xue, Jianming; Yan, Sha; Wang, Yugang

2016-08-01

Materials performance is central to the satisfactory operation of current and future nuclear energy systems due to the severe irradiation environment in reactors. Searching for structural materials with excellent irradiation tolerance is crucial for developing the next generation nuclear reactors. Here, we report the irradiation responses of a novel multi-component alloy system, high entropy alloy (HEA) AlxCoCrFeNi (x = 0.1, 0.75 and 1.5), focusing on their precipitation behavior. It is found that the single phase system, Al0.1CoCrFeNi, exhibits a great phase stability against ion irradiation. No precipitate is observed even at the highest fluence. In contrast, numerous coherent precipitates are present in both multi-phase HEAs. Based on the irradiation-induced/enhanced precipitation theory, the excellent structural stability against precipitation of Al0.1CoCrFeNi is attributed to the high configurational entropy and low atomic diffusion, which reduces the thermodynamic driving force and kinetically restrains the formation of precipitate, respectively. For the multiphase HEAs, the phase separations and formation of ordered phases reduce the system configurational entropy, resulting in the similar precipitation behavior with corresponding binary or ternary conventional alloys. This study demonstrates the structural stability of single-phase HEAs under irradiation and provides important implications for searching for HEAs with higher irradiation tolerance.

Phase-Field Modeling of Sigma-Phase Precipitation in 25Cr7Ni4Mo Duplex Stainless Steel

NASA Astrophysics Data System (ADS)

Malik, Amer; Odqvist, Joakim; Höglund, Lars; Hertzman, Staffan; Ågren, John

2017-10-01

Phase-field modeling is used to simulate the formation of sigma phase in a model alloy mimicking a commercial super duplex stainless steel (SDSS) alloy, in order to study precipitation and growth of sigma phase under linear continuous cooling. The so-called Warren-Boettinger-McFadden (WBM) model is used to build the basis of the multiphase and multicomponent phase-field model. The thermodynamic inconsistency at the multiple junctions associated with the multiphase formulation of the WBM model is resolved by means of a numerical Cut-off algorithm. To make realistic simulations, all the kinetic and the thermodynamic quantities are derived from the CALPHAD databases at each numerical time step, using Thermo-Calc and TQ-Interface. The credibility of the phase-field model is verified by comparing the results from the phase-field simulations with the corresponding DICTRA simulations and also with the empirical data. 2D phase-field simulations are performed for three different cooling rates in two different initial microstructures. A simple model for the nucleation of sigma phase is also implemented in the first case. Simulation results show that the precipitation of sigma phase is characterized by the accumulation of Cr and Mo at the austenite-ferrite and the ferrite-ferrite boundaries. Moreover, it is observed that a slow cooling rate promotes the growth of sigma phase, while a higher cooling rate restricts it, eventually preserving the duplex structure in the SDSS alloy. Results from the phase-field simulations are also compared quantitatively with the experiments, performed on a commercial 2507 SDSS alloy. It is found that overall, the predicted morphological features of the transformation and the composition profiles show good conformity with the empirical data.

Numerical investigation of complex flooding schemes for surfactant polymer based enhanced oil recovery

NASA Astrophysics Data System (ADS)

Dutta, Sourav; Daripa, Prabir

2015-11-01

Surfactant-polymer flooding is a widely used method of chemical enhanced oil recovery (EOR) in which an array of complex fluids containing suitable and varying amounts of surfactant or polymer or both mixed with water is injected into the reservoir. This is an example of multiphase, multicomponent and multiphysics porous media flow which is characterized by the spontaneous formation of complex viscous fingering patterns and is modeled by a system of strongly coupled nonlinear partial differential equations with appropriate initial and boundary conditions. Here we propose and discuss a modern, hybrid method based on a combination of a discontinuous, multiscale finite element formulation and the method of characteristics to accurately solve the system. Several types of flooding schemes and rheological properties of the injected fluids are used to numerically study the effectiveness of various injection policies in minimizing the viscous fingering and maximizing oil recovery. Numerical simulations are also performed to investigate the effect of various other physical and model parameters such as heterogeneity, relative permeability and residual saturation on the quantities of interest like cumulative oil recovery, sweep efficiency, fingering intensity to name a few. Supported by the grant NPRP 08-777-1-141 from the Qatar National Research Fund (a member of The Qatar Foundation).

Finite Element Methods and Multiphase Continuum Theory for Modeling 3D Air-Water-Sediment Interactions

NASA Astrophysics Data System (ADS)

Kees, C. E.; Miller, C. T.; Dimakopoulos, A.; Farthing, M.

2016-12-01

The last decade has seen an expansion in the development and application of 3D free surface flow models in the context of environmental simulation. These models are based primarily on the combination of effective algorithms, namely level set and volume-of-fluid methods, with high-performance, parallel computing. These models are still computationally expensive and suitable primarily when high-fidelity modeling near structures is required. While most research on algorithms and implementations has been conducted in the context of finite volume methods, recent work has extended a class of level set schemes to finite element methods on unstructured methods. This work considers models of three-phase flow in domains containing air, water, and granular phases. These multi-phase continuum mechanical formulations show great promise for applications such as analysis of coastal and riverine structures. This work will consider formulations proposed in the literature over the last decade as well as new formulations derived using the thermodynamically constrained averaging theory, an approach to deriving and closing macroscale continuum models for multi-phase and multi-component processes. The target applications require the ability to simulate wave breaking and structure over-topping, particularly fully three-dimensional, non-hydrostatic flows that drive these phenomena. A conservative level set scheme suitable for higher-order finite element methods is used to describe the air/water phase interaction. The interaction of these air/water flows with granular materials, such as sand and rubble, must also be modeled. The range of granular media dynamics targeted including flow and wave transmision through the solid media as well as erosion and deposition of granular media and moving bed dynamics. For the granular phase we consider volume- and time-averaged continuum mechanical formulations that are discretized with the finite element method and coupled to the underlying air/water flow via operator splitting (fractional step) schemes. Particular attention will be given to verification and validation of the numerical model and important qualitative features of the numerical methods including phase conservation, wave energy dissipation, and computational efficiency in regimes of interest.

TOUGH2 User's Guide Version 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pruess, K.; Oldenburg, C.M.; Moridis, G.J.

1999-11-01

TOUGH2 is a numerical simulator for nonisothermal flows of multicomponent, multiphase fluids in one, two, and three-dimensional porous and fractured media. The chief applications for which TOUGH2 is designed are in geothermal reservoir engineering, nuclear waste disposal, environmental assessment and remediation, and unsaturated and saturated zone hydrology. TOUGH2 was first released to the public in 1991; the 1991 code was updated in 1994 when a set of preconditioned conjugate gradient solvers was added to allow a more efficient solution of large problems. The current Version 2.0 features several new fluid property modules and offers enhanced process modeling capabilities, such asmore » coupled reservoir-wellbore flow, precipitation and dissolution effects, and multiphase diffusion. Numerous improvements in previously released modules have been made and new user features have been added, such as enhanced linear equation solvers, and writing of graphics files. The T2VOC module for three-phase flows of water, air and a volatile organic chemical (VOC), and the T2DM module for hydrodynamic dispersion in 2-D flow systems have been integrated into the overall structure of the code and are included in the Version 2.0 package. Data inputs are upwardly compatible with the previous version. Coding changes were generally kept to a minimum, and were only made as needed to achieve the additional functionalities desired. TOUGH2 is written in standard FORTRAN77 and can be run on any platform, such as workstations, PCs, Macintosh, mainframe and supercomputers, for which appropriate FORTRAN compilers are available. This report is a self-contained guide to application of TOUGH2 to subsurface flow problems. It gives a technical description of the TOUGH2 code, including a discussion of the physical processes modeled, and the mathematical and numerical methods used. Illustrative sample problems are presented along with detailed instructions for preparing input data.« less

Simulation of Liquid Droplet in Air and on a Solid Surface

NASA Astrophysics Data System (ADS)

Launglucknavalai, Kevin

Although multiphase gas and liquid phenomena occurs widely in engineering problems, many aspects of multiphase interaction like within droplet dynamics are still not quantified. This study aims to qualify the Lattice Boltzmann (LBM) Interparticle Potential multiphase computational method in order to build a foundation for future multiphase research. This study consists of two overall sections. The first section in Chapter 2 focuses on understanding the LBM method and Interparticle Potential model. It outlines the LBM method and how it relates to macroscopic fluid dynamics. The standard form of LBM is obtained. The perturbation solution obtaining the Navier-Stokes equations from the LBM equation is presented. Finally, the Interparticle Potential model is incorporated into the numerical LBM method. The second section in Chapter 3 presents the verification and validation cases to confirm the behavior of the single-phase and multiphase LBM models. Experimental and analytical results are used briefly to compare with numerical results when possible using Poiseuille channel flow and flow over a cylinder. While presenting the numerical results, practical considerations like converting LBM scale variables to physical scale variables are considered. Multiphase results are verified using Laplaces law and artificial behaviors of the model are explored. In this study, a better understanding of the LBM method and Interparticle Potential model is gained. This allows the numerical method to be used for comparison with experimental results in the future and provides a better understanding of multiphase physics overall.

Multicomponent, Multiphase Thermodynamics of Swelling Porous Media With Electroquasistatics. 1. Macroscale Field Equations

DTIC Science & Technology

2001-08-08

entropy inequality with independent variables consistent with several natural systems and apply the resulting constitutive theory near equi- librium...1973. [3] L. S. Bennethum and J. H. Cushman. Multiscale , hybrid mixture theory for swelling systems - I: Balance laws. International Journal of...Engineering Science, 34(2):125–145, 1996. [4] L. S. Bennethum and J. H. Cushman. Multiscale , hybrid mixture theory for swelling systems - II: Constitutive

The influence of precipitation kinetics on trace element partitioning between solid and liquid solutions: A coupled fluid dynamics/thermodynamics framework to predict distribution coefficients

NASA Astrophysics Data System (ADS)

Kavner, A.

2017-12-01

In a multicomponent multiphase geochemical system undergoing a chemical reaction such as precipitation and/or dissolution, the partitioning of species between phases is determined by a combination of thermodynamic properties and transport processes. The interpretation of the observed distribution of trace elements requires models integrating coupled chemistry and mechanical transport. Here, a framework is presented that predicts the kinetic effects on the distribution of species between two reacting phases. Based on a perturbation theory combining Navier-Stokes fluid flow and chemical reactivity, the framework predicts rate-dependent partition coefficients in a variety of different systems. We present the theoretical framework, with applications to two systems: 1. species- and isotope-dependent Soret diffusion of species in a multicomponent silicate melt subjected to a temperature gradient, and 2. Elemental partitioning and isotope fractionation during precipitation of a multicomponent solid from a multicomponent liquid phase. Predictions will be compared with results from experimental studies. The approach has applications for understanding chemical exchange in at boundary layers such as the Earth's surface magmatic systems and at the core/mantle boundary.

Tough2{_}MP: A parallel version of TOUGH2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Keni; Wu, Yu-Shu; Ding, Chris

2003-04-09

TOUGH2{_}MP is a massively parallel version of TOUGH2. It was developed for running on distributed-memory parallel computers to simulate large simulation problems that may not be solved by the standard, single-CPU TOUGH2 code. The new code implements an efficient massively parallel scheme, while preserving the full capacity and flexibility of the original TOUGH2 code. The new software uses the METIS software package for grid partitioning and AZTEC software package for linear-equation solving. The standard message-passing interface is adopted for communication among processors. Numerical performance of the current version code has been tested on CRAY-T3E and IBM RS/6000 SP platforms. Inmore » addition, the parallel code has been successfully applied to real field problems of multi-million-cell simulations for three-dimensional multiphase and multicomponent fluid and heat flow, as well as solute transport. In this paper, we will review the development of the TOUGH2{_}MP, and discuss the basic features, modules, and their applications.« less

Modeling of gun barrel surface erosion: Historic perspective

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buckingham, A.C.

1996-08-01

Results and interpretations of numerical simulations of some dominant processes influencing gun barrel propellant combustion and flow-induced erosion are presented. Results include modeled influences of erosion reduction techniques such as solid additives, vapor phase chemical modifications, and alteration of surface solid composition through use of thin coatings. Precedents and historical perspective are provided with predictions from traditional interior ballistics compared to computer simulations. Accelerating reactive combustion flow, multiphase and multicomponent transport, flow-to-surface thermal/momentum/phase change/gas-surface chemical exchanges, surface and micro-depth subsurface heating/stress/composition evolution and their roles in inducing surface cracking, spall, ablation, melting, and vaporization are considered. Recognition is given tomore » cyclic effects of previous firing history on material preconditioning. Current perspective and outlook for future are based on results of a US Army-LLNL erosion research program covering 7 y in late 1970s. This is supplemented by more recent research on hypervelocity electromagnetic projectile launchers.« less

DIANA: A multi-phase, multi-component hydrodynamic model for the analysis of severe accidents in heavy water reactors with multiple-tube assemblies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tentner, A.M.

1994-03-01

A detailed hydrodynamic fuel relocation model has been developed for the analysis of severe accidents in Heavy Water Reactors with multiple-tube Assemblies. This model describes the Fuel Disruption and Relocation inside a nuclear fuel assembly and is designated by the acronym DIANA. DIANA solves the transient hydrodynamic equations for all the moving materials in the core and treats all the relevant flow regimes. The numerical solution techniques and some of the physical models included in DIANA have been developed taking advantage of the extensive experience accumulated in the development and validation of the LEVITATE (1) fuel relocation model of SAS4Amore » [2, 3]. The model is designed to handle the fuel and cladding relocation in both voided and partially voided channels. It is able to treat a wide range of thermal/ hydraulic/neutronic conditions and the presence of various flow regimes at different axial locations within the same hydrodynamic channel.« less

Relative resolution: A hybrid formalism for fluid mixtures.

PubMed

Chaimovich, Aviel; Peter, Christine; Kremer, Kurt

2015-12-28

We show here that molecular resolution is inherently hybrid in terms of relative separation. While nearest neighbors are characterized by a fine-grained (geometrically detailed) model, other neighbors are characterized by a coarse-grained (isotropically simplified) model. We notably present an analytical expression for relating the two models via energy conservation. This hybrid framework is correspondingly capable of retrieving the structural and thermal behavior of various multi-component and multi-phase fluids across state space.

Relative resolution: A hybrid formalism for fluid mixtures

NASA Astrophysics Data System (ADS)

Chaimovich, Aviel; Peter, Christine; Kremer, Kurt

2015-12-01

We show here that molecular resolution is inherently hybrid in terms of relative separation. While nearest neighbors are characterized by a fine-grained (geometrically detailed) model, other neighbors are characterized by a coarse-grained (isotropically simplified) model. We notably present an analytical expression for relating the two models via energy conservation. This hybrid framework is correspondingly capable of retrieving the structural and thermal behavior of various multi-component and multi-phase fluids across state space.

Numerical modeling of experimental observations on gas formation and multi-phase flow of carbon dioxide in subsurface formations

NASA Astrophysics Data System (ADS)

Pawar, R.; Dash, Z.; Sakaki, T.; Plampin, M. R.; Lassen, R. N.; Illangasekare, T. H.; Zyvoloski, G.

2011-12-01

One of the concerns related to geologic CO2 sequestration is potential leakage of CO2 and its subsequent migration to shallow groundwater resources leading to geochemical impacts. Developing approaches to monitor CO2 migration in shallow aquifer and mitigate leakage impacts will require improving our understanding of gas phase formation and multi-phase flow subsequent to CO2 leakage in shallow aquifers. We are utilizing an integrated approach combining laboratory experiments and numerical simulations to characterize the multi-phase flow of CO2 in shallow aquifers. The laboratory experiments involve a series of highly controlled experiments in which CO2 dissolved water is injected in homogeneous and heterogeneous soil columns and tanks. The experimental results are used to study the effects of soil properties, temperature, pressure gradients and heterogeneities on gas formation and migration. We utilize the Finite Element Heat and Mass (FEHM) simulator (Zyvoloski et al, 2010) to numerically model the experimental results. The numerical models capture the physics of CO2 exsolution, multi-phase fluid flow as well as sand heterogeneity. Experimental observations of pressure, temperature and gas saturations are used to develop and constrain conceptual models for CO2 gas-phase formation and multi-phase CO2 flow in porous media. This talk will provide details of development of conceptual models based on experimental observation, development of numerical models for laboratory experiments and modelling results.

Efficient Reservoir Simulation with Cubic Plus Association and Cross-Association Equation of State for Multicomponent Three-Phase Compressible Flow with Applications in CO2 Storage and Methane Leakage

NASA Astrophysics Data System (ADS)

Moortgat, J.

2017-12-01

We present novel simulation tools to model multiphase multicomponent flow and transport in porous media for mixtures that contain non-polar hydrocarbons, self-associating polar water, and cross-associating molecules like methane, ethane, unsaturated hydrocarbons, CO2 and H2S. Such mixtures often occur when CO2 is injected and stored in saline aquifers, or when methane is leaking into groundwater. To accurately predict the species transfer between aqueous, gaseous and oleic phases, and the subsequent change in phase properties, the self- and cross-associating behavior of molecules needs to be taken into account, particularly at the typical temperatures and pressures in deep formations. The Cubic-Plus-Association equation-of-state (EOS) has been demonstrated to be highly accurate for such problems but its excessive computational cost has prevented widespread use in reservoir simulators. We discuss the thermodynamical framework and develop sophisticated numerical algorithms that allow reservoir simulations with efficiencies comparable to a simple cubic EOS. This approach improves our predictive powers for highly nonlinear fluid behavior related to geological carbon sequestration, such as density driven flow and natural convection (solubility trapping), evaporation of water into the CO2-rich gas phase, and competitive dissolution-evaporation when CO2 is injected in, e.g., methane saturated aquifers. Several examples demonstrate the accuracy and robustness of this EOS framework for complex applications.

Lattice Boltzmann Modeling of Complex Flows for Engineering Applications

NASA Astrophysics Data System (ADS)

Montessori, Andrea; Falcucci, Giacomo

2018-01-01

Nature continuously presents a huge number of complex and multiscale phenomena, which in many cases, involve the presence of one or more fluids flowing, merging and evolving around us. Since the very first years of the third millennium, the Lattice Boltzmann method (LB) has seen an exponential growth of applications, especially in the fields connected with the simulation of complex and soft matter flows. LB, in fact, has shown a remarkable versatility in different fields of applications from nanoactive materials, free surface flows, and multiphase and reactive flows to the simulation of the processes inside engines and fluid machinery. In this book, the authors present the most recent advances of the application of the LB to complex flow phenomena of scientific and technical interest with focus on the multiscale modeling of heterogeneous catalysis within nano-porous media and multiphase, multicomponent flows.

a Marker-Based Eulerian-Lagrangian Method for Multiphase Flow with Supersonic Combustion Applications

NASA Astrophysics Data System (ADS)

Fan, Xiaofeng; Wang, Jiangfeng

2016-06-01

The atomization of liquid fuel is a kind of intricate dynamic process from continuous phase to discrete phase. Procedures of fuel spray in supersonic flow are modeled with an Eulerian-Lagrangian computational fluid dynamics methodology. The method combines two distinct techniques and develops an integrated numerical simulation method to simulate the atomization processes. The traditional finite volume method based on stationary (Eulerian) Cartesian grid is used to resolve the flow field, and multi-component Navier-Stokes equations are adopted in present work, with accounting for the mass exchange and heat transfer occupied by vaporization process. The marker-based moving (Lagrangian) grid is utilized to depict the behavior of atomized liquid sprays injected into a gaseous environment, and discrete droplet model 13 is adopted. To verify the current approach, the proposed method is applied to simulate processes of liquid atomization in supersonic cross flow. Three classic breakup models, TAB model, wave model and K-H/R-T hybrid model, are discussed. The numerical results are compared with multiple perspectives quantitatively, including spray penetration height and droplet size distribution. In addition, the complex flow field structures induced by the presence of liquid spray are illustrated and discussed. It is validated that the maker-based Eulerian-Lagrangian method is effective and reliable.

Pore-scale discretisation limits of multiphase lattice-Boltzmann methods

NASA Astrophysics Data System (ADS)

Li, Z.; Middleton, J.; Varslot, T.; Sheppard, A.

2015-12-01

Lattice-Boltzmann (LB) modeling is a popular method for the numerical solution of the Navier-Stokes equations and several multi-component LB models are widely used to simulate immiscible two-phase fluid flow in porous media. However, there has been relatively little study of the models' ability to make optimal use of 3D imagery by considering the minimum number of grid points that are needed to represent geometric features such as pore throats. This is of critical importance since 3D images of geological samples are a compromise between resolution and field of view. In this work we explore the discretisation limits of LB models, their behavior near these limits, and the consequences of this behavior for simulations of drainage and imbibition. We quantify the performance of two commonly used multiphase LB models: Shan-Chen (SC) and Rothman-Keller (RK) models in a set of tests, including simulations of bubbles in bulk fluid, on flat surfaces, confined in flat/tilted tubes, and fluid invasion into single tubes. Simple geometries like these allow better quantification of model behavior and better understanding of breakdown mechanisms. In bulk fluid, bubble radii less than 2.5 grid units (image voxels) cause numerical instability in SC model; the RK model is stable to a radius of 2.5 units and below, but with poor agreement with the Laplace's law. When confined to a flat duct, the SC model can simulate similar radii to RK model, but with higher interface spurious currents than the RK model and some risk of instability. In tilted ducts with 'staircase' voxel-level roughness, the SC model seems to average the roughness, whereas for RK model only the 'peaks' of the surface are relevant. Overall, our results suggest that LB models can simulate fluid capillary pressure corresponding to interfacial radii of just 1.5 grid units, with the RK model exhibiting significantly better stability.

Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

DOE PAGES

Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; ...

2014-12-31

Carbon stable isotopes can be used in characterization and monitoring of CO 2 sequestration sites to track the migration of the CO 2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO 2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO 2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport modulemore » of TOUGHREACT was modified to include separate isotopic species of CO 2 gas and dissolved inorganic carbon (CO 2, CO 3 2-, HCO 3 -,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO 2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.« less

Diffuse interface method for a compressible binary fluid.

PubMed

Liu, Jiewei; Amberg, Gustav; Do-Quang, Minh

2016-01-01

Multicomponent, multiphase, compressible flows are very important in real life, as well as in scientific research, while their modeling is in an early stage. In this paper, we propose a diffuse interface model for compressible binary mixtures, based on the balance of mass, momentum, energy, and the second law of thermodynamics. We show both analytically and numerically that this model is able to describe the phase equilibrium for a real binary mixture (CO_{2} + ethanol is considered in this paper) very well by adjusting the parameter which measures the attraction force between molecules of the two components in the model. We also show that the calculated surface tension of the CO_{2} + ethanol mixture at different concentrations match measurements in the literature when the mixing capillary coefficient is taken to be the geometric mean of the capillary coefficient of each component. Three different cases of two droplets in a shear flow, with the same or different concentration, are simulated, showing that the higher concentration of CO_{2} the smaller the surface tension and the easier the drop deforms.

Verification and benchmark testing of the NUFT computer code

NASA Astrophysics Data System (ADS)

Lee, K. H.; Nitao, J. J.; Kulshrestha, A.

1993-10-01

This interim report presents results of work completed in the ongoing verification and benchmark testing of the NUFT (Nonisothermal Unsaturated-saturated Flow and Transport) computer code. NUFT is a suite of multiphase, multicomponent models for numerical solution of thermal and isothermal flow and transport in porous media, with application to subsurface contaminant transport problems. The code simulates the coupled transport of heat, fluids, and chemical components, including volatile organic compounds. Grid systems may be cartesian or cylindrical, with one-, two-, or fully three-dimensional configurations possible. In this initial phase of testing, the NUFT code was used to solve seven one-dimensional unsaturated flow and heat transfer problems. Three verification and four benchmarking problems were solved. In the verification testing, excellent agreement was observed between NUFT results and the analytical or quasianalytical solutions. In the benchmark testing, results of code intercomparison were very satisfactory. From these testing results, it is concluded that the NUFT code is ready for application to field and laboratory problems similar to those addressed here. Multidimensional problems, including those dealing with chemical transport, will be addressed in a subsequent report.

Intercalation compounds and electrodes for batteries

DOEpatents

Chiang, Yet-Ming; Sadoway, Donald R.; Jang, Young-Il; Huang, Biyan

2004-09-07

This invention concerns intercalation compounds and in particular lithium intercalation compounds which have improved properties for use in batteries. Compositions of the invention include particulate metal oxide material having particles of multicomponent metal oxide, each including an oxide core of at least first and second metals in a first ratio, and each including a surface coating of metal oxide or hydroxide that does not include the first and second metals in the first ratio formed by segregation of at least one of the first and second metals from the core. The core may preferably comprise Li.sub.x M.sub.y N.sub.z O.sub.2 wherein M and N are metal atom or main group elements, x, y and z are numbers from about 0 to about 1 and y and z are such that a formal charge on M.sub.y N.sub.z portion of the compound is (4-x), and having a charging voltage of at least about 2.5V. The invention may also be characterized as a multicomponent oxide microstructure usable as a lithium intercalation material including a multiphase oxide core and a surface layer of one material, which is a component of the multiphase oxide core, that protects the underlying intercalation material from chemical dissolution or reaction. In a particular preferred example the multicomponent oxide may be an aluminum-doped lithium manganese oxide composition. Such aluminum-doped lithium manganese oxide compositions, having an orthorhombic structure, also form a part of the invention. In addition, the invention includes articles, particularly electrodes, for batteries formed from the compositions of the invention, and batteries including such electrodes. The invention further relates to a composite intercalation material comprising at least two compounds in which at least one compound has an orthorhombic structure Li.sub.x Al.sub.y Mn.sub.1-y O.sub.2, where y is nonzero, or a mixture of orthorhombic and monoclinic Li.sub.x Al.sub.y Mn.sub.1-y O.sub.2.

Predicting the ash behavior during biomass combustion in FBC conditions by combining advanced fuel analyses with thermodynamic multicomponent equilibrium calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skrifvars, B.J.; Blomquist, J.P.; Hupa, M.

1998-12-31

Previous work at Aabo Akademi University has focused on identification and quantification of various sintering mechanisms which are relevant for problematic ash behavior during biomass combustion in fluidized bed combustion conditions, and on multi-component multi-phase thermodynamic phase equilibrium calculations of ash chemistry in these conditions. In both areas new information has been developed and useful modeling capabilities have been created. Based on the previous work, the authors now present a novel approach of using a combination of an advanced fuel analysis method and thermodynamic phase equilibrium calculations to predict the chemical and thermal behavior of the ash when firing biomass.more » Four different fuels [coal, forest residues, wood chips, and a mixture of forest residue and wood chips] were analyzed using the chemical fractionation analysis technique. Based on the results from these analyses, the authors formed two different ash fractions, (1) one fine sized fraction consisting of those elements found in the water and weak acid leach, and (2) a coarse ash particle fraction consisting of those elements found in the strong acid leach and non-leachable rest. The small sized ash fraction was then assumed to be carried up with the flue gases and consequently formed the base for any ash related problems in the flue gas channel. This fraction was therefore analyzed on its chemical and thermal behavior using multi-component multi-phase equilibrium calculations, by which the composition and the melting behavior was estimated as a function of the temperature. The amount of melt, which has earlier been found to be strongly related to problematic ash behavior, was finally expressed as a function of the temperature for the fraction. The coarse fraction was treated separately. Here the authors estimate the composition only. The paper discusses the results and their relevance to full scale combustion.« less

Eliminating cubic terms in the pseudopotential lattice Boltzmann model for multiphase flow

NASA Astrophysics Data System (ADS)

Huang, Rongzong; Wu, Huiying; Adams, Nikolaus A.

2018-05-01

It is well recognized that there exist additional cubic terms of velocity in the lattice Boltzmann (LB) model based on the standard lattice. In this work, elimination of these cubic terms in the pseudopotential LB model for multiphase flow is investigated, where the force term and density gradient are considered. By retaining high-order (≥3 ) Hermite terms in the equilibrium distribution function and the discrete force term, as well as introducing correction terms in the LB equation, the additional cubic terms of velocity are entirely eliminated. With this technique, the computational simplicity of the pseudopotential LB model is well maintained. Numerical tests, including stationary and moving flat and circular interface problems, are carried out to show the effects of such cubic terms on the simulation of multiphase flow. It is found that the elimination of additional cubic terms is beneficial to reduce the numerical error, especially when the velocity is relatively large. Numerical results also suggest that these cubic terms mainly take effect in the interfacial region and that the density-gradient-related cubic terms are more important than the other cubic terms for multiphase flow.

Multi-phase SPH model for simulation of erosion and scouring by means of the shields and Drucker-Prager criteria.

NASA Astrophysics Data System (ADS)

Zubeldia, Elizabeth H.; Fourtakas, Georgios; Rogers, Benedict D.; Farias, Márcio M.

2018-07-01

A two-phase numerical model using Smoothed Particle Hydrodynamics (SPH) is developed to model the scouring of two-phase liquid-sediments flows with large deformation. The rheology of sediment scouring due to flows with slow kinematics and high shear forces presents a challenge in terms of spurious numerical fluctuations. This paper bridges the gap between the non-Newtonian and Newtonian flows by proposing a model that combines the yielding, shear and suspension layer mechanics which are needed to predict accurately the local erosion phenomena. A critical bed-mobility condition based on the Shields criterion is imposed to the particles located at the sediment surface. Thus, the onset of the erosion process is independent on the pressure field and eliminates the numerical problem of pressure dependant erosion at the interface. This is combined with the Drucker-Prager yield criterion to predict the onset of yielding of the sediment surface and a concentration suspension model. The multi-phase model has been implemented in the open-source DualSPHysics code accelerated with a graphics processing unit (GPU). The multi-phase model has been compared with 2-D reference numerical models and new experimental data for scour with convergent results. Numerical results for a dry-bed dam break over an erodible bed shows improved agreement with experimental scour and water surface profiles compared to well-known SPH multi-phase models.

A one-dimensional sectional model to simulate multicomponent aerosol dynamics in the marine boundary layer 3. Numerical methods and comparisons with exact solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gelbard, F.; Fitzgerald, J.W.; Hoppel, W.A.

1998-07-01

We present the theoretical framework and computational methods that were used by {ital Fitzgerald} {ital et al.} [this issue (a), (b)] describing a one-dimensional sectional model to simulate multicomponent aerosol dynamics in the marine boundary layer. The concepts and limitations of modeling spatially varying multicomponent aerosols are elucidated. New numerical sectional techniques are presented for simulating multicomponent aerosol growth, settling, and eddy transport, coupled to time-dependent and spatially varying condensing vapor concentrations. Comparisons are presented with new exact solutions for settling and particle growth by simultaneous dynamic condensation of one vapor and by instantaneous equilibration with a spatially varying secondmore » vapor. {copyright} 1998 American Geophysical Union« less

Impact of eliminating fracture intersection nodes in multiphase compositional flow simulation

NASA Astrophysics Data System (ADS)

Walton, Kenneth M.; Unger, Andre J. A.; Ioannidis, Marios A.; Parker, Beth L.

2017-04-01

Algebraic elimination of nodes at discrete fracture intersections via the star-delta technique has proven to be a valuable tool for making multiphase numerical simulations more tractable and efficient. This study examines the assumptions of the star-delta technique and exposes its effects in a 3-D, multiphase context for advective and dispersive/diffusive fluxes. Key issues of relative permeability-saturation-capillary pressure (kr-S-Pc) and capillary barriers at fracture-fracture intersections are discussed. This study uses a multiphase compositional, finite difference numerical model in discrete fracture network (DFN) and discrete fracture-matrix (DFM) modes. It verifies that the numerical model replicates analytical solutions and performs adequately in convergence exercises (conservative and decaying tracer, one and two-phase flow, DFM and DFN domains). The study culminates in simulations of a two-phase laboratory experiment in which a fluid invades a simple fracture intersection. The experiment and simulations evoke different invading fluid flow paths by varying fracture apertures as oil invades water-filled fractures and as water invades air-filled fractures. Results indicate that the node elimination technique as implemented in numerical model correctly reproduces the long-term flow path of the invading fluid, but that short-term temporal effects of the capillary traps and barriers arising from the intersection node are lost.

A numerical multi-scale model to predict macroscopic material anisotropy of multi-phase steels from crystal plasticity material definitions

NASA Astrophysics Data System (ADS)

Ravi, Sathish Kumar; Gawad, Jerzy; Seefeldt, Marc; Van Bael, Albert; Roose, Dirk

2017-10-01

A numerical multi-scale model is being developed to predict the anisotropic macroscopic material response of multi-phase steel. The embedded microstructure is given by a meso-scale Representative Volume Element (RVE), which holds the most relevant features like phase distribution, grain orientation, morphology etc., in sufficient detail to describe the multi-phase behavior of the material. A Finite Element (FE) mesh of the RVE is constructed using statistical information from individual phases such as grain size distribution and ODF. The material response of the RVE is obtained for selected loading/deformation modes through numerical FE simulations in Abaqus. For the elasto-plastic response of the individual grains, single crystal plasticity based plastic potential functions are proposed as Abaqus material definitions. The plastic potential functions are derived using the Facet method for individual phases in the microstructure at the level of single grains. The proposed method is a new modeling framework and the results presented in terms of macroscopic flow curves are based on the building blocks of the approach, while the model would eventually facilitate the construction of an anisotropic yield locus of the underlying multi-phase microstructure derived from a crystal plasticity based framework.

An Advanced Reservoir Simulator for Tracer Transport in Multicomponent Multiphase Compositional Flow and Applications to the Cranfield CO2 Sequestration Site

NASA Astrophysics Data System (ADS)

Moortgat, J.

2015-12-01

Reservoir simulators are widely used to constrain uncertainty in the petrophysical properties of subsurface formations by matching the history of injection and production data. However, such measurements may be insufficient to uniquely characterize a reservoir's properties. Monitoring of natural (isotopic) and introduced tracers is a developing technology to further interrogate the subsurface for applications such as enhanced oil recovery from conventional and unconventional resources, and CO2 sequestration. Oak Ridge National Laboratory has been piloting this tracer technology during and following CO2 injection at the Cranfield, Mississippi, CO2 sequestration test site. Two campaigns of multiple perfluorocarbon tracers were injected together with CO2 and monitored at two wells at 68 m and 112 m from the injection site. The tracer data suggest that multiple CO2 flow paths developed towards the monitoring wells, indicative of either channeling through high permeability pathways or of fingering. The results demonstrate that tracers provide an important complement to transient pressure data. Numerical modeling is essential to further explain and interpret the observations. To aid the development of tracer technology, we enhanced a compositional multiphase reservoir simulator to account for tracer transport. Our research simulator uses higher-order finite element (FE) methods that can capture the small-scale onset of fingering on the coarse grids required for field-scale modeling, and allows for unstructured grids and anisotropic heterogeneous permeability fields. Mass transfer between fluid phases and phase behavior are modeled with rigorous equation-of-state based phase-split calculations. We present our tracer simulator and preliminary results related to the Cranfield experiments. Applications to noble gas tracers in unconventional resources are presented by Darrah et al.

Predictive uncertainty analysis of plume distribution for geological carbon sequestration using sparse-grid Bayesian method

NASA Astrophysics Data System (ADS)

Shi, X.; Zhang, G.

2013-12-01

Because of the extensive computational burden, parametric uncertainty analyses are rarely conducted for geological carbon sequestration (GCS) process based multi-phase models. The difficulty of predictive uncertainty analysis for the CO2 plume migration in realistic GCS models is not only due to the spatial distribution of the caprock and reservoir (i.e. heterogeneous model parameters), but also because the GCS optimization estimation problem has multiple local minima due to the complex nonlinear multi-phase (gas and aqueous), and multi-component (water, CO2, salt) transport equations. The geological model built by Doughty and Pruess (2004) for the Frio pilot site (Texas) was selected and assumed to represent the 'true' system, which was composed of seven different facies (geological units) distributed among 10 layers. We chose to calibrate the permeabilities of these facies. Pressure and gas saturation values from this true model were then extracted and used as observations for subsequent model calibration. Random noise was added to the observations to approximate realistic field conditions. Each simulation of the model lasts about 2 hours. In this study, we develop a new approach that improves computational efficiency of Bayesian inference by constructing a surrogate system based on an adaptive sparse-grid stochastic collocation method. This surrogate response surface global optimization algorithm is firstly used to calibrate the model parameters, then prediction uncertainty of the CO2 plume position is quantified due to the propagation from parametric uncertainty in the numerical experiments, which is also compared to the actual plume from the 'true' model. Results prove that the approach is computationally efficient for multi-modal optimization and prediction uncertainty quantification for computationally expensive simulation models. Both our inverse methodology and findings can be broadly applicable to GCS in heterogeneous storage formations.

Experimental Investigation of Gas/Slag/Matte/Tridymite Equilibria in the Cu-Fe-O-S-Si System in Controlled Atmospheres: Development of Technique

NASA Astrophysics Data System (ADS)

Fallah-Mehrjardi, Ata; Hidayat, Taufiq; Hayes, Peter C.; Jak, Evgueni

2017-12-01

The majority of primary pyrometallurgical copper making processes involve the formation of two immiscible liquid phases, i.e., matte product and the slag phase. There are significant gaps and discrepancies in the phase equilibria data of the slag and the matte systems due to issues and difficulties in performing the experiments and phase analysis. The present study aims to develop an improved experimental methodology for accurate characterisation of gas/slag/matte/tridymite equilibria in the Cu-Fe-O-S-Si system under controlled atmospheres. The experiments involve high-temperature equilibration of synthetic mixtures on silica substrates in CO/CO2/SO2/Ar atmospheres, rapid quenching of samples into water, and direct composition measurement of the equilibrium phases using Electron Probe X-ray Microanalysis (EPMA). A four-point-test procedure was applied to ensure the achievement of equilibrium, which included the following: (i) investigation of equilibration as a function of time, (ii) assessment of phase homogeneity, (iii) confirmation of equilibrium by approaching from different starting conditions, and (iv) systematic analysis of the reactions specific to the system. An iterative improved experimental methodology was developed using this four-point-test approach to characterize the complex multi-component, multi-phase equilibria with high accuracy and precision. The present study is a part of a broader overall research program on the characterisation of the multi-component (Cu-Fe-O-S-Si-Al-Ca-Mg), multi-phase (gas/slag/matte/metal/solids) systems with minor elements (Pb, Zn, As, Bi, Sn, Sb, Ag, and Au).

Numerical investigation of a modified family of centered schemes applied to multiphase equations with nonconservative sources

NASA Astrophysics Data System (ADS)

Crochet, M. W.; Gonthier, K. A.

2013-12-01

Systems of hyperbolic partial differential equations are frequently used to model the flow of multiphase mixtures. These equations often contain sources, referred to as nozzling terms, that cannot be posed in divergence form, and have proven to be particularly challenging in the development of finite-volume methods. Upwind schemes have recently shown promise in properly resolving the steady wave solution of the associated multiphase Riemann problem. However, these methods require a full characteristic decomposition of the system eigenstructure, which may be either unavailable or computationally expensive. Central schemes, such as the Kurganov-Tadmor (KT) family of methods, require minimal characteristic information, which makes them easily applicable to systems with an arbitrary number of phases. However, the proper implementation of nozzling terms in these schemes has been mathematically ambiguous. The primary objectives of this work are twofold: first, an extension of the KT family of schemes is proposed that formally accounts for the nonconservative nozzling sources. This modification results in a semidiscrete form that retains the simplicity of its predecessor and introduces little additional computational expense. Second, this modified method is applied to multiple, but equivalent, forms of the multiphase equations to perform a numerical study by solving several one-dimensional test problems. Both ideal and Mie-Grüneisen equations of state are used, with the results compared to an analytical solution. This study demonstrates that the magnitudes of the resulting numerical errors are sensitive to the form of the equations considered, and suggests an optimal form to minimize these errors. Finally, a separate modification of the wave propagation speeds used in the KT family is also suggested that can reduce the extent of numerical diffusion in multiphase flows.

Laboratory and numerical decompression experiments: an insight into the nucleation and growth of bubbles

NASA Astrophysics Data System (ADS)

Spina, L.; Colucci, S.; De'Michieli Vitturi, M.; Scheu, B.; Dingwell, D. B.

2014-12-01

Numerical modeling, joined with experimental investigations, is fundamental for studying the dynamics of magmatic fluid into the conduit, where direct observations are unattainable. Furthermore, laboratory experiments can provide invaluable data to vunalidate complex multiphase codes. With the aim on unveil the essence of nucleation process, as well as the behavior of the multiphase magmatic fluid, we performed slow decompression experiments in a shock tube system. We choose silicon oil as analogue for the magmatic melt, and saturated it with Argon at 10 MPa for 72h. The slow decompression to atmospheric conditions was monitored through a high speed camera and pressure sensors, located into the experimental conduit. The experimental conditions of the decompression process have then been reproduced numerically with a compressible multiphase solver based on OpenFOAM. Numerical simulations have been performed by the OpenFOAM compressibleInterFoam solver for 2 compressible, non-isothermal immiscible fluids, using a VOF (volume of fluid) phase-fraction based interface capturing approach. The data extracted from 2D images obtained from laboratory analyses were compared to the outcome of numerical investigation, showing the capability of the model to capture the main processes studied.

Experience in using a numerical scheme with artificial viscosity at solving the Riemann problem for a multi-fluid model of multiphase flow

NASA Astrophysics Data System (ADS)

Bulovich, S. V.; Smirnov, E. M.

2018-05-01

The paper covers application of the artificial viscosity technique to numerical simulation of unsteady one-dimensional multiphase compressible flows on the base of the multi-fluid approach. The system of the governing equations is written under assumption of the pressure equilibrium between the "fluids" (phases). No interfacial exchange is taken into account. A model for evaluation of the artificial viscosity coefficient that (i) assumes identity of this coefficient for all interpenetrating phases and (ii) uses the multiphase-mixture Wood equation for evaluation of a scale speed of sound has been suggested. Performance of the artificial viscosity technique has been evaluated via numerical solution of a model problem of pressure discontinuity breakdown in a three-fluid medium. It has been shown that a relatively simple numerical scheme, explicit and first-order, combined with the suggested artificial viscosity model, predicts a physically correct behavior of the moving shock and expansion waves, and a subsequent refinement of the computational grid results in a monotonic approaching to an asymptotic time-dependent solution, without non-physical oscillations.

Physical and technological principles of designing layer-gradient multicomponent surfaces by combining the methods of ion-diffusion saturation and magnetron- and vacuum-arc deposition

NASA Astrophysics Data System (ADS)

Savostikov, V. M.; Potekaev, A. I.; Tabachenko, A. N.

2011-12-01

Using a technological system proposed by the authors, a combined process is developed for formation of stratified-gradient surface layers and multicomponent coatings. It is implemented under the conditions of a combined serial-parallel operation of a hot-cathode gas plasma generator and a duomagnetron with two targets and two electric-arc evaporators. The extended functional potential is ensured by using advanced multi-element and multi-phase cathode targets made of borides, carbides, silicides, and sulfides of metals produced by the SHS-process followed by their immediate compaction. The variations in composition, structure, and physicomechanical properties in the cross-section of the stratified-gradient surface layers and coating is provided by a predetermined alternating replacement of the sputtered cathode targets of the plasma sources, the plasma flow intensity ratios, and variation in the particle energy incident on the substrate, which is determined by the accelerating voltage on the substrate.

Simulation and Optimization of Large Scale Subsurface Environmental Impacts; Investigations, Remedial Design and Long Term Monitoring

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deschaine, L.M.; Chalmers Univ. of Technology, Dept. of Physical Resources, Complex Systems Group, Goteborg

2008-07-01

The global impact to human health and the environment from large scale chemical / radionuclide releases is well documented. Examples are the wide spread release of radionuclides from the Chernobyl nuclear reactors, the mobilization of arsenic in Bangladesh, the formation of Environmental Protection Agencies in the United States, Canada and Europe, and the like. The fiscal costs of addressing and remediating these issues on a global scale are astronomical, but then so are the fiscal and human health costs of ignoring them. An integrated methodology for optimizing the response(s) to these issues is needed. This work addresses development of optimalmore » policy design for large scale, complex, environmental issues. It discusses the development, capabilities, and application of a hybrid system of algorithms that optimizes the environmental response. It is important to note that 'optimization' does not singularly refer to cost minimization, but to the effective and efficient balance of cost, performance, risk, management, and societal priorities along with uncertainty analysis. This tool integrates all of these elements into a single decision framework. It provides a consistent approach to designing optimal solutions that are tractable, traceable, and defensible. The system is modular and scalable. It can be applied either as individual components or in total. By developing the approach in a complex systems framework, a solution methodology represents a significant improvement over the non-optimal 'trial and error' approach to environmental response(s). Subsurface environmental processes are represented by linear and non-linear, elliptic and parabolic equations. The state equations solved using numerical methods include multi-phase flow (water, soil gas, NAPL), and multicomponent transport (radionuclides, heavy metals, volatile organics, explosives, etc.). Genetic programming is used to generate the simulators either when simulation models do not exist, or to extend the accuracy of them. The uncertainty and sparse nature of information in earth science simulations necessitate stochastic representations. For discussion purposes, the solution to these site-wide challenges is divided into three sub-components; plume finding, long term monitoring, and site-wide remediation. Plume finding is the optimal estimation of the plume fringe(s) at a specified time. It is optimized by fusing geo-stochastic flow and transport simulations with the information content of data using a Kalman filter. The result is an optimal monitoring sensor network; the decision variable is location(s) of sensor in three dimensions. Long term monitoring extends this approach concept, and integrates the spatial-time correlations to optimize the decision variables of where to sample and when to sample over the project life cycle. Optimization of location and timing of samples to meet the desired accuracy of temporal plume movement is accomplished using enumeration or genetic algorithms. The remediation optimization solves the multi-component, multiphase system of equations and incorporates constraints on life-cycle costs, maximum annual costs, maximum allowable annual discharge (for assessing the monitored natural attenuation solution) and constraints on where remedial system component(s) can be located, including management overrides to force certain solutions to be chosen are incorporated for solution design. It uses a suite of optimization techniques, including the outer approximation method, Lipchitz global optimization, genetic algorithms, and the like. The automated optimal remedial design algorithm requires a stable simulator be available for the simulated process. This is commonly the case for all above specifications sans true three-dimensional multiphase flow. Much work is currently being conducted in the industry to develop stable 3D, three-phase simulators. If needed, an interim heuristic algorithm is available to get close to optimal for these conditions. This system process provides the full capability to optimize multi-source, multiphase, and multicomponent sites. The results of applying just components of these algorithms have produced predicted savings of as much as $90,000,000(US), when compared to alternative solutions. Investment in a pilot program to test the model saved 100% of the $20,000,000 predicted for the smaller test implementation. This was done without loss of effectiveness, and received an award from the Vice President - and now Nobel peace prize winner - Al Gore of the United States. (authors)« less

Characterizing Drainage Multiphase Flow in Heterogeneous Sandstones

NASA Astrophysics Data System (ADS)

Jackson, Samuel J.; Agada, Simeon; Reynolds, Catriona A.; Krevor, Samuel

2018-04-01

In this work, we analyze the characterization of drainage multiphase flow properties on heterogeneous rock cores using a rich experimental data set and mm-m scale numerical simulations. Along with routine multiphase flow properties, 3-D submeter scale capillary pressure heterogeneity is characterized by combining experimental observations and numerical calibration, resulting in a 3-D numerical model of the rock core. The uniqueness and predictive capability of the numerical models are evaluated by accurately predicting the experimentally measured relative permeability of N2—DI water and CO2—brine systems in two distinct sandstone rock cores across multiple fractional flow regimes and total flow rates. The numerical models are used to derive equivalent relative permeabilities, which are upscaled functions incorporating the effects of submeter scale capillary pressure. The functions are obtained across capillary numbers which span four orders of magnitude, representative of the range of flow regimes that occur in subsurface CO2 injection. Removal of experimental boundary artifacts allows the derivation of equivalent functions which are characteristic of the continuous subsurface. We also demonstrate how heterogeneities can be reorientated and restructured to efficiently estimate flow properties in rock orientations differing from the original core sample. This analysis shows how combined experimental and numerical characterization of rock samples can be used to derive equivalent flow properties from heterogeneous rocks.

Scaling Relations for Viscous and Gravitational Flow Instabilities in Multiphase Multicomponent Compressible Flow

NASA Astrophysics Data System (ADS)

Moortgat, J.; Amooie, M. A.; Soltanian, M. R.

2016-12-01

Problems in hydrogeology and hydrocarbon reservoirs generally involve the transport of solutes in a single solvent phase (e.g., contaminants or dissolved injection gas), or the flow of multiple phases that may or may not exchange mass (e.g., brine, NAPL, oil, gas). Often, flow is viscously and gravitationally unstable due to mobility and density contrasts within a phase or between phases. Such instabilities have been studied in detail for single-phase incompressible fluids and for two-phase immiscible flow, but to a lesser extent for multiphase multicomponent compressible flow. The latter is the subject of this presentation. Robust phase stability analyses and phase split calculations, based on equations of state, determine the mass exchange between phases and the resulting phase behavior, i.e., phase densities, viscosities, and volumes. Higher-order finite element methods and fine grids are used to capture the small-scale onset of flow instabilities. A full matrix of composition dependent coefficients is considered for each Fickian diffusive phase flux. Formation heterogeneity can have a profound impact and is represented by realistic geostatistical models. Qualitatively, fingering in multiphase compositional flow is different from single-phase problems because 1) phase mobilities depend on rock wettability through relative permeabilities, and 2) the initial density and viscosity ratios between phases may change due to species transfer. To quantify mixing rates in different flow regimes and for varying degrees of miscibility and medium heterogeneities, we define the spatial variance, scalar dissipation rate, dilution index, skewness, and kurtosis of the molar density of introduced species. Molar densities, unlike compositions, include compressibility effects. The temporal evolution of these measures shows that, while transport at the small-scale (cm) is described by the classical advection-diffusion-dispersion relations, scaling at the macro-scale (> 10 m) shows transitions between advective, diffusive, ballistic, sub-diffusive, and non-Fickian diffusive behavior. These scaling relations can be used to improve the predictive powers of field-scale reservoir simulations that cannot resolve the complexities of unstable flow and transport at cm-m scales.

A generalized volumetric dispersion model for a class of two-phase separation/reaction: finite difference solutions

NASA Astrophysics Data System (ADS)

Siripatana, Chairat; Thongpan, Hathaikarn; Promraksa, Arwut

2017-03-01

This article explores a volumetric approach in formulating differential equations for a class of engineering flow problems involving component transfer within or between two phases. In contrast to conventional formulation which is based on linear velocities, this work proposed a slightly different approach based on volumetric flow-rate which is essentially constant in many industrial processes. In effect, many multi-dimensional flow problems found industrially can be simplified into multi-component or multi-phase but one-dimensional flow problems. The formulation is largely generic, covering counter-current, concurrent or batch, fixed and fluidized bed arrangement. It was also intended to use for start-up, shut-down, control and steady state simulation. Since many realistic and industrial operation are dynamic with variable velocity and porosity in relation to position, analytical solutions are rare and limited to only very simple cases. Thus we also provide a numerical solution using Crank-Nicolson finite difference scheme. This solution is inherently stable as tested against a few cases published in the literature. However, it is anticipated that, for unconfined flow or non-constant flow-rate, traditional formulation should be applied.

Fate of sessile droplet chemical agents in environmental substrates in the presence of physiochemical processes

NASA Astrophysics Data System (ADS)

Navaz, H. K.; Dang, A. L.; Atkinson, T.; Zand, A.; Nowakowski, A.; Kamensky, K.

2014-05-01

A general-purpose multi-phase and multi-component computer model capable of solving the complex problems encountered in the agent substrate interaction is developed. The model solves the transient and time-accurate mass and momentum governing equations in a three dimensional space. The provisions for considering all the inter-phase activities (solidification, evaporation, condensation, etc.) are included in the model. The chemical reactions among all phases are allowed and the products of the existing chemical reactions in all three phases are possible. The impact of chemical reaction products on the transport properties in porous media such as porosity, capillary pressure, and permeability is considered. Numerous validations for simulants, agents, and pesticides with laboratory and open air data are presented. Results for chemical reactions in the presence of pre-existing water in porous materials such as moisture, or separated agent and water droplets on porous substrates are presented. The model will greatly enhance the capabilities in predicting the level of threat after any chemical such as Toxic Industrial Chemicals (TICs) and Toxic Industrial Materials (TIMs) release on environmental substrates. The model's generality makes it suitable for both defense and pharmaceutical applications.

Field-Integrated Studies of Long-Term Sustainability of Chromium Bioreduction at Hanford 100H Site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Philip E.

2006-06-01

The objectives of the project are to investigate coupled hydraulic, geochemical, and microbial conditions, and to determine the critical biogeochemical parameters necessary to maximize the extent of Cr(VI) bioreduction and minimize Cr(III) reoxidation in groundwater. Specific goals of the project are as follows: (1) Field testing and monitoring of Cr(VI) bioreduction in ground water and its transformation into insoluble species of Cr(III) at the Hanford 100H site, to develop the optimal strategy of water sampling for chemical, microbial, stable isotope analyses, and noninvasive geophysical monitoring; (2) Bench-scale flow and transport investigations using columns of undisturbed sediments to obtain diffusion andmore » kinetic parameters needed for the development of a numerical model, predictions of Cr(VI) bioreduction, and potential of Cr(III) reoxidation; and (3) Development of a multiphase, multi-component 3D reactive transport model and a code, TOUGHREACT-BIO, to predict coupled biogeochemical-hydrological processes associated with bioremediation, and to calibrate and validate the developed code based on the results of bench-scale and field-scale Cr(VI) biostimulation experiments in ground water at the Hanford Site.« less

Development of cost-effective surfactant flooding technology. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pope, G.A.; Sepehrnoori, K.

1996-11-01

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

Multiphase flow modeling and simulation of explosive volcanic eruptions

NASA Astrophysics Data System (ADS)

Neri, Augusto

Recent worldwide volcanic activity, such as eruptions at Mt. St. Helens, Washington, in 1980, Mt. Pinatubo, Philippines, in 1991, as well as the ongoing eruption at Montserrat, West Indies, highlighted again the complex nature of explosive volcanic eruptions as well as the tremendous risk associated to them. In the year 2000, about 500 million people are expected to live under the shadow of an active volcano. The understanding of pyroclastic dispersion processes produced by explosive eruptions is, therefore, of primary interest, not only from the scientific point of view, but also for the huge worldwide risk associated with them. The thesis deals with an interdisciplinary research aimed at the modeling and simulation of explosive volcanic eruptions by using multiphase thermo-fluid-dynamic models. The first part of the work was dedicated to the understanding and validation of recently developed kinetic theory of two-phase flow. The hydrodynamics of fluid catalytic cracking particles in the IIT riser were simulated and compared with lab experiments. Simulation results confirm the validity of the kinetic theory approach. Transport of solids in the riser is due to dense clusters. On a time-average basis the bottom of the riser and the walls are dense, in agreement with IIT experimental data. The low frequency of oscillation (about 0.2 Hz) is also in agreement with data. The second part of the work was devoted to the development of transient two-dimensional multiphase and multicomponent flow models of pyroclastic dispersion processes. In particular, the dynamics of ground-hugging high-speed and high-temperature pyroclastic flows generated by the collapse of volcanic columns or by impulsive discrete explosions, was investigated. The model accounts for the mechanical and thermal non-equilibrium between a multicomponent gas phase and N different solid phases representative of pyroclastic particles of different sizes. Pyroclastic dispersion dynamics describes the formation of the initial vertical jet, the column collapse, and the building of the pyroclastic fountain, followed by the generation of radially spreading pyroclastic flows. The development of thermal convective instabilities in the flow lead to the formation of co-ignimbritic or phoenix clouds. Simulation results strongly highlight the importance of the multiphase flow formulation of the mixture. Large particles tend to segregate and sediment along the ground, whereas fine particles tend to form ascending buoyant plumes. Mixtures rich in fine grained particles produce larger runout of the flow and larger ascending plumes than mixtures rich in coarse particles. Simulation results appear to be qualitatively in agreement with field observations, but require to be fully validated by the simulation of well-known test cases.

The effect of constraint on fuel-coolant interactions in a confined geometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, H.; Corradini, M.L.

A Fuel-Coolant Interaction (FCI or vapor explosion) is the phenomena in which a hot liquid rapidly transfers its internal energy into a surrounding colder and more volatile liquid. The energetics of such a complex multi-phase and multi-component phenomenon is partially determined by the surrounding boundary conditions. As one of the boundary conditions, we studied the effect of constraint on FCIs. The WFCI-D series of experiments were performed specifically to observe this effect. The results from these and our previous WFCI tests as well as those of other investigators are compared.

A Direct Numerical Simulation of a Temporally Evolving Liquid-Gas Turbulent Mixing Layer

NASA Astrophysics Data System (ADS)

Vu, Lam Xuan; Chiodi, Robert; Desjardins, Olivier

2017-11-01

Air-blast atomization occurs when streams of co-flowing high speed gas and low speed liquid shear to form drops. Air-blast atomization has numerous industrial applications from combustion engines in jets to sprays used for medical coatings. The high Reynolds number and dynamic pressure ratio of a realistic air-blast atomization case requires large eddy simulation and the use of multiphase sub-grid scale (SGS) models. A direct numerical simulations (DNS) of a temporally evolving mixing layer is presented to be used as a base case from which future multiphase SGS models can be developed. To construct the liquid-gas mixing layer, half of a channel flow from Kim et al. (JFM, 1987) is placed on top of a static liquid layer that then evolves over time. The DNS is performed using a conservative finite volume incompressible multiphase flow solver where phase tracking is handled with a discretely conservative volume of fluid method. This study presents statistics on velocity and volume fraction at different Reynolds and Weber numbers.

Long residence times of rapidly decomposable soil organic matter: application of a multi-phase, multi-component, and vertically-resolved model (TOUGHREACTv1) to soil carbon dynamics

NASA Astrophysics Data System (ADS)

Riley, W. J.; Maggi, F. M.; Kleber, M.; Torn, M. S.; Tang, J. Y.; Dwivedi, D.; Guerry, N.

2014-01-01

Accurate representation of soil organic matter (SOM) dynamics in Earth System Models is critical for future climate prediction, yet large uncertainties exist regarding how, and to what extent, the suite of proposed relevant mechanisms should be included. To investigate how various mechanisms interact to influence SOM storage and dynamics, we developed a SOM reaction network integrated in a one-dimensional, multi-phase, and multi-component reactive transport solver. The model includes representations of bacterial and fungal activity, multiple archetypal polymeric and monomeric carbon substrate groups, aqueous chemistry, aqueous advection and diffusion, gaseous diffusion, and adsorption (and protection) and desorption from the soil mineral phase. The model predictions reasonably matched observed depth-resolved SOM and dissolved organic carbon (DOC) stocks in grassland ecosystems as well as lignin content and fungi to aerobic bacteria ratios. We performed a suite of sensitivity analyses under equilibrium and dynamic conditions to examine the role of dynamic sorption, microbial assimilation rates, and carbon inputs. To our knowledge, observations do not exist to fully test such a complicated model structure or to test the hypotheses used to explain observations of substantial storage of very old SOM below the rooting depth. Nevertheless, we demonstrated that a reasonable combination of sorption parameters, microbial biomass and necromass dynamics, and advective transport can match observations without resorting to an arbitrary depth-dependent decline in SOM turnover rates, as is often done. We conclude that, contrary to assertions derived from existing turnover time based model formulations, observed carbon content and δ14C vertical profiles are consistent with a representation of SOM dynamics consisting of (1) carbon compounds without designated intrinsic turnover times, (2) vertical aqueous transport, and (3) dynamic protection on mineral surfaces.

Long residence times of rapidly decomposable soil organic matter: application of a multi-phase, multi-component, and vertically resolved model (BAMS1) to soil carbon dynamics

NASA Astrophysics Data System (ADS)

Riley, W. J.; Maggi, F.; Kleber, M.; Torn, M. S.; Tang, J. Y.; Dwivedi, D.; Guerry, N.

2014-07-01

Accurate representation of soil organic matter (SOM) dynamics in Earth system models is critical for future climate prediction, yet large uncertainties exist regarding how, and to what extent, the suite of proposed relevant mechanisms should be included. To investigate how various mechanisms interact to influence SOM storage and dynamics, we developed an SOM reaction network integrated in a one-dimensional, multi-phase, and multi-component reactive transport solver. The model includes representations of bacterial and fungal activity, multiple archetypal polymeric and monomeric carbon substrate groups, aqueous chemistry, aqueous advection and diffusion, gaseous diffusion, and adsorption (and protection) and desorption from the soil mineral phase. The model predictions reasonably matched observed depth-resolved SOM and dissolved organic matter (DOM) stocks and fluxes, lignin content, and fungi to aerobic bacteria ratios. We performed a suite of sensitivity analyses under equilibrium and dynamic conditions to examine the role of dynamic sorption, microbial assimilation rates, and carbon inputs. To our knowledge, observations do not exist to fully test such a complicated model structure or to test the hypotheses used to explain observations of substantial storage of very old SOM below the rooting depth. Nevertheless, we demonstrated that a reasonable combination of sorption parameters, microbial biomass and necromass dynamics, and advective transport can match observations without resorting to an arbitrary depth-dependent decline in SOM turnover rates, as is often done. We conclude that, contrary to assertions derived from existing turnover time based model formulations, observed carbon content and Δ14C vertical profiles are consistent with a representation of SOM consisting of carbon compounds with relatively fast reaction rates, vertical aqueous transport, and dynamic protection on mineral surfaces.

Extension of lattice Boltzmann flux solver for simulation of compressible multi-component flows

NASA Astrophysics Data System (ADS)

Yang, Li-Ming; Shu, Chang; Yang, Wen-Ming; Wang, Yan

2018-05-01

The lattice Boltzmann flux solver (LBFS), which was presented by Shu and his coworkers for solving compressible fluid flow problems, is extended to simulate compressible multi-component flows in this work. To solve the two-phase gas-liquid problems, the model equations with stiffened gas equation of state are adopted. In this model, two additional non-conservative equations are introduced to represent the material interfaces, apart from the classical Euler equations. We first convert the interface equations into the full conservative form by applying the mass equation. After that, we calculate the numerical fluxes of the classical Euler equations by the existing LBFS and the numerical fluxes of the interface equations by the passive scalar approach. Once all the numerical fluxes at the cell interface are obtained, the conservative variables at cell centers can be updated by marching the equations in time and the material interfaces can be identified via the distributions of the additional variables. The numerical accuracy and stability of present scheme are validated by its application to several compressible multi-component fluid flow problems.

THC-MP: High performance numerical simulation of reactive transport and multiphase flow in porous media

NASA Astrophysics Data System (ADS)

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.

Reservoir simulation with the cubic plus (cross-) association equation of state for water, CO2, hydrocarbons, and tracers

NASA Astrophysics Data System (ADS)

Moortgat, Joachim

2018-04-01

This work presents an efficient reservoir simulation framework for multicomponent, multiphase, compressible flow, based on the cubic-plus-association (CPA) equation of state (EOS). CPA is an accurate EOS for mixtures that contain non-polar hydrocarbons, self-associating polar water, and cross-associating molecules like methane, ethane, unsaturated hydrocarbons, CO2, and H2S. While CPA is accurate, its mathematical formulation is highly non-linear, resulting in excessive computational costs that have made the EOS unfeasible for large scale reservoir simulations. This work presents algorithms that overcome these bottlenecks and achieve an efficiency comparable to the much simpler cubic EOS approach. The main applications that require such accurate phase behavior modeling are 1) the study of methane leakage from high-pressure production wells and its potential impact on groundwater resources, 2) modeling of geological CO2 sequestration in brine aquifers when one is interested in more than the CO2 and H2O components, e.g. methane, other light hydrocarbons, and various tracers, and 3) enhanced oil recovery by CO2 injection in reservoirs that have previously been waterflooded or contain connate water. We present numerical examples of all those scenarios, extensive validation of the CPA EOS with experimental data, and analyses of the efficiency of our proposed numerical schemes. The accuracy, efficiency, and robustness of the presented phase split computations pave the way to more widespread adoption of CPA in reservoir simulators.

A Mathematical Model for the Multiphase Transport and Reaction Kinetics in a Ladle with Bottom Powder Injection

NASA Astrophysics Data System (ADS)

Lou, Wentao; Zhu, Miaoyong

2017-12-01

A computation fluid dynamics-population balance model-simultaneous reaction model (CFD-PBM-SRM) coupled model has been proposed to study the multiphase flow behavior and refining reaction kinetics in a ladle with bottom powder injection, and some new and important phenomena and mechanisms are presented. For the multiphase flow behavior, the effects of bubbly plume flow, powder particle motion, particle-particle collision and growth, particle-bubble collision and adhesion, and powder particle removal into top slag are considered. For the reaction kinetics, the mechanisms of multicomponent simultaneous reactions, including Al, S, Si, Mn, Fe, and O, at the multi-interface, including top slag-liquid steel interface, air-liquid steel interface, powder droplet-liquid steel interface, and bubble-liquid steel interface, are presented, and the effect of sulfur solubility in the powder droplet on the desulfurization is also taken into account. Model validation is carried out using hot tests in a 2-t induction furnace with bottom powder injection. The result shows that the powder particles gradually disperse in the entire furnace; in the vicinity of the bottom slot plugs, the desulfurization product CaS is liquid phase, while in the upper region of the furnace, the desulfurization product CaS is solid phase. The predicted sulfur contents by the present model agree well with the measured data in the 2-t furnace with bottom powder injection.

The Classification Accuracy of the Minnesota Multiphasic Personality Inventory--Adolescent: Effects of Modifying the Normative Sample

ERIC Educational Resources Information Center

Hand, Cynthia G.; Archer, Robert P.; Handel, Richard W.; Forbey, Johnathan D.

2007-01-01

Numerous studies have reported that the Minnesota Multiphasic Personality Inventory-Adolescent (MMPI-A) produces a high frequency of within-normal-limits basic scale profiles for adolescents with significant clinical pathology (e.g., Archer, 2005). The current study builds on the observation that the MMPI-A normative sample included participants…

Optimal Power Flow in Multiphase Radial Networks with Delta Connections: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Changhong; Dall-Anese, Emiliano; Low, Steven H.

This paper focuses on multiphase radial distribution networks with mixed wye and delta connections, and proposes a semidefinite relaxation of the AC optimal power flow (OPF) problem. Two multiphase power-flow models are developed to facilitate the integration of delta-connected generation units/loads in the OPF problem. The first model extends traditional branch flow models - and it is referred to as extended branch flow model (EBFM). The second model leverages a linear relationship between per-phase power injections and delta connections, which holds under a balanced voltage approximation (BVA). Based on these models, pertinent OPF problems are formulated and relaxed to semidefinitemore » programs (SDPs). Numerical studies on IEEE test feeders show that SDP relaxations can be solved efficiently by a generic optimization solver. Numerical evidences indicate that solving the resultant SDP under BVA is faster than under EBFM. Moreover, both SDP solutions are numerically exact with respect to voltages and branch flows. It is also shown that the SDP solution under BVA has a small optimality gap, while the BVA model is accurate in the sense that it reflects actual system voltages.« less

A finite-volume HLLC-based scheme for compressible interfacial flows with surface tension

NASA Astrophysics Data System (ADS)

Garrick, Daniel P.; Owkes, Mark; Regele, Jonathan D.

2017-06-01

Shock waves are often used in experiments to create a shear flow across liquid droplets to study secondary atomization. Similar behavior occurs inside of supersonic combustors (scramjets) under startup conditions, but it is challenging to study these conditions experimentally. In order to investigate this phenomenon further, a numerical approach is developed to simulate compressible multiphase flows under the effects of surface tension forces. The flow field is solved via the compressible multicomponent Euler equations (i.e., the five equation model) discretized with the finite volume method on a uniform Cartesian grid. The solver utilizes a total variation diminishing (TVD) third-order Runge-Kutta method for time-marching and second order TVD spatial reconstruction. Surface tension is incorporated using the Continuum Surface Force (CSF) model. Fluxes are upwinded with a modified Harten-Lax-van Leer Contact (HLLC) approximate Riemann solver. An interface compression scheme is employed to counter numerical diffusion of the interface. The present work includes modifications to both the HLLC solver and the interface compression scheme to account for capillary force terms and the associated pressure jump across the gas-liquid interface. A simple method for numerically computing the interface curvature is developed and an acoustic scaling of the surface tension coefficient is proposed for the non-dimensionalization of the model. The model captures the surface tension induced pressure jump exactly if the exact curvature is known and is further verified with an oscillating elliptical droplet and Mach 1.47 and 3 shock-droplet interaction problems. The general characteristics of secondary atomization at a range of Weber numbers are also captured in a series of simulations.

A finite-volume HLLC-based scheme for compressible interfacial flows with surface tension

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garrick, Daniel P.; Owkes, Mark; Regele, Jonathan D., E-mail: jregele@iastate.edu

Shock waves are often used in experiments to create a shear flow across liquid droplets to study secondary atomization. Similar behavior occurs inside of supersonic combustors (scramjets) under startup conditions, but it is challenging to study these conditions experimentally. In order to investigate this phenomenon further, a numerical approach is developed to simulate compressible multiphase flows under the effects of surface tension forces. The flow field is solved via the compressible multicomponent Euler equations (i.e., the five equation model) discretized with the finite volume method on a uniform Cartesian grid. The solver utilizes a total variation diminishing (TVD) third-order Runge–Kuttamore » method for time-marching and second order TVD spatial reconstruction. Surface tension is incorporated using the Continuum Surface Force (CSF) model. Fluxes are upwinded with a modified Harten–Lax–van Leer Contact (HLLC) approximate Riemann solver. An interface compression scheme is employed to counter numerical diffusion of the interface. The present work includes modifications to both the HLLC solver and the interface compression scheme to account for capillary force terms and the associated pressure jump across the gas–liquid interface. A simple method for numerically computing the interface curvature is developed and an acoustic scaling of the surface tension coefficient is proposed for the non-dimensionalization of the model. The model captures the surface tension induced pressure jump exactly if the exact curvature is known and is further verified with an oscillating elliptical droplet and Mach 1.47 and 3 shock-droplet interaction problems. The general characteristics of secondary atomization at a range of Weber numbers are also captured in a series of simulations.« less

Evaluation of the phase properties of hydrating cement composite using simulated nanoindentation technique

NASA Astrophysics Data System (ADS)

Gautham, S.; Sindu, B. S.; Sasmal, Saptarshi

2017-10-01

Properties and distribution of the products formed during the hydration of cementitious composite at the microlevel are investigated using a nanoindentation technique. First, numerical nanoindentation using nonlinear contact mechanics is carried out on three different phase compositions of cement paste, viz. mono-phase Tri-calcium Silicate (C3S), Di-calcium Silicate (C2S) and Calcium-Silicate-Hydrate (CSH) individually), bi-phase (C3S-CSH, C2S-CSH) and multi-phase (more than 10 individual phases including water pores). To reflect the multi-phase characteristics of hydrating cement composite, a discretized multi-phase microstructural model of cement composite during the progression of hydration is developed. Further, a grid indentation technique for simulated nanoindentation is established, and employed to evaluate the mechanical characteristics of the hydrated multi-phase cement paste. The properties obtained from the numerical studies are compared with those obtained from experimental grid nanoindentation. The influence of composition and distribution of individual phase properties on the properties obtained from indentation are closely investigated. The study paves the way to establishing the procedure for simulated grid nanoindentation to evaluate the mechanical properties of heterogeneous composites, and facilitates the design of experimental nanoindentation.

A separate phase drag model and a surrogate approximation for simulation of the steam assisted gravity drainage (SAGD) process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Padrino-Inciarte, Juan Carlos; Ma, Xia; VanderHeyden, W. Brian

General ensemble phase averaged equations for multiphase flows have been specialized for the simulation of the steam assisted gravity drainage (SAGD) process. In the average momentum equation, fluid-solid and fluid-fluid viscous interactions are represented by separate force terms. This equation has a form similar to that of Darcy’s law for multiphase flow but augmented by the fluid-fluid viscous forces. Models for these fluid-fluid interactions are suggested and implemented into the numerical code CartaBlanca. Numerical results indicate that the model captures the main features of the multiphase flow in the SAGD process, but the detailed features, such as plumes are missed.more » We find that viscous coupling among the fluid phases is important. Advection time scales for the different fluids differ by several orders of magnitude because of vast viscosity differences. Numerically resolving all of these time scales is time consuming. To address this problem, we introduce a steam surrogate approximation to increase the steam advection time scale, while keeping the mass and energy fluxes well approximated. This approximation leads to about a 40-fold speed-up in execution speed of the numerical calculations at the cost of a few percent error in the relevant quantities.« less

A separate phase drag model and a surrogate approximation for simulation of the steam assisted gravity drainage (SAGD) process

DOE PAGES

Padrino-Inciarte, Juan Carlos; Ma, Xia; VanderHeyden, W. Brian; ...

2016-01-01

General ensemble phase averaged equations for multiphase flows have been specialized for the simulation of the steam assisted gravity drainage (SAGD) process. In the average momentum equation, fluid-solid and fluid-fluid viscous interactions are represented by separate force terms. This equation has a form similar to that of Darcy’s law for multiphase flow but augmented by the fluid-fluid viscous forces. Models for these fluid-fluid interactions are suggested and implemented into the numerical code CartaBlanca. Numerical results indicate that the model captures the main features of the multiphase flow in the SAGD process, but the detailed features, such as plumes are missed.more » We find that viscous coupling among the fluid phases is important. Advection time scales for the different fluids differ by several orders of magnitude because of vast viscosity differences. Numerically resolving all of these time scales is time consuming. To address this problem, we introduce a steam surrogate approximation to increase the steam advection time scale, while keeping the mass and energy fluxes well approximated. This approximation leads to about a 40-fold speed-up in execution speed of the numerical calculations at the cost of a few percent error in the relevant quantities.« less

DEVELOPMENT OF AN IMPROVED SIMULATOR FOR CHEMICAL AND MICROBIAL IOR METHODS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gary A. Pope; Kamy Sepehrnoori; Mojdeh Delshad

2001-10-01

This is the final report of a three-year research project on further development of a chemical and microbial improved oil recovery reservoir simulator. The objective of this research was to extend the capability of an existing simulator (UTCHEM) to improved oil recovery methods which use surfactants, polymers, gels, alkaline chemicals, microorganisms and foam as well as various combinations of these in both conventional and naturally fractured oil reservoirs. The first task was the addition of a dual-porosity model for chemical IOR in naturally fractured oil reservoirs. They formulated and implemented a multiphase, multicomponent dual porosity model for enhanced oil recoverymore » from naturally fractured reservoirs. The multiphase dual porosity model was tested against analytical solutions, coreflood data, and commercial simulators. The second task was the addition of a foam model. They implemented a semi-empirical surfactant/foam model in UTCHEM and validated the foam model by comparison with published laboratory data. The third task addressed several numerical and coding enhancements that will greatly improve its versatility and performance. Major enhancements were made in UTCHEM output files and memory management. A graphical user interface to set up the simulation input and to process the output data on a Windows PC was developed. New solvers for solving the pressure equation and geochemical system of equations were implemented and tested. A corner point grid geometry option for gridding complex reservoirs was implemented and tested. Enhancements of physical property models for both chemical and microbial IOR simulations were included in the final task of this proposal. Additional options for calculating the physical properties such as relative permeability and capillary pressure were added. A microbiological population model was developed and incorporated into UTCHEM. They have applied the model to microbial enhanced oil recovery (MEOR) processes by including the capability of permeability reduction due to biomass growth and retention. The formations of bio-products such as surfactant and polymer surfactant have also been incorporated.« less

Convex Relaxation of OPF in Multiphase Radial Networks with Wye and Delta Connections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Changhong; Dall-Anese, Emiliano; Low, Steven

2017-08-01

This panel presentation focuses on multiphase radial distribution networks with wye and delta connections, and proposes a semidefinite relaxation of the AC optimal power flow (OPF) problem. Two multiphase power flow models are developed to facilitate the integration of delta-connected loads or generation resources in the OPF problem. The first model is referred to as the extended branch flow model (EBFM). The second model leverages a linear relationship between phase-to-ground power injections and delta connections that holds under a balanced voltage approximation (BVA). Based on these models, pertinent OPF problems are formulated and relaxed to semidefinite programs (SDPs). Numerical studiesmore » on IEEE test feeders show that the proposed SDP relaxations can be solved efficiently by a generic optimization solver. Numerical evidence also indicates that solving the resultant SDP under BVA is faster than under EBFM. Moreover, both SDP solutions are numerically exact with respect to voltages and branch flows. It is further shown that the SDP solution under BVA has a small optimality gap, and the BVA model is accurate in the sense that it reproduces actual system voltages.« less

Numerical Simulation of Dynamic Contact Angles and Contact Lines in Multiphase Flows using Level Set Method

NASA Astrophysics Data System (ADS)

Pendota, Premchand

Many physical phenomena and industrial applications involve multiphase fluid flows and hence it is of high importance to be able to simulate various aspects of these flows accurately. The Dynamic Contact Angles (DCA) and the contact lines at the wall boundaries are a couple of such important aspects. In the past few decades, many mathematical models were developed for predicting the contact angles of the inter-face with the wall boundary under various flow conditions. These models are used to incorporate the physics of DCA and contact line motion in numerical simulations using various interface capturing/tracking techniques. In the current thesis, a simple approach to incorporate the static and dynamic contact angle boundary conditions using the level set method is developed and implemented in multiphase CFD codes, LIT (Level set Interface Tracking) (Herrmann (2008)) and NGA (flow solver) (Desjardins et al (2008)). Various DCA models and associated boundary conditions are reviewed. In addition, numerical aspects such as the occurrence of a stress singularity at the contact lines and grid convergence of macroscopic interface shape are dealt with in the context of the level set approach.

CFD-DEM based numerical simulation of liquid-gas-particle mixture flow in dam break

NASA Astrophysics Data System (ADS)

Park, Kyung Min; Yoon, Hyun Sik; Kim, Min Il

2018-06-01

This study investigates the multiphase flow of a liquid-gas-particle mixture in dam break. The open source codes, OpenFOAM and CFDEMproject, were used to reproduce the multiphase flow. The results of the present study are compared with those of previous results obtained by numerical and experimental methods, which guarantees validity of present numerical method to handle the multiphase flow. The particle density ranging from 1100 to 2500 kg/m3 is considered to investigate the effect of the particle density on the behavior of the free-surface and the particles. The particle density has no effect on the liquid front, but it makes the particle front move with different velocity. The time when the liquid front reach at the opposite wall is independent of particle density. However, such time for particle front decrease as particle density increases, which turned out to be proportional to particle density. Based on these results, we classified characteristics of the movement by the front positions of the liquid and the particles. Eventually, the response of the free-surface and particles to particle density is identified by three motion regimes of the advancing, overlapping and delaying motions.

A mass-conserving multiphase lattice Boltzmann model for simulation of multiphase flows

NASA Astrophysics Data System (ADS)

Niu, Xiao-Dong; Li, You; Ma, Yi-Ren; Chen, Mu-Feng; Li, Xiang; Li, Qiao-Zhong

2018-01-01

In this study, a mass-conserving multiphase lattice Boltzmann (LB) model is proposed for simulating the multiphase flows. The proposed model developed in the present study is to improve the model of Shao et al. ["Free-energy-based lattice Boltzmann model for simulation of multiphase flows with density contrast," Phys. Rev. E 89, 033309 (2014)] by introducing a mass correction term in the lattice Boltzmann model for the interface. The model of Shao et al. [(the improved Zheng-Shu-Chew (Z-S-C model)] correctly considers the effect of the local density variation in momentum equation and has an obvious improvement over the Zheng-Shu-Chew (Z-S-C) model ["A lattice Boltzmann model for multiphase flows with large density ratio," J. Comput. Phys. 218(1), 353-371 (2006)] in terms of solution accuracy. However, due to the physical diffusion and numerical dissipation, the total mass of each fluid phase cannot be conserved correctly. To solve this problem, a mass correction term, which is similar to the one proposed by Wang et al. ["A mass-conserved diffuse interface method and its application for incompressible multiphase flows with large density ratio," J. Comput. Phys. 290, 336-351 (2015)], is introduced into the lattice Boltzmann equation for the interface to compensate the mass losses or offset the mass increase. Meanwhile, to implement the wetting boundary condition and the contact angle, a geometric formulation and a local force are incorporated into the present mass-conserving LB model. The proposed model is validated by verifying the Laplace law, simulating both one and two aligned droplets splashing onto a liquid film, droplets standing on an ideal wall, droplets with different wettability splashing onto smooth wax, and bubbles rising under buoyancy. Numerical results show that the proposed model can correctly simulate multiphase flows. It was found that the mass is well-conserved in all cases considered by the model developed in the present study. The developed model has been found to perform better than the improved Z-S-C model in this aspect.

A Numerical Study of Mesh Adaptivity in Multiphase Flows with Non-Newtonian Fluids

NASA Astrophysics Data System (ADS)

Percival, James; Pavlidis, Dimitrios; Xie, Zhihua; Alberini, Federico; Simmons, Mark; Pain, Christopher; Matar, Omar

2014-11-01

We present an investigation into the computational efficiency benefits of dynamic mesh adaptivity in the numerical simulation of transient multiphase fluid flow problems involving Non-Newtonian fluids. Such fluids appear in a range of industrial applications, from printing inks to toothpastes and introduce new challenges for mesh adaptivity due to the additional ``memory'' of viscoelastic fluids. Nevertheless, the multiscale nature of these flows implies huge potential benefits for a successful implementation. The study is performed using the open source package Fluidity, which couples an unstructured mesh control volume finite element solver for the multiphase Navier-Stokes equations to a dynamic anisotropic mesh adaptivity algorithm, based on estimated solution interpolation error criteria, and conservative mesh-to-mesh interpolation routine. The code is applied to problems involving rheologies ranging from simple Newtonian to shear-thinning to viscoelastic materials and verified against experimental data for various industrial and microfluidic flows. This work was undertaken as part of the EPSRC MEMPHIS programme grant EP/K003976/1.

Direct numerical simulation of incompressible multiphase flow with phase change

NASA Astrophysics Data System (ADS)

Lee, Moon Soo; Riaz, Amir; Aute, Vikrant

2017-09-01

Simulation of multiphase flow with phase change is challenging because of the potential for unphysical pressure oscillations, spurious velocity fields and mass flux errors across the interface. The resulting numerical errors may become critical when large density contrasts are present. To address these issues, we present a new approach for multiphase flow with phase change that features, (i) a smooth distribution of sharp velocity jumps and mass flux within a narrow region surrounding the interface, (ii) improved mass flux projection from the implicit interface onto the uniform Cartesian grid and (iii) post-advection velocity correction step to ensure accurate velocity divergence in interfacial cells. These new features are implemented in combination with a sharp treatment of the jumps in pressure and temperature gradient. A series of 1-D, 2-D, axisymmetric and 3-D problems are solved to verify the improvements afforded by the new approach. Axisymmetric film boiling results are also presented, which show good qualitative agreement with heat transfer correlations as well as experimental observations of bubble shapes.

Development of an Efficient Meso- scale Multi-phase Flow Solver in Nuclear Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Taehun

2015-10-20

The proposed research aims at formulating a predictive high-order Lattice Boltzmann Equation for multi-phase flows relevant to nuclear energy related application - namely, saturated and sub-cooled boiling in reactors, and liquid- liquid mixing and extraction for fuel cycle separation. An efficient flow solver will be developed based on the Finite Element based Lattice Boltzmann Method (FE- LBM), accounting for phase-change heat transfer and capable of treating multiple phases over length scales from the submicron to the meter. A thermal LBM will be developed in order to handle adjustable Prandtl number, arbitrary specific heat ratio, a wide range of temperature variations,more » better numerical stability during liquid-vapor phase change, and full thermo-hydrodynamic consistency. Two-phase FE-LBM will be extended to liquid–liquid–gas multi-phase flows for application to high-fidelity simulations building up from the meso-scale up to the equipment sub-component scale. While several relevant applications exist, the initial applications for demonstration of the efficient methods to be developed as part of this project include numerical investigations of Critical Heat Flux (CHF) phenomena in nuclear reactor fuel bundles, and liquid-liquid mixing and interfacial area generation for liquid-liquid separations. In addition, targeted experiments will be conducted for validation of this advanced multi-phase model.« less

Modeling and Numerical Challenges in Eulerian-Lagrangian Computations of Shock-driven Multiphase Flows

NASA Astrophysics Data System (ADS)

Diggs, Angela; Balachandar, Sivaramakrishnan

2015-06-01

The present work addresses the numerical methods required for particle-gas and particle-particle interactions in Eulerian-Lagrangian simulations of multiphase flow. Local volume fraction as seen by each particle is the quantity of foremost importance in modeling and evaluating such interactions. We consider a general multiphase flow with a distribution of particles inside a fluid flow discretized on an Eulerian grid. Particle volume fraction is needed both as a Lagrangian quantity associated with each particle and also as an Eulerian quantity associated with the flow. In Eulerian Projection (EP) methods, the volume fraction is first obtained within each cell as an Eulerian quantity and then interpolated to each particle. In Lagrangian Projection (LP) methods, the particle volume fraction is obtained at each particle and then projected onto the Eulerian grid. Traditionally, EP methods are used in multiphase flow, but sub-grid resolution can be obtained through use of LP methods. By evaluating the total error and its components we compare the performance of EP and LP methods. The standard von Neumann error analysis technique has been adapted for rigorous evaluation of rate of convergence. The methods presented can be extended to obtain accurate field representations of other Lagrangian quantities. Most importantly, we will show that such careful attention to numerical methodologies is needed in order to capture complex shock interaction with a bed of particles. Supported by U.S. Department of Defense SMART Program and the U.S. Department of Energy PSAAP-II program under Contract No. DE-NA0002378.

Numerical simulation of three-component multiphase flows at high density and viscosity ratios using lattice Boltzmann methods

NASA Astrophysics Data System (ADS)

Haghani Hassan Abadi, Reza; Fakhari, Abbas; Rahimian, Mohammad Hassan

2018-03-01

In this paper, we propose a multiphase lattice Boltzmann model for numerical simulation of ternary flows at high density and viscosity ratios free from spurious velocities. The proposed scheme, which is based on the phase-field modeling, employs the Cahn-Hilliard theory to track the interfaces among three different fluid components. Several benchmarks, such as the spreading of a liquid lens, binary droplets, and head-on collision of two droplets in binary- and ternary-fluid systems, are conducted to assess the reliability and accuracy of the model. The proposed model can successfully simulate both partial and total spreadings while reducing the parasitic currents to the machine precision.

A hybrid interface tracking - level set technique for multiphase flow with soluble surfactant

NASA Astrophysics Data System (ADS)

Shin, Seungwon; Chergui, Jalel; Juric, Damir; Kahouadji, Lyes; Matar, Omar K.; Craster, Richard V.

2018-04-01

A formulation for soluble surfactant transport in multiphase flows recently presented by Muradoglu and Tryggvason (JCP 274 (2014) 737-757) [17] is adapted to the context of the Level Contour Reconstruction Method, LCRM, (Shin et al. IJNMF 60 (2009) 753-778, [8]) which is a hybrid method that combines the advantages of the Front-tracking and Level Set methods. Particularly close attention is paid to the formulation and numerical implementation of the surface gradients of surfactant concentration and surface tension. Various benchmark tests are performed to demonstrate the accuracy of different elements of the algorithm. To verify surfactant mass conservation, values for surfactant diffusion along the interface are compared with the exact solution for the problem of uniform expansion of a sphere. The numerical implementation of the discontinuous boundary condition for the source term in the bulk concentration is compared with the approximate solution. Surface tension forces are tested for Marangoni drop translation. Our numerical results for drop deformation in simple shear are compared with experiments and results from previous simulations. All benchmarking tests compare well with existing data thus providing confidence that the adapted LCRM formulation for surfactant advection and diffusion is accurate and effective in three-dimensional multiphase flows with a structured mesh. We also demonstrate that this approach applies easily to massively parallel simulations.

Multicomponent seismic methods for characterizing gas hydrate occurrences and systems in deep-water Gulf of Mexico

USGS Publications Warehouse

Haines, Seth S.; Lee, Myung W.; Collett, Timothy S.; Hardage, Bob A.

2011-01-01

In-situ characterization and quantification of natural gas hydrate occurrences remain critical research directions, whether for energy resource, drilling hazard, or climate-related studies. Marine multicomponent seismic data provide the full seismic wavefield including partial redundancy, and provide a promising set of approaches for gas hydrate characterization. Numerous authors have demonstrated the possibilities of multicomponent data at study sites around the world. We expand on this work by investigating the utility of very densely spaced (10’s of meters) multicomponent receivers (ocean-bottom cables, OBC, or ocean-bottom seismometers, OBS) for gas hydrate studies in the Gulf of Mexico and elsewhere. Advanced processing techniques provide high-resolution compressional-wave (PP) and converted shearwave (PS) reflection images of shallow stratigraphy, as well as P-wave and S-wave velocity estimates at each receiver position. Reflection impedance estimates can help constrain velocity and density, and thus gas hydrate saturation. Further constraint on velocity can be determined through identification of the critical angle and associated phase reversal in both PP and PS wideangle data. We demonstrate these concepts with examples from OBC data from the northeast Green Canyon area and numerically simulated OBS data that are based on properties of known gas hydrate occurrences in the southeast (deeper water) Green Canyon area. These multicomponent data capabilities can provide a wealth of characterization and quantification information that is difficult to obtain with other geophysical methods.

Numerical Stimulation of Multicomponent Chromatography Using Spreadsheets.

ERIC Educational Resources Information Center

Frey, Douglas D.

1990-01-01

Illustrated is the use of spreadsheet programs for implementing finite difference numerical simulations of chromatography as an instructional tool in a separations course. Discussed are differential equations, discretization and integration, spreadsheet development, computer requirements, and typical simulation results. (CW)

Application of numerical grid generation for improved CFD analysis of multiphase screw machines

NASA Astrophysics Data System (ADS)

Rane, S.; Kovačević, A.

2017-08-01

Algebraic grid generation is widely used for discretization of the working domain of twin screw machines. Algebraic grid generation is fast and has good control over the placement of grid nodes. However, the desired qualities of grid which should be able to handle multiphase flows such as oil injection, may be difficult to achieve at times. In order to obtain fast solution of multiphase screw machines, it is important to further improve the quality and robustness of the computational grid. In this paper, a deforming grid of a twin screw machine is generated using algebraic transfinite interpolation to produce initial mesh upon which an elliptic partial differential equations (PDE) of the Poisson’s form is solved numerically to produce smooth final computational mesh. The quality of numerical cells and their distribution obtained by the differential method is greatly improved. In addition, a similar procedure was introduced to fully smoothen the transition of the partitioning rack curve between the rotors thus improving continuous movement of grid nodes and in turn improve robustness and speed of the Computational Fluid Dynamic (CFD) solver. Analysis of an oil injected twin screw compressor is presented to compare the improvements in grid quality factors in the regions of importance such as interlobe space, radial tip and the core of the rotor. The proposed method that combines algebraic and differential grid generation offer significant improvement in grid quality and robustness of numerical solution.

A hybrid formulation for the numerical simulation of condensed phase explosives

NASA Astrophysics Data System (ADS)

Michael, L.; Nikiforakis, N.

2016-07-01

In this article we present a new formulation and an associated numerical algorithm, for the simulation of combustion and transition to detonation of condensed-phase commercial- and military-grade explosives, which are confined by (or in general interacting with one or more) compliant inert materials. Examples include confined rate-stick problems and interaction of shock waves with gas cavities or solid particles in explosives. This formulation is based on an augmented Euler approach to account for the mixture of the explosive and its products, and a multi-phase diffuse interface approach to solve for the immiscible interaction between the mixture and the inert materials, so it is in essence a hybrid (augmented Euler and multi-phase) model. As such, it has many of the desirable features of the two approaches and, critically for our applications of interest, it provides the accurate recovery of temperature fields across all components. Moreover, it conveys a lot more physical information than augmented Euler, without the complexity of full multi-phase Baer-Nunziato-type models or the lack of robustness of augmented Euler models in the presence of more than two components. The model can sustain large density differences across material interfaces without the presence of spurious oscillations in velocity and pressure, and it can accommodate realistic equations of state and arbitrary (pressure- or temperature-based) reaction-rate laws. Under certain conditions, we show that the formulation reduces to well-known augmented Euler or multi-phase models, which have been extensively validated and used in practice. The full hybrid model and its reduced forms are validated against problems with exact (or independently-verified numerical) solutions and evaluated for robustness for rate-stick and shock-induced cavity collapse case-studies.

Fugacity and concentration gradients in a gravity field

NASA Technical Reports Server (NTRS)

May, C. E.

1986-01-01

Equations are reviewed which show that at equilibrium fugacity and concentration gradients can exist in gravitational fields. At equilibrium, the logarithm of the ratio of the fugacities of a species at two different locations in a gravitational field is proportional to the difference in the heights of the two locations and the molecular weight of the species. An analogous relation holds for the concentration ratios in a multicomponent system. The ratio is calculated for a variety of examples. The kinetics for the general process are derived, and the time required to approach equilibrium is calculated for several systems. The following special topics are discussed: ionic solutions, polymers, multiphase systems, hydrostatic pressure, osmotic pressure, and solubility gradients in a gravity field.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

A mesoscopic reaction rate model for shock initiation of multi-component PBX explosives.

PubMed

Liu, Y R; Duan, Z P; Zhang, Z Y; Ou, Z C; Huang, F L

2016-11-05

The primary goal of this research is to develop a three-term mesoscopic reaction rate model that consists of a hot-spot ignition, a low-pressure slow burning and a high-pressure fast reaction terms for shock initiation of multi-component Plastic Bonded Explosives (PBX). Thereinto, based on the DZK hot-spot model for a single-component PBX explosive, the hot-spot ignition term as well as its reaction rate is obtained through a "mixing rule" of the explosive components; new expressions for both the low-pressure slow burning term and the high-pressure fast reaction term are also obtained by establishing the relationships between the reaction rate of the multi-component PBX explosive and that of its explosive components, based on the low-pressure slow burning term and the high-pressure fast reaction term of a mesoscopic reaction rate model. Furthermore, for verification, the new reaction rate model is incorporated into the DYNA2D code to simulate numerically the shock initiation process of the PBXC03 and the PBXC10 multi-component PBX explosives, and the numerical results of the pressure histories at different Lagrange locations in explosive are found to be in good agreements with previous experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

Multiphase-flow numerical modeling of the 18 May 1980 lateral blast at Mount St. Helens, USA

USGS Publications Warehouse

Ongaro, T.E.; Widiwijayanti, C.; Clarke, A.B.; Voight, B.; Neri, A.

2011-01-01

Volcanic lateral blasts are among the most spectacular and devastating of natural phenomena, but their dynamics are still poorly understood. Here we investigate the best documented and most controversial blast at Mount St. Helens (Washington State, United States), on 18 May 1980. By means of three-dimensional multiphase numerical simulations we demonstrate that the blast front propagation, fi nal runout, and damage can be explained by the emplacement of an unsteady, stratifi ed pyroclastic density current, controlled by gravity and terrain morphology. Such an interpretation is quantitatively supported by large-scale observations at Mount St. Helens and will infl uence the defi nition and predictive mapping of hazards on blast-dangerous volcanoes worldwide. ?? 2011 Geological Society of America.

Shock Melting of Permafrost on Mars: Water Ice Multiphase Equation of State for Numerical Modeling and Its Testing

NASA Technical Reports Server (NTRS)

Ivanov, B. A.

2005-01-01

The presence of water/ice/brine in upper layers of Martian crust affects many processes of impact cratering. Modeling of these effects promises better understanding of Martian cratering records. We present here the new ANEOS-based multiphase equation of state for water/ice constructed for usage in hydrocodes and first numerical experiments on permafrost shock melting. Preliminary results show that due to multiple shock compression of ice inclusions in rocks the entropy jump in shocked ice is smaller than in pure ice for the same shock pressure. Hence previous estimates of ice melting during impact cratering on Mars should be re-evaluated. Additional information is included in the original extended abstract.

A two-stage adaptive stochastic collocation method on nested sparse grids for multiphase flow in randomly heterogeneous porous media

NASA Astrophysics Data System (ADS)

Liao, Qinzhuo; Zhang, Dongxiao; Tchelepi, Hamdi

2017-02-01

A new computational method is proposed for efficient uncertainty quantification of multiphase flow in porous media with stochastic permeability. For pressure estimation, it combines the dimension-adaptive stochastic collocation method on Smolyak sparse grids and the Kronrod-Patterson-Hermite nested quadrature formulas. For saturation estimation, an additional stage is developed, in which the pressure and velocity samples are first generated by the sparse grid interpolation and then substituted into the transport equation to solve for the saturation samples, to address the low regularity problem of the saturation. Numerical examples are presented for multiphase flow with stochastic permeability fields to demonstrate accuracy and efficiency of the proposed two-stage adaptive stochastic collocation method on nested sparse grids.

Modelling gas transport in the shallow subsurface in the Maguelone field experiment

NASA Astrophysics Data System (ADS)

Basirat, Farzad; Niemi, Auli; Perroud, Hervé; Lofi, Johanna; Denchik, Nataliya; Lods, Gérard; Pezard, Philippe; Sharma, Prabhakar; Fagerlund, Fritjof

2013-04-01

Developing reliable monitoring techniques to detect and characterize CO2 leakage in shallow subsurface is necessary for the safety of any GCS project. To test different monitoring techniques, shallow injection-monitoring experiment have and are being carried out at the Maguelone, along the Mediterranean lido of the Gulf of Lions, near Montpellier, France. This experimental site was developed in the context of EU FP7 project MUSTANG and is documented in Lofi et al. (2012). Gas injection experiments are being carried out and three techniques of pressure, electrical resistivity and seismic monitoring have been used to detect the nitrogen and CO2 release in the near surface environment. In the present work we use the multiphase and multicomponent TOUGH2/EOS7CA model to simulate the gaseous nitrogen and CO2 transport of the experiments carried out so far. The objective is both to gain understanding of the system performance based on the model analysis as well as to further develop and validate modelling approaches for gas transport in the shallow subsurface, against the well-controlled data sets. Numerical simulation can also be used for the prediction of experimental setup limitations. We expect the simulations to represent the breakthrough time for the different tested injection rates. Based on the hydrogeological formation data beneath the lido, we also expect the vertical heterogeneities in grain size distribution create an effective capillary barrier against upward gas transport in numerical simulations. Lofi J., Pezard P.A., Bouchette F., Raynal O., Sabatier P., Denchik N., Levannier A., Dezileau L., and Certain R. Integrated onshore-offshore geophysical investigation of a layered coastal aquifer, NW Mediterranean. Ground Water, (2012).

Presenting Numerical Modelling of Explosive Volcanic Eruption to a General Public

NASA Astrophysics Data System (ADS)

Demaria, C.; Todesco, M.; Neri, A.; Blasi, G.

2001-12-01

Numerical modeling of explosive volcanic eruptions has been widely applied, during the last decades, to study pyroclastic flows dispersion along volcano's flanks and to evaluate their impact on urban areas. Results from these transient multi-phase and multi-component simulations are often reproduced in form of computer animations, representing the spatial and temporal evolution of relevant flow variables (such as temperature, or particle concentration). Despite being a sophisticated, technical tool to analyze and share modeling results within the scientific community, these animations truly look like colorful cartoons showing an erupting volcano and are especially suited to be shown to a general public. Thanks to their particular appeal, and to the large interest usually risen by exploding volcanoes, these animations have been presented several times on television and magazines and are currently displayed in a permanent exposition, at the Vesuvius Observatory in Naples. This work represents an effort to produce an accompanying tool for these animations, capable of explaining to a large audience the scientific meaning of what can otherwise look as a graphical exercise. Dealing with research aimed at the study of dangerous, explosive volcanoes, improving the general understanding of these scientific results plays an important role as far as risk perception is concerned. An educated population has better chances to follow an appropriate behavior, i.e.: one that could lead, on the long period, to a reduction of the potential risk. In this sense, a correct divulgation of scientific results, while improving the confidence of the population in the scientific community, should belong to the strategies adopted to mitigate volcanic risk. Due to the relevance of the long term final goal of such divulgation experiment, this work represents an interdisciplinary effort, combining scientific expertise and specific competence from the modern communication science and risk perception studies.

PFLOTRAN Verification: Development of a Testing Suite to Ensure Software Quality

NASA Astrophysics Data System (ADS)

Hammond, G. E.; Frederick, J. M.

2016-12-01

In scientific computing, code verification ensures the reliability and numerical accuracy of a model simulation by comparing the simulation results to experimental data or known analytical solutions. The model is typically defined by a set of partial differential equations with initial and boundary conditions, and verification ensures whether the mathematical model is solved correctly by the software. Code verification is especially important if the software is used to model high-consequence systems which cannot be physically tested in a fully representative environment [Oberkampf and Trucano (2007)]. Justified confidence in a particular computational tool requires clarity in the exercised physics and transparency in its verification process with proper documentation. We present a quality assurance (QA) testing suite developed by Sandia National Laboratories that performs code verification for PFLOTRAN, an open source, massively-parallel subsurface simulator. PFLOTRAN solves systems of generally nonlinear partial differential equations describing multiphase, multicomponent and multiscale reactive flow and transport processes in porous media. PFLOTRAN's QA test suite compares the numerical solutions of benchmark problems in heat and mass transport against known, closed-form, analytical solutions, including documentation of the exercised physical process models implemented in each PFLOTRAN benchmark simulation. The QA test suite development strives to follow the recommendations given by Oberkampf and Trucano (2007), which describes four essential elements in high-quality verification benchmark construction: (1) conceptual description, (2) mathematical description, (3) accuracy assessment, and (4) additional documentation and user information. Several QA tests within the suite will be presented, including details of the benchmark problems and their closed-form analytical solutions, implementation of benchmark problems in PFLOTRAN simulations, and the criteria used to assess PFLOTRAN's performance in the code verification procedure. References Oberkampf, W. L., and T. G. Trucano (2007), Verification and Validation Benchmarks, SAND2007-0853, 67 pgs., Sandia National Laboratories, Albuquerque, NM.

FOREWORD: International Symposium of Cavitation and Multiphase Flow (ISCM 2014)

NASA Astrophysics Data System (ADS)

Wu, Yulin

2015-01-01

The International Symposium on Cavitation and Multiphase Flow (ISCM 2014) was held in Beijing, China during 18th-21st October, 2014, which was jointly organized by Tsinghua University, Beijing, China and Jiangsu University, Zhenjiang, China. The co-organizer was the State Key Laboratory of Hydroscience and Engineering, Beijing, China. Cavitation and multiphase flow is one of paramount topics of fluid mechanics with many engineering applications covering a broad range of topics, e.g. hydraulic machinery, biomedical engineering, chemical and process industry. In order to improve the performances of engineering facilities (e.g. hydraulic turbines) and to accelerate the development of techniques for medical treatment of serious diseases (e.g. tumors), it is essential to improve our understanding of cavitation and Multiphase Flow. For example, the present development towards the advanced hydrodynamic systems (e.g. space engine, propeller, hydraulic machinery system) often requires that the systems run under cavitating conditions and the risk of cavitation erosion needs to be controlled. The purpose of the ISCM 2014 was to discuss the state-of-the-art cavitation and multiphase flow research and their up-to-date applications, and to foster discussion and exchange of knowledge, and to provide an opportunity for the researchers, engineers and graduate students to report their latest outputs in these fields. Furthermore, the participants were also encouraged to present their work in progress with short lead time and discuss the encountered problems. ISCM 2014 covers all aspects of cavitation and Multiphase Flow, e.g. both fundamental and applied research with a focus on physical insights, numerical modelling and applications in engineering. Some specific topics are: Cavitating and Multiphase Flow in hydroturbines, pumps, propellers etc. Numerical simulation techniques Cavitation and multiphase flow erosion and anti-erosion techniques Measurement techniques for cavitation and multiphase flow detection Fluid-structure interaction induced by cavitation and multiphase flow Multi-scale modelling of cavitating flows and Multiphase Flow Cavitation nuclei: theory and experiments Supercavitation and its applications Synergetic effects of cavitation and silt-laden erosion Shock waves and microjets generated by cavitation Nonlinear oscillations of gas and vapour bubbles Fundamentals of physics of acoustic cavitation Sonochemistry and sonoluminescence Biomedical applications of cavitation effects Ultrasonic cavitation for molten metal treatment Cavitation for enhanced heat transfer The ISCM 2014 brought together 95 scientists, researchers and graduate students from 11 countries, affiliated with universities, technology centers and industrial firms to debate topics related to advanced technologies for cavitation and Multiphase Flow, which would enhance the sustainable development of cavitation and Multiphase Flow in interdisciplinary sciences and technology. The technical committee selected 54 technical papers on the following topics: (i) Hydrodynamic Cavitation, (ii) Super Cavitation, (iii) Pump Cavitation, (iv) Acoustic Cavitation, (v) Interdisciplinary Research of Cavitation and Multi-Phase Flows, and 13 invited plenary and invited forum lectures, which were presented at the symposium, to be included in the proceedings. All the papers of ISCM 2014, which are published in this Volume of IOP Conference Series: Materials Science and Engineering, had been peer reviewed through processes administered by the editors of the ISCM 2014, those are Yulin WU, Shouqi YUAN, Zhengwei WANG, Shuhong LIU, Xingqi LUO, Fujun WANG and Guoyu WANG. The papers published in this Volume include 54 technical papers and 3 full length texts of the invited lectures. We sincerely hope that the International Symposium on Cavitation and Multiphase Flow is a significant step forward in the world wide efforts to address the present challenges in the modern science and technology. Professor Yulin WU Chairman of the Local Organizing Committee International Symposium on Cavitation and Multiphase Flow (ISCM 2014) October, 2014

Use of the Fracture Continuum Model for Numerical Modeling of Flow and Transport of Deep Geologic Disposal of Nuclear Waste in Crystalline Rock

NASA Astrophysics Data System (ADS)

Hadgu, T.; Kalinina, E.; Klise, K. A.; Wang, Y.

2015-12-01

Numerical modeling of disposal of nuclear waste in a deep geologic repository in fractured crystalline rock requires robust characterization of fractures. Various methods for fracture representation in granitic rocks exist. In this study we used the fracture continuum model (FCM) to characterize fractured rock for use in the simulation of flow and transport in the far field of a generic nuclear waste repository located at 500 m depth. The FCM approach is a stochastic method that maps the permeability of discrete fractures onto a regular grid. The method generates permeability fields using field observations of fracture sets. The original method described in McKenna and Reeves (2005) was designed for vertical fractures. The method has since then been extended to incorporate fully three-dimensional representations of anisotropic permeability, multiple independent fracture sets, and arbitrary fracture dips and orientations, and spatial correlation (Kalinina et al. 20012, 2014). For this study the numerical code PFLOTRAN (Lichtner et al., 2015) has been used to model flow and transport. PFLOTRAN solves a system of generally nonlinear partial differential equations describing multiphase, 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). Benchmark tests were conducted to simulate flow and transport in a specified model domain. Distributions of fracture parameters were used to generate a selected number of realizations. For each realization, the FCM method was used to generate a permeability field of the fractured rock. The PFLOTRAN code was then used to simulate flow and transport in the domain. Simulation results and analysis are presented. The results indicate that the FCM approach is a viable method to model fractured crystalline rocks. The FCM is a computationally efficient way to generate realistic representation of complex fracture systems. This approach is of interest for nuclear waste disposal models applied over large domains.

Numerical analysis of multicomponent responses of surface-hole transient electromagnetic method

NASA Astrophysics Data System (ADS)

Meng, Qing-Xin; Hu, Xiang-Yun; Pan, He-Ping; Zhou, Feng

2017-03-01

We calculate the multicomponent responses of surface-hole transient electromagnetic method. The methods and models are unsuitable as geoelectric models of conductive surrounding rocks because they are based on regular local targets. We also propose a calculation and analysis scheme based on numerical simulations of the subsurface transient electromagnetic fields. In the modeling of the electromagnetic fields, the forward modeling simulations are performed by using the finite-difference time-domain method and the discrete image method, which combines the Gaver-Stehfest inverse Laplace transform with the Prony method to solve the initial electromagnetic fields. The precision in the iterative computations is ensured by using the transmission boundary conditions. For the response analysis, we customize geoelectric models consisting of near-borehole targets and conductive wall rocks and implement forward modeling simulations. The observed electric fields are converted into induced electromotive force responses using multicomponent observation devices. By comparing the transient electric fields and multicomponent responses under different conditions, we suggest that the multicomponent-induced electromotive force responses are related to the horizontal and vertical gradient variations of the transient electric field at different times. The characteristics of the response are determined by the varying the subsurface transient electromagnetic fields, i.e., diffusion, attenuation and distortion, under different conditions as well as the electromagnetic fields at the observation positions. The calculation and analysis scheme of the response consider the surrounding rocks and the anomalous field of the local targets. It therefore can account for the geological data better than conventional transient field response analysis of local targets.

Diffusion Of Mass In Evaporating Multicomponent Drops

NASA Technical Reports Server (NTRS)

Bellan, Josette; Harstad, Kenneth G.

1992-01-01

Report summarizes study of diffusion of mass and related phenomena occurring in evaporation of dense and dilute clusters of drops of multicomponent liquids intended to represent fuels as oil, kerosene, and gasoline. Cluster represented by simplified mathematical model, including global conservation equations for entire cluster and conditions on boundary between cluster and ambient gas. Differential equations of model integrated numerically. One of series of reports by same authors discussing evaporation and combustion of sprayed liquid fuels.

From model conception to verification and validation, a global approach to multiphase Navier-Stoke models with an emphasis on volcanic explosive phenomenology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dartevelle, Sebastian

2007-10-01

Large-scale volcanic eruptions are hazardous events that cannot be described by detailed and accurate in situ measurement: hence, little to no real-time data exists to rigorously validate current computer models of these events. In addition, such phenomenology involves highly complex, nonlinear, and unsteady physical behaviors upon many spatial and time scales. As a result, volcanic explosive phenomenology is poorly understood in terms of its physics, and inadequately constrained in terms of initial, boundary, and inflow conditions. Nevertheless, code verification and validation become even more critical because more and more volcanologists use numerical data for assessment and mitigation of volcanic hazards.more » In this report, we evaluate the process of model and code development in the context of geophysical multiphase flows. We describe: (1) the conception of a theoretical, multiphase, Navier-Stokes model, (2) its implementation into a numerical code, (3) the verification of the code, and (4) the validation of such a model within the context of turbulent and underexpanded jet physics. Within the validation framework, we suggest focusing on the key physics that control the volcanic clouds—namely, momentum-driven supersonic jet and buoyancy-driven turbulent plume. For instance, we propose to compare numerical results against a set of simple and well-constrained analog experiments, which uniquely and unambiguously represent each of the key-phenomenology. Key« less

The validity of multiphase DNS initialized on the basis of single--point statistics

NASA Astrophysics Data System (ADS)

Subramaniam, Shankar

1999-11-01

A study of the point--process statistical representation of a spray reveals that single--point statistical information contained in the droplet distribution function (ddf) is related to a sequence of single surrogate--droplet pdf's, which are in general different from the physical single--droplet pdf's. The results of this study have important consequences for the initialization and evolution of direct numerical simulations (DNS) of multiphase flows, which are usually initialized on the basis of single--point statistics such as the average number density in physical space. If multiphase DNS are initialized in this way, this implies that even the initial representation contains certain implicit assumptions concerning the complete ensemble of realizations, which are invalid for general multiphase flows. Also the evolution of a DNS initialized in this manner is shown to be valid only if an as yet unproven commutation hypothesis holds true. Therefore, it is questionable to what extent DNS that are initialized in this manner constitute a direct simulation of the physical droplets.

A smoothed particle hydrodynamics framework for modelling multiphase interactions at meso-scale

NASA Astrophysics Data System (ADS)

Li, Ling; Shen, Luming; Nguyen, Giang D.; El-Zein, Abbas; Maggi, Federico

2018-01-01

A smoothed particle hydrodynamics (SPH) framework is developed for modelling multiphase interactions at meso-scale, including the liquid-solid interaction induced deformation of the solid phase. With an inter-particle force formulation that mimics the inter-atomic force in molecular dynamics, the proposed framework includes the long-range attractions between particles, and more importantly, the short-range repulsive forces to avoid particle clustering and instability problems. Three-dimensional numerical studies have been conducted to demonstrate the capabilities of the proposed framework to quantitatively replicate the surface tension of water, to model the interactions between immiscible liquids and solid, and more importantly, to simultaneously model the deformation of solid and liquid induced by the multiphase interaction. By varying inter-particle potential magnitude, the proposed SPH framework has successfully simulated various wetting properties ranging from hydrophobic to hydrophilic surfaces. The simulation results demonstrate the potential of the proposed framework to genuinely study complex multiphase interactions in wet granular media.

A Constitutive Equation Relating Composition and Microstructure to Properties in Ti-6Al-4V: As Derived Using a Novel Integrated Computational Approach

NASA Astrophysics Data System (ADS)

Ghamarian, Iman; Samimi, Peyman; Dixit, Vikas; Collins, Peter C.

2015-11-01

While it is useful to predict properties in metallic materials based upon the composition and microstructure, the complexity of real, multi-component, and multi-phase engineering alloys presents difficulties when attempting to determine constituent-based phenomenological equations. This paper applies an approach based upon the integration of three separate modeling approaches, specifically artificial neural networks, genetic algorithms, and Monte Carlo simulations to determine a mechanism-based equation for the yield strength of α+ β processed Ti-6Al-4V (all compositions in weight percent) which consists of a complex multi-phase microstructure with varying spatial and morphological distributions of the key microstructural features. Notably, this is an industrially important alloy yet an alloy for which such an equation does not exist in the published literature. The equation ultimately derived in this work not only can accurately describe the properties of the current dataset but also is consistent with the limited and dissociated information available in the literature regarding certain parameters such as intrinsic yield strength of pure hexagonal close-packed alpha titanium. In addition, this equation suggests new interesting opportunities for controlling yield strength by controlling the relative intrinsic strengths of the two phases through solid solution strengthening.

Numerical modeling of spray combustion with an advanced VOF method

NASA Technical Reports Server (NTRS)

Chen, Yen-Sen; Shang, Huan-Min; Shih, Ming-Hsin; Liaw, Paul

1995-01-01

This paper summarizes the technical development and validation of a multiphase computational fluid dynamics (CFD) numerical method using the volume-of-fluid (VOF) model and a Lagrangian tracking model which can be employed to analyze general multiphase flow problems with free surface mechanism. The gas-liquid interface mass, momentum and energy conservation relationships are modeled by continuum surface mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed flow regimes. The objectives of the present study are to develop and verify the fractional volume-of-fluid cell partitioning approach into a predictor-corrector algorithm and to demonstrate the effectiveness of the present approach by simulating benchmark problems including laminar impinging jets, shear coaxial jet atomization and shear coaxial spray combustion flows.

CFD analysis of multiphase blood flow within aorta and its thoracic branches of patient with coarctation of aorta using multiphase Euler - Euler approach

NASA Astrophysics Data System (ADS)

Ostrowski, Z.; Melka, B.; Adamczyk, W.; Rojczyk, M.; Golda, A.; Nowak, A. J.

2016-09-01

In the research a numerical Computational Fluid Dynamics (CFD) model of the pulsatile blood flow was created and analyzed. A real geometry of aorta and its thoracic branches of 8-year old patient diagnosed with a congenital heart defect - coarctation of aorta was used. The inlet boundary condition were implemented as the User Define Function according to measured values of volumetric blood flow. The blood flow was treated as multiphase: plasma, set as the primary fluid phase, was dominant with volume fraction of 0.585 and morphological elements of blood were treated in Euler-Euler approach as dispersed phases (with 90% Red Blood Cells and White Blood Cells as remaining solid volume fraction).

A two-stage adaptive stochastic collocation method on nested sparse grids for multiphase flow in randomly heterogeneous porous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liao, Qinzhuo, E-mail: liaoqz@pku.edu.cn; Zhang, Dongxiao; Tchelepi, Hamdi

A new computational method is proposed for efficient uncertainty quantification of multiphase flow in porous media with stochastic permeability. For pressure estimation, it combines the dimension-adaptive stochastic collocation method on Smolyak sparse grids and the Kronrod–Patterson–Hermite nested quadrature formulas. For saturation estimation, an additional stage is developed, in which the pressure and velocity samples are first generated by the sparse grid interpolation and then substituted into the transport equation to solve for the saturation samples, to address the low regularity problem of the saturation. Numerical examples are presented for multiphase flow with stochastic permeability fields to demonstrate accuracy and efficiencymore » of the proposed two-stage adaptive stochastic collocation method on nested sparse grids.« less

Fourier Collocation Approach With Mesh Refinement Method for Simulating Transit-Time Ultrasonic Flowmeters Under Multiphase Flow Conditions.

PubMed

Simurda, Matej; Duggen, Lars; Basse, Nils T; Lassen, Benny

2018-02-01

A numerical model for transit-time ultrasonic flowmeters operating under multiphase flow conditions previously presented by us is extended by mesh refinement and grid point redistribution. The method solves modified first-order stress-velocity equations of elastodynamics with additional terms to account for the effect of the background flow. Spatial derivatives are calculated by a Fourier collocation scheme allowing the use of the fast Fourier transform, while the time integration is realized by the explicit third-order Runge-Kutta finite-difference scheme. The method is compared against analytical solutions and experimental measurements to verify the benefit of using mapped grids. Additionally, a study of clamp-on and in-line ultrasonic flowmeters operating under multiphase flow conditions is carried out.

Dual domain material point method for multiphase flows

NASA Astrophysics Data System (ADS)

Zhang, Duan

2017-11-01

Although the particle-in-cell method was first invented in the 60's for fluid computations, one of its later versions, the material point method, is mostly used for solid calculations. Recent development of the multi-velocity formulations for multiphase flows and fluid-structure interactions requires the Lagrangian capability of the method be combined with Eulerian calculations for fluids. Because of different numerical representations of the materials, additional numerical schemes are needed to ensure continuity of the materials. New applications of the method to compute fluid motions have revealed numerical difficulties in various versions of the method. To resolve these difficulties, the dual domain material point method is introduced and improved. Unlike other particle based methods, the material point method uses both Lagrangian particles and Eulerian mesh, therefore it avoids direct communication between particles. With this unique property and the Lagrangian capability of the method, it is shown that a multiscale numerical scheme can be efficiently built based on the dual domain material point method. In this talk, the theoretical foundation of the method will be introduced. Numerical examples will be shown. Work sponsored by the next generation code project of LANL.

Impact of multi-component diffusion in turbulent combustion using direct numerical simulations

DOE PAGES

Bruno, Claudio; Sankaran, Vaidyanathan; Kolla, Hemanth; ...

2015-08-28

This study presents the results of DNS of a partially premixed turbulent syngas/air flame at atmospheric pressure. The objective was to assess the importance and possible effects of molecular transport on flame behavior and structure. To this purpose DNS were performed at with two proprietary DNS codes and with three different molecular diffusion transport models: fully multi-component, mixture averaged, and imposing the Lewis number of all species to be unity.

The use of computational thermodynamics for the determination of surface tension and Gibbs-Thomson coefficient of multicomponent alloys

NASA Astrophysics Data System (ADS)

Ferreira, D. J. S.; Bezerra, B. N.; Collyer, M. N.; Garcia, A.; Ferreira, I. L.

2018-04-01

The simulation of casting processes demands accurate information on the thermophysical properties of the alloy; however, such information is scarce in the literature for multicomponent alloys. Generally, metallic alloys applied in industry have more than three solute components. In the present study, a general solution of Butler's formulation for surface tension is presented for multicomponent alloys and is applied in quaternary Al-Cu-Si-Fe alloys, thus permitting the Gibbs-Thomson coefficient to be determined. Such coefficient is a determining factor to the reliability of predictions furnished by microstructure growth models and by numerical computations of solidification thermal parameters, which will depend on the thermophysical properties assumed in the calculations. The Gibbs-Thomson coefficient for ternary and quaternary alloys is seldom reported in the literature. A numerical model based on Powell's hybrid algorithm and a finite difference Jacobian approximation has been coupled to a Thermo-Calc TCAPI interface to assess the excess Gibbs energy of the liquid phase, permitting liquidus temperature, latent heat, alloy density, surface tension and Gibbs-Thomson coefficient for Al-Cu-Si-Fe hypoeutectic alloys to be calculated, as an example of calculation capabilities for multicomponent alloys of the proposed method. The computed results are compared with thermophysical properties of binary Al-Cu and ternary Al-Cu-Si alloys found in the literature and presented as a function of the Cu solute composition.

Hydrodynamic theory of diffusion in two-temperature multicomponent plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramshaw, J.D.; Chang, C.H.

Detailed numerical simulations of multicomponent plasmas require tractable expressions for species diffusion fluxes, which must be consistent with the given plasma current density J{sub q} to preserve local charge neutrality. The common situation in which J{sub q} = 0 is referred to as ambipolar diffusion. The use of formal kinetic theory in this context leads to results of formidable complexity. We derive simple tractable approximations for the diffusion fluxes in two-temperature multicomponent plasmas by means of a generalization of the hydrodynamical approach used by Maxwell, Stefan, Furry, and Williams. The resulting diffusion fluxes obey generalized Stefan-Maxwell equations that contain drivingmore » forces corresponding to ordinary, forced, pressure, and thermal diffusion. The ordinary diffusion fluxes are driven by gradients in pressure fractions rather than mole fractions. Simplifications due to the small electron mass are systematically exploited and lead to a general expression for the ambipolar electric field in the limit of infinite electrical conductivity. We present a self-consistent effective binary diffusion approximation for the diffusion fluxes. This approximation is well suited to numerical implementation and is currently in use in our LAVA computer code for simulating multicomponent thermal plasmas. Applications to date include a successful simulation of demixing effects in an argon-helium plasma jet, for which selected computational results are presented. Generalizations of the diffusion theory to finite electrical conductivity and nonzero magnetic field are currently in progress.« less

Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin I.

2016-01-01

This report provides an overview of the Parallel Grand Canonical Monte Carlo (ParaGrandMC) simulation code. This is a highly scalable parallel FORTRAN code for simulating the thermodynamic evolution of metal alloy systems at the atomic level, and predicting the thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces.

Self-assembly of silica microparticles in magnetic multiphase flows: Experiment and simulation

NASA Astrophysics Data System (ADS)

Li, Xiang; Niu, Xiao-Dong; Li, You; Chen, Mu-Feng

2018-04-01

Dynamic self-assembly, especially self-assembly under magnetic field, is vital not only for its marvelous phenomenon but also for its mechanisms. Revealing the underlying mechanisms is crucial for a deeper understanding of self-assembly. In this paper, several magnetic induced self-assembly experiments by using the mixed magnetic multiphase fluids comprised of silica microspheres were carried out. The relations of the strength of external magnetic field, the inverse magnetorheological effect, and the structures of self-assembled particles were investigated. In addition, a momentum-exchanged immersed boundary-based lattice Boltzmann method (MEIB-LBM) for modeling multi-physical coupling multiphase flows was employed to numerically study the magnetic induced self-assembly process in detail. The present work showed that the external magnetic field can be used to control the form of self-assembly of nonmagnetic microparticles in a chain-like structure, and the self-assembly process can be classified into four stages with magnetic hysteresis, magnetization of nonmagnetic microparticles, self-assembly in chain-like structures, and the stable chain state. The combination of experimental and numerical results could offer a method to control the self-assembled nonmagnetic microparticles, which can provide the technical and theoretical support for the design and fabrication of micro/nanomaterials.

Mixed finite element - discontinuous finite volume element discretization of a general class of multicontinuum models

NASA Astrophysics Data System (ADS)

Ruiz-Baier, Ricardo; Lunati, Ivan

2016-10-01

We present a novel discretization scheme tailored to a class of multiphase models that regard the physical system as consisting of multiple interacting continua. In the framework of mixture theory, we consider a general mathematical model that entails solving a system of mass and momentum equations for both the mixture and one of the phases. The model results in a strongly coupled and nonlinear system of partial differential equations that are written in terms of phase and mixture (barycentric) velocities, phase pressure, and saturation. We construct an accurate, robust and reliable hybrid method that combines a mixed finite element discretization of the momentum equations with a primal discontinuous finite volume-element discretization of the mass (or transport) equations. The scheme is devised for unstructured meshes and relies on mixed Brezzi-Douglas-Marini approximations of phase and total velocities, on piecewise constant elements for the approximation of phase or total pressures, as well as on a primal formulation that employs discontinuous finite volume elements defined on a dual diamond mesh to approximate scalar fields of interest (such as volume fraction, total density, saturation, etc.). As the discretization scheme is derived for a general formulation of multicontinuum physical systems, it can be readily applied to a large class of simplified multiphase models; on the other, the approach can be seen as a generalization of these models that are commonly encountered in the literature and employed when the latter are not sufficiently accurate. An extensive set of numerical test cases involving two- and three-dimensional porous media are presented to demonstrate the accuracy of the method (displaying an optimal convergence rate), the physics-preserving properties of the mixed-primal scheme, as well as the robustness of the method (which is successfully used to simulate diverse physical phenomena such as density fingering, Terzaghi's consolidation, deformation of a cantilever bracket, and Boycott effects). The applicability of the method is not limited to flow in porous media, but can also be employed to describe many other physical systems governed by a similar set of equations, including e.g. multi-component materials.

Theoretical and computational analyses of LNG evaporator

NASA Astrophysics Data System (ADS)

Chidambaram, Palani Kumar; Jo, Yang Myung; Kim, Heuy Dong

2017-04-01

Theoretical and numerical analysis on the fluid flow and heat transfer inside a LNG evaporator is conducted in this work. Methane is used instead of LNG as the operating fluid. This is because; methane constitutes over 80% of natural gas. The analytical calculations are performed using simple mass and energy balance equations. The analytical calculations are made to assess the pressure and temperature variations in the steam tube. Multiphase numerical simulations are performed by solving the governing equations (basic flow equations of continuity, momentum and energy equations) in a portion of the evaporator domain consisting of a single steam pipe. The flow equations are solved along with equations of species transport. Multiphase modeling is incorporated using VOF method. Liquid methane is the primary phase. It vaporizes into the secondary phase gaseous methane. Steam is another secondary phase which flows through the heating coils. Turbulence is modeled by a two equation turbulence model. Both the theoretical and numerical predictions are seen to match well with each other. Further parametric studies are planned based on the current research.

Non-invasive studies of multiphase flow in process equipment. Positron emission particle tracking technique

NASA Astrophysics Data System (ADS)

Balakin, B. V.; Adamsen, T. C. H.; Chang, Y.-F.; Kosinski, P.; Hoffmann, A. C.

2017-01-01

Positron emission particle tracking (PEPT) is a novel experimental technique for non-invasive inspection of industrial fluid/particle flows. The method is based on the dynamic positioning of a positron-emitting, flowing object (particle) performed through the sensing of annihilation events and subsequent numerical treatment to determine the particle position. The present paper shows an integrated overview of PEPT studies which were carried out using a new PET scanner in the Bergen University Hospital to study multiphase flows in different geometric configurations.

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining

PubMed Central

Liang, Qiaokang; Zhang, Dan; Wu, Wanneng; Zou, Kunlin

2016-01-01

Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC) tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing. PMID:27854322

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining.

PubMed

Liang, Qiaokang; Zhang, Dan; Wu, Wanneng; Zou, Kunlin

2016-11-16

Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC) tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing.

Complementary Constrains on Component based Multiphase Flow Problems, Should It Be Implemented Locally or Globally?

NASA Astrophysics Data System (ADS)

Shao, H.; Huang, Y.; Kolditz, O.

2015-12-01

Multiphase flow problems are numerically difficult to solve, as it often contains nonlinear Phase transition phenomena A conventional technique is to introduce the complementarity constraints where fluid properties such as liquid saturations are confined within a physically reasonable range. Based on such constraints, the mathematical model can be reformulated into a system of nonlinear partial differential equations coupled with variational inequalities. They can be then numerically handled by optimization algorithms. In this work, two different approaches utilizing the complementarity constraints based on persistent primary variables formulation[4] are implemented and investigated. The first approach proposed by Marchand et.al[1] is using "local complementary constraints", i.e. coupling the constraints with the local constitutive equations. The second approach[2],[3] , namely the "global complementary constrains", applies the constraints globally with the mass conservation equation. We will discuss how these two approaches are applied to solve non-isothermal componential multiphase flow problem with the phase change phenomenon. Several benchmarks will be presented for investigating the overall numerical performance of different approaches. The advantages and disadvantages of different models will also be concluded. References[1] E.Marchand, T.Mueller and P.Knabner. Fully coupled generalized hybrid-mixed finite element approximation of two-phase two-component flow in porous media. Part I: formulation and properties of the mathematical model, Computational Geosciences 17(2): 431-442, (2013). [2] A. Lauser, C. Hager, R. Helmig, B. Wohlmuth. A new approach for phase transitions in miscible multi-phase flow in porous media. Water Resour., 34,(2011), 957-966. [3] J. Jaffré, and A. Sboui. Henry's Law and Gas Phase Disappearance. Transp. Porous Media. 82, (2010), 521-526. [4] A. Bourgeat, M. Jurak and F. Smaï. Two-phase partially miscible flow and transport modeling in porous media : application to gas migration in a nuclear waste repository, Comp.Geosciences. (2009), Volume 13, Number 1, 29-42.

Continuum-Kinetic Models and Numerical Methods for Multiphase Applications

NASA Astrophysics Data System (ADS)

Nault, Isaac Michael

This thesis presents a continuum-kinetic approach for modeling general problems in multiphase solid mechanics. In this context, a continuum model refers to any model, typically on the macro-scale, in which continuous state variables are used to capture the most important physics: conservation of mass, momentum, and energy. A kinetic model refers to any model, typically on the meso-scale, which captures the statistical motion and evolution of microscopic entitites. Multiphase phenomena usually involve non-negligible micro or meso-scopic effects at the interfaces between phases. The approach developed in the thesis attempts to combine the computational performance benefits of a continuum model with the physical accuracy of a kinetic model when applied to a multiphase problem. The approach is applied to modeling a single particle impact in Cold Spray, an engineering process that intimately involves the interaction of crystal grains with high-magnitude elastic waves. Such a situation could be classified a multiphase application due to the discrete nature of grains on the spatial scale of the problem. For this application, a hyper elasto-plastic model is solved by a finite volume method with approximate Riemann solver. The results of this model are compared for two types of plastic closure: a phenomenological macro-scale constitutive law, and a physics-based meso-scale Crystal Plasticity model.

Modeling variability in porescale multiphase flow experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ling, Bowen; Bao, Jie; Oostrom, Mart

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 simulationsmore » 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.« less

An uncontrolled trial of multi-component care for first-episode psychosis: Effects on social cognition.

PubMed

Breitborde, Nicholas J K; Moe, Aubrey M; Woolverton, Cindy; Harrison-Monroe, Patricia; Bell, Emily K

2018-06-01

Growing evidence suggests that specialized, multi-component treatment programmes produce improvements in numerous outcomes among individuals with first-episode psychosis. However, these programmes often lack interventions specifically designed to address deficits in social cognition. This raises questions about the effectiveness of such programmes in addressing deficits in social cognition that accompany psychotic disorders. We investigated the effect of participation in a multi-component treatment programme on social cognition among 71 individuals with first-episode psychosis. Participants experienced gains in emotion processing, social knowledge, social perception and theory of mind. However, after controlling for multiple comparisons, these improvements were limited to theory of mind and recognition of social cues in low emotion interactions. Although our findings should be interpreted cautiously, they raise the possibility that individuals participating in multi-component treatment programmes for first-episode psychosis without interventions specifically targeting social cognition may still experience gains in social cognition. © 2017 John Wiley & Sons Australia, Ltd.

(n, N) type maintenance policy for multi-component systems with failure interactions

NASA Astrophysics Data System (ADS)

Zhang, Zhuoqi; Wu, Su; Li, Binfeng; Lee, Seungchul

2015-04-01

This paper studies maintenance policies for multi-component systems in which failure interactions and opportunistic maintenance (OM) involve. This maintenance problem can be formulated as a Markov decision process (MDP). However, since an action set and state space in MDP exponentially expand as the number of components increase, traditional approaches are computationally intractable. To deal with curse of dimensionality, we decompose such a multi-component system into mutually influential single-component systems. Each single-component system is formulated as an MDP with the objective of minimising its long-run average maintenance cost. Under some reasonable assumptions, we prove the existence of the optimal (n, N) type policy for a single-component system. An algorithm to obtain the optimal (n, N) type policy is also proposed. Based on the proposed algorithm, we develop an iterative approximation algorithm to obtain an acceptable maintenance policy for a multi-component system. Numerical examples find that failure interactions and OM pose significant effects on a maintenance policy.

Reentry trajectory optimization with waypoint and no-fly zone constraints using multiphase convex programming

NASA Astrophysics Data System (ADS)

Zhao, Dang-Jun; Song, Zheng-Yu

2017-08-01

This study proposes a multiphase convex programming approach for rapid reentry trajectory generation that satisfies path, waypoint and no-fly zone (NFZ) constraints on Common Aerial Vehicles (CAVs). Because the time when the vehicle reaches the waypoint is unknown, the trajectory of the vehicle is divided into several phases according to the prescribed waypoints, rendering a multiphase optimization problem with free final time. Due to the requirement of rapidity, the minimum flight time of each phase index is preferred over other indices in this research. The sequential linearization is used to approximate the nonlinear dynamics of the vehicle as well as the nonlinear concave path constraints on the heat rate, dynamic pressure, and normal load; meanwhile, the convexification techniques are proposed to relax the concave constraints on control variables. Next, the original multiphase optimization problem is reformulated as a standard second-order convex programming problem. Theoretical analysis is conducted to show that the original problem and the converted problem have the same solution. Numerical results are presented to demonstrate that the proposed approach is efficient and effective.

Direct Numerical Simulations of Multiphase Flows

NASA Astrophysics Data System (ADS)

Tryggvason, Gretar

2013-03-01

Many natural and industrial processes, such as rain and gas exchange between the atmosphere and oceans, boiling heat transfer, atomization and chemical reactions in bubble columns, involve multiphase flows. Often the mixture can be described as a disperse flow where one phase consists of bubbles or drops. Direct numerical simulations (DNS) of disperse flow have recently been used to study the dynamics of multiphase flows with a large number of bubbles and drops, often showing that the collective motion results in relatively simple large-scale structure. Here we review simulations of bubbly flows in vertical channels where the flow direction, as well as the bubble deformability, has profound implications on the flow structure and the total flow rate. Results obtained so far are summarized and open questions identified. The resolution for DNS of multiphase flows is usually determined by a dominant scale, such as the average bubble or drop size, but in many cases much smaller scales are also present. These scales often consist of thin films, threads, or tiny drops appearing during coalescence or breakup, or are due to the presence of additional physical processes that operate on a very different time scale than the fluid flow. The presence of these small-scale features demand excessive resolution for conventional numerical approaches. However, at small flow scales the effects of surface tension are generally strong so the interface geometry is simple and viscous forces dominate the flow and keep it simple also. These are exactly the conditions under which analytical models can be used and we will discuss efforts to combine a semi-analytical description for the small-scale processes with a fully resolved simulation of the rest of the flow. We will, in particular, present an embedded analytical description to capture the mass transfer from bubbles in liquids where the diffusion of mass is much slower than the diffusion of momentum. This results in very thin mass-boundary layers that are difficult to resolve, but the new approach allows us to simulate the mass transfer from many freely evolving bubbles and examine the effect of the interactions of the bubbles with each other and the flow. We will conclude by attempting to summarize the current status of DNS of multiphase flows. Support by NSF and DOE (CASL)

Practical modeling approaches for geological storage of carbon dioxide.

PubMed

Celia, Michael A; Nordbotten, Jan M

2009-01-01

The relentless increase of anthropogenic carbon dioxide emissions and the associated concerns about climate change have motivated new ideas about carbon-constrained energy production. One technological approach to control carbon dioxide emissions is carbon capture and storage, or CCS. The underlying idea of CCS is to capture the carbon before it emitted to the atmosphere and store it somewhere other than the atmosphere. Currently, the most attractive option for large-scale storage is in deep geological formations, including deep saline aquifers. Many physical and chemical processes can affect the fate of the injected CO2, with the overall mathematical description of the complete system becoming very complex. Our approach to the problem has been to reduce complexity as much as possible, so that we can focus on the few truly important questions about the injected CO2, most of which involve leakage out of the injection formation. Toward this end, we have established a set of simplifying assumptions that allow us to derive simplified models, which can be solved numerically or, for the most simplified cases, analytically. These simplified models allow calculation of solutions to large-scale injection and leakage problems in ways that traditional multicomponent multiphase simulators cannot. Such simplified models provide important tools for system analysis, screening calculations, and overall risk-assessment calculations. We believe this is a practical and important approach to model geological storage of carbon dioxide. It also serves as an example of how complex systems can be simplified while retaining the essential physics of the problem.

Coupled thermal–hydrological–mechanical modeling of CO 2 -enhanced coalbed methane recovery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Tianran; Rutqvist, Jonny; Oldenburg, Curtis M.

CO 2 -enhanced coalbed methane recovery, also known as CO 2 -ECBM, is a potential win-win approach for enhanced methane production while simultaneously sequestering injected anthropogenic CO 2 to decrease CO 2 emissions into the atmosphere. Here, CO 2 -ECBM is simulated using a coupled thermal–hydrological–mechanical (THM) numerical model that considers multiphase (gas and water) flow and solubility, multicomponent (CO 2 and CH 4 ) diffusion and adsorption, heat transfer and coal deformation. The coupled model is based on the TOUGH-FLAC simulator, which is applied here for the first time to model CO 2 -ECBM. The capacity of the simulatormore » for modeling methane production is verified by a code-to-code comparison with the general-purpose finite-element solver COMSOL. Then, the TOUGH-FLAC simulator is applied in an isothermal simulation to study the variations in permeability evolution during a CO 2 -ECBM operation while considering four different stress-dependent permeability models that have been implemented into the simulator. Finally, the TOUGH-FLAC simulator is applied in non-isothermal simulations to model THM responses during a CO 2 -ECBM operation.Our simulations show that the permeability evolution, mechanical stress, and deformation are all affected by changes in pressure, temperature and adsorption swelling, with adsorption swelling having the largest effect. The calculated stress changes do not induce any mechanical failure in the coal seam, except near the injection well in one case of a very unfavorable stress field.« less

New physical concepts for cell amoeboid motion.

PubMed Central

Evans, E

1993-01-01

Amoeboid motion of cells is an essential mechanism in the function of many biological organisms (e.g., the regiment of scavenger cells in the immune defense system of animals). This process involves rapid chemical polymerization (with numerous protein constituents) to create a musclelike contractile network that advances the cell over the surface. Significant progress has been made in the biology and biochemistry of motile cells, but the physical dynamics of cell spreading and contraction are not well understood. The reason is that general approaches are formulated from complex mass, momentum, and chemical reaction equations for multiphase-multicomponent flow with the nontrivial difficulty of moving boundaries. However, there are strong clues to the dynamics that allow bold steps to be taken in simplifying the physics of motion. First, amoeboid cells often exhibit exceptional kinematics, i.e., steady advance and retraction of local fixed-shape patterns. Second, recent evidence has shown that cell projections "grow" by polymerization along the advancing boundary of the cell. Together, these characteristics represent a local growth process pinned to the interfacial contour of a contractile network. As such, the moving boundary becomes tractable, but subtle features of the motion lead to specific requirements for the chemical nature of the boundary polymerization process. To demonstrate these features, simple examples for limiting conditions of substrate interaction (i.e., "strong" and "weak" adhesion) are compared with data from experimental studies of yeast particle engulfment by blood granulocytes and actin network dynamics in fishscale keratocytes. Images FIGURE 2 FIGURE 4 PMID:8494986

New physical concepts for cell amoeboid motion.

PubMed

Evans, E

1993-04-01

Amoeboid motion of cells is an essential mechanism in the function of many biological organisms (e.g., the regiment of scavenger cells in the immune defense system of animals). This process involves rapid chemical polymerization (with numerous protein constituents) to create a musclelike contractile network that advances the cell over the surface. Significant progress has been made in the biology and biochemistry of motile cells, but the physical dynamics of cell spreading and contraction are not well understood. The reason is that general approaches are formulated from complex mass, momentum, and chemical reaction equations for multiphase-multicomponent flow with the nontrivial difficulty of moving boundaries. However, there are strong clues to the dynamics that allow bold steps to be taken in simplifying the physics of motion. First, amoeboid cells often exhibit exceptional kinematics, i.e., steady advance and retraction of local fixed-shape patterns. Second, recent evidence has shown that cell projections "grow" by polymerization along the advancing boundary of the cell. Together, these characteristics represent a local growth process pinned to the interfacial contour of a contractile network. As such, the moving boundary becomes tractable, but subtle features of the motion lead to specific requirements for the chemical nature of the boundary polymerization process. To demonstrate these features, simple examples for limiting conditions of substrate interaction (i.e., "strong" and "weak" adhesion) are compared with data from experimental studies of yeast particle engulfment by blood granulocytes and actin network dynamics in fishscale keratocytes.

Coupled thermal–hydrological–mechanical modeling of CO 2 -enhanced coalbed methane recovery

DOE PAGES

Ma, Tianran; Rutqvist, Jonny; Oldenburg, Curtis M.; ...

2017-05-22

CO 2 -enhanced coalbed methane recovery, also known as CO 2 -ECBM, is a potential win-win approach for enhanced methane production while simultaneously sequestering injected anthropogenic CO 2 to decrease CO 2 emissions into the atmosphere. Here, CO 2 -ECBM is simulated using a coupled thermal–hydrological–mechanical (THM) numerical model that considers multiphase (gas and water) flow and solubility, multicomponent (CO 2 and CH 4 ) diffusion and adsorption, heat transfer and coal deformation. The coupled model is based on the TOUGH-FLAC simulator, which is applied here for the first time to model CO 2 -ECBM. The capacity of the simulatormore » for modeling methane production is verified by a code-to-code comparison with the general-purpose finite-element solver COMSOL. Then, the TOUGH-FLAC simulator is applied in an isothermal simulation to study the variations in permeability evolution during a CO 2 -ECBM operation while considering four different stress-dependent permeability models that have been implemented into the simulator. Finally, the TOUGH-FLAC simulator is applied in non-isothermal simulations to model THM responses during a CO 2 -ECBM operation.Our simulations show that the permeability evolution, mechanical stress, and deformation are all affected by changes in pressure, temperature and adsorption swelling, with adsorption swelling having the largest effect. The calculated stress changes do not induce any mechanical failure in the coal seam, except near the injection well in one case of a very unfavorable stress field.« less

The use of numerical programs in research and academic institutions

NASA Astrophysics Data System (ADS)

Scupi, A. A.

2016-08-01

This paper is conceived on the idea that numerical programs using computer models of physical processes can be used both for scientific research and academic teaching to study different phenomena. Computational Fluid Dynamics (CFD) is used today on a large scale in research and academic institutions. CFD development is not limited to computer simulations of fluid flow phenomena. Analytical solutions for most fluid dynamics problems are already available for ideal or simplified situations for different situations. CFD is based on the Navier- Stokes (N-S) equations characterizing the flow of a single phase of any liquid. For multiphase flows the integrated N-S equations are complemented with equations of the Volume of Fluid Model (VOF) and with energy equations. Different turbulent models were used in the paper, each one of them with practical engineering applications: the flow around aerodynamic surfaces used as unconventional propulsion system, multiphase flows in a settling chamber and pneumatic transport systems, heat transfer in a heat exchanger etc. Some of them numerical results were validated by experimental results. Numerical programs are also used in academic institutions where certain aspects of various phenomena are presented to students (Bachelor, Master and PhD) for a better understanding of the phenomenon itself.

Improved Cook-off Modeling of Multi-component Cast Explosives

NASA Astrophysics Data System (ADS)

Nichols, Albert

2017-06-01

In order to understand the hazards associated with energetic materials, it is important to understand their behavior in adverse thermal environments. These processes have been relatively well understood for solid explosives, however, the same cannot be said for multi-component melt-cast explosives. Here we describe the continued development of ALE3D, a coupled thermal/chemical/mechanical code, to improve its description of fluid explosives. The improved physics models include: 1) Chemical potential driven species segregation. This model allows us to model the complex flow fields associated with the melting and decomposing Comp-B, where the denser RDX tends to settle and the decomposing gasses rise, 2) Automatically scaled stream-wise diffusion model for thermal, species, and momentum diffusion. These models add sufficient numerical diffusion in the direction of flow to maintain numerical stability when the system is under resolved, as occurs for large systems. And 3) a slurry viscosity model, required to properly define the flow characteristics of the multi-component fluidized system. These models will be demonstrated on a simple Comp-B system. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Development of a Reduced-Order Model for Reacting Gas-Solids Flow using Proper Orthogonal Decomposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

McDaniel, Dwayne; Dulikravich, George; Cizmas, Paul

2017-11-27

This report summarizes the objectives, tasks and accomplishments made during the three year duration of this research project. The report presents the results obtained by applying advanced computational techniques to develop reduced-order models (ROMs) in the case of reacting multiphase flows based on high fidelity numerical simulation of gas-solids flow structures in risers and vertical columns obtained by the Multiphase Flow with Interphase eXchanges (MFIX) software. The research includes a numerical investigation of reacting and non-reacting gas-solids flow systems and computational analysis that will involve model development to accelerate the scale-up process for the design of fluidization systems by providingmore » accurate solutions that match the full-scale models. The computational work contributes to the development of a methodology for obtaining ROMs that is applicable to the system of gas-solid flows. Finally, the validity of the developed ROMs is evaluated by comparing the results against those obtained using the MFIX code. Additionally, the robustness of existing POD-based ROMs for multiphase flows is improved by avoiding non-physical solutions of the gas void fraction and ensuring that the reduced kinetics models used for reactive flows in fluidized beds are thermodynamically consistent.« less

Marketing orientation in hospitals: findings from a multi-phased research study.

PubMed

Wrenn, Bruce

2007-01-01

It is clear from numerous studies conducted over a wide variety of industries that marketing-oriented organizations perform better than those that do not adopt this business philosophy. Recent studies have confirmed this finding in healthcare organizations as well. What is now coming to light is the way in which a marketing orientation does contribute to better performance in hospitals, and the difficulties marketers face in getting recognition of that fact by non-marketers in their organization. This article reports on a multi-phased research study of the implementation of marketing-oriented behaviors in a hospital setting.

Numerical and Analytical Model of an Electrodynamic Dust Shield for Solar Panels on Mars

NASA Technical Reports Server (NTRS)

Calle, C. I.; Linell, B.; Chen, A.; Meyer, J.; Clements, S.; Mazumder, M. K.

2006-01-01

Masuda and collaborators at the University of Tokyo developed a method to confine and transport particles called the electric curtain in which a series of parallel electrodes connected to an AC source generates a traveling wave that acts as a contactless conveyor. The curtain electrodes can be excited by a single-phase or a multi-phase AC voltage. A multi-phase curtain produces a non-uniform traveling wave that provides controlled transport of those particles [1-6]. Multi-phase electric curtains from two to six phases have been developed and studied by several research groups [7-9]. We have developed an Electrodynamic Dust Shield prototype using threephase AC voltage electrodes to remove dust from surfaces. The purpose of the modeling work presented here is to research and to better understand the physics governing the electrodynamic shield, as well as to advance and to support the experimental dust shield research.

A genuinely discontinuous approach for multiphase EHD problems

NASA Astrophysics Data System (ADS)

Natarajan, Mahesh; Desjardins, Olivier

2017-11-01

Electrohydrodynamics (EHD) involves solving the Poisson equation for the electric field potential. For multiphase flows, although the electric field potential is a continuous quantity, due to the discontinuity in the electric permittivity between the phases, additional jump conditions at the interface, for the normal and tangential components of the electric field need to be satisfied. All approaches till date either ignore the jump conditions, or involve simplifying assumptions, and hence yield unconvincing results even for simple test problems. In the present work, we develop a genuinely discontinuous approach for the Poisson equation for multiphase flows using a Finite Volume Unsplit Volume of Fluid method. The governing equation and the jump conditions without assumptions are used to develop the method, and its efficiency is demonstrated by comparison of the numerical results with canonical test problems having exact solutions. Postdoctoral Associate, Department of Mechanical and Aerospace Engineering.

Influence of Natural Convection and Thermal Radiation Multi-Component Transport in MOCVD Reactors

NASA Technical Reports Server (NTRS)

Lowry, S.; Krishnan, A.; Clark, I.

1999-01-01

The influence of Grashof and Reynolds number in Metal Organic Chemical Vapor (MOCVD) reactors is being investigated under a combined empirical/numerical study. As part of that research, the deposition of Indium Phosphide in an MOCVD reactor is modeled using the computational code CFD-ACE. The model includes the effects of convection, conduction, and radiation as well as multi-component diffusion and multi-step surface/gas phase chemistry. The results of the prediction are compared with experimental data for a commercial reactor and analyzed with respect to the model accuracy.

Multiphase flow modelling of explosive volcanic eruptions using adaptive unstructured meshes

NASA Astrophysics Data System (ADS)

Jacobs, Christian T.; Collins, Gareth S.; Piggott, Matthew D.; Kramer, Stephan C.

2014-05-01

Explosive volcanic eruptions generate highly energetic plumes of hot gas and ash particles that produce diagnostic deposits and pose an extreme environmental hazard. The formation, dispersion and collapse of these volcanic plumes are complex multiscale processes that are extremely challenging to simulate numerically. Accurate description of particle and droplet aggregation, movement and settling requires a model capable of capturing the dynamics on a range of scales (from cm to km) and a model that can correctly describe the important multiphase interactions that take place. However, even the most advanced models of eruption dynamics to date are restricted by the fixed mesh-based approaches that they employ. The research presented herein describes the development of a compressible multiphase flow model within Fluidity, a combined finite element / control volume computational fluid dynamics (CFD) code, for the study of explosive volcanic eruptions. Fluidity adopts a state-of-the-art adaptive unstructured mesh-based approach to discretise the domain and focus numerical resolution only in areas important to the dynamics, while decreasing resolution where it is not needed as a simulation progresses. This allows the accurate but economical representation of the flow dynamics throughout time, and potentially allows large multi-scale problems to become tractable in complex 3D domains. The multiphase flow model is verified with the method of manufactured solutions, and validated by simulating published gas-solid shock tube experiments and comparing the numerical results against pressure gauge data. The application of the model considers an idealised 7 km by 7 km domain in which the violent eruption of hot gas and volcanic ash high into the atmosphere is simulated. Although the simulations do not correspond to a particular eruption case study, the key flow features observed in a typical explosive eruption event are successfully captured. These include a shock wave resulting from the sudden high-velocity inflow of gas and ash; the formation of a particle-laden plume rising several hundred metres into the atmosphere; the eventual collapse of the plume which generates a volcanic ash fountain and a fast ground-hugging pyroclastic density current; and the growth of a dilute convective region that rises above the ash fountain as a result of buoyancy effects. The results from Fluidity are also compared with results from MFIX, a fixed structured mesh-based multiphase flow code, that uses the same set-up. The key flow features are also captured in MFIX, providing at least some confidence in the plausibility of the numerical results in the absence of quantitative field data. Finally, it is shown by a convergence analysis that Fluidity offers the same solution accuracy for reduced computational cost using an adaptive mesh, compared to the same simulation performed with a uniform fixed mesh.

Phase equilibria computations of multicomponent mixtures at specified internal energy and volume

NASA Astrophysics Data System (ADS)

Myint, Philip C.; Nichols, Albert L., III; Springer, H. Keo

2017-06-01

Hydrodynamic simulation codes for high-energy density science applications often use internal energy and volume as their working variables. As a result, the codes must determine the thermodynamic state that corresponds to the specified energy and volume by finding the global maximum in entropy. This task is referred to as the isoenergetic-isochoric flash. Solving it for multicomponent mixtures is difficult because one must find not only the temperature and pressure consistent with the energy and volume, but also the number of phases present and the composition of the phases. The few studies on isoenergetic-isochoric flash that currently exist all require the evaluation of many derivatives that can be tedious to implement. We present an alternative approach that is based on a derivative-free method: particle swarm optimization. The global entropy maximum is found by running several instances of particle swarm optimization over different sets of randomly selected points in the search space. For verification, we compare the predicted temperature and pressure to results from the related, but simpler problem of isothermal-isobaric flash. All of our examples involve the equation of state we have recently developed for multiphase mixtures of the energetic materials HMX, RDX, and TNT. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Evaluation of Interfacial Forces and Bubble-Induced Turbulence Using Direct Numerical Simulation

NASA Astrophysics Data System (ADS)

Feng, Jinyong

High fidelity prediction of multiphase flows is important in a wide range of engineering applications. While some multiphase flow scenarios can be successfully modeled, many questions remain unanswered regarding the interaction between the bubbles and the turbulence, and present significant challenges in the development of closure laws for the multiphase computational fluid dynamics (M-CFD) models. To address these challenges, we propose to evaluate the interfacial forces and bubble-induced turbulence in both laminar and turbulent flow field with direct numerical simulation (DNS) approach. Advanced finite-element based flow solver (PHASTA) with level-set interface tracking method is utilized for these studies. The proportional-integral-derivative (PID) controller is adopted to ensure the statistically steady state bubble position and perform the detailed study of the turbulent field around the bubble. Selected numerical capabilities and post-processing codes are developed to achieve the research goals. The interface tracking approach is verified and validated by comparing the interfacial forces with the experiment-based data and correlations. The sign change of transverse lift force is observed as the bubble becomes more deformable. A new correlation is proposed to predict the behavior of the drag coefficient over the wide range of conditions. The wall effect on the interfacial forces are also investigated. In homogeneous turbulent flow, the effect of bubble deformability, turbulent intensity and relative velocity on the bubble-induced turbulence are analyzed. The presented method and novel results will complement the experimental database, provide insight to the bubbleinduced turbulence mechanism and help the development of M-CFD closure models.

A phase-field lattice Boltzmann model for simulating multiphase flows in porous media: Application and comparison to experiments of CO2 sequestration at pore scale

NASA Astrophysics Data System (ADS)

Fakhari, Abbas; Li, Yaofa; Bolster, Diogo; Christensen, Kenneth T.

2018-04-01

We implement a phase-field based lattice-Boltzmann (LB) method for numerical simulation of multiphase flows in heterogeneous porous media at pore scales with wettability effects. The present method can handle large density and viscosity ratios, pertinent to many practical problems. As a practical application, we study multiphase flow in a micromodel representative of CO2 invading a water-saturated porous medium at reservoir conditions, both numerically and experimentally. We focus on two flow cases with (i) a crossover from capillary fingering to viscous fingering at a relatively small capillary number, and (ii) viscous fingering at a relatively moderate capillary number. Qualitative and quantitative comparisons are made between numerical results and experimental data for temporal and spatial CO2 saturation profiles, and good agreement is found. In particular, a correlation analysis shows that any differences between simulations and results are comparable to intra-experimental differences from replicate experiments. A key conclusion of this work is that system behavior is highly sensitive to boundary conditions, particularly inlet and outlet ones. We finish with a discussion on small-scale flow features, such as the emergence of strong recirculation zones as well as flow in which the residual phase is trapped, including a close look at the detailed formation of a water cone. Overall, the proposed model yields useful information, such as the spatiotemporal evolution of the CO2 front and instantaneous velocity fields, which are valuable for understanding the mechanisms of CO2 infiltration at the pore scale.

FAST TRACK COMMUNICATION Multi-component generalizations of the CH equation: geometrical aspects, peakons and numerical examples

NASA Astrophysics Data System (ADS)

Holm, D. D.; Ivanov, R. I.

2010-12-01

The Lax pair formulation of the two-component Camassa-Holm equation (CH2) is generalized to produce an integrable multi-component family, CH(n, k), of equations with n components and 1 <= |k| <= n velocities. All of the members of the CH(n, k) family show fluid-dynamics properties with coherent solitons following particle characteristics. We determine their Lie-Poisson Hamiltonian structures and give numerical examples of their soliton solution behaviour. We concentrate on the CH(2, k) family with one or two velocities, including the CH(2, -1) equation in the Dym position of the CH2 hierarchy. A brief discussion of the CH(3, 1) system reveals the underlying graded Lie-algebraic structure of the Hamiltonian formulation for CH(n, k) when n >= 3. Fondly recalling our late friend Jerry Marsden.

Studying Turbulence Using Numerical Simulation Databases - X Proceedings of the 2004 Summer Program

NASA Technical Reports Server (NTRS)

Moin, Parviz; Mansour, Nagi N.

2004-01-01

This Proceedings volume contains 32 papers that span a wide range of topics that reflect the ubiquity of turbulence. The papers have been divided into six groups: 1) Solar Simulations; 2) Magnetohydrodynamics (MHD); 3) Large Eddy Simulation (LES) and Numerical Simulations; 4) Reynolds Averaged Navier Stokes (RANS) Modeling and Simulations; 5) Stability and Acoustics; 6) Combustion and Multi-Phase Flow.

High temperature helical tubular receiver for concentrating solar power system

NASA Astrophysics Data System (ADS)

Hossain, Nazmul

In the field of conventional cleaner power generation technology, concentrating solar power systems have introduced remarkable opportunity. In a solar power tower, solar energy concentrated by the heliostats at a single point produces very high temperature. Falling solid particles or heat transfer fluid passing through that high temperature region absorbs heat to generate electricity. Increasing the residence time will result in more heat gain and increase efficiency. A novel design of solar receiver for both fluid and solid particle is approached in this paper which can increase residence time resulting in higher temperature gain in one cycle compared to conventional receivers. The helical tubular solar receiver placed at the focused sunlight region meets the higher outlet temperature and efficiency. A vertical tubular receiver is modeled and analyzed for single phase flow with molten salt as heat transfer fluid and alloy625 as heat transfer material. The result is compared to a journal paper of similar numerical and experimental setup for validating our modeling. New types of helical tubular solar receivers are modeled and analyzed with heat transfer fluid turbulent flow in single phase, and granular particle and air plug flow in multiphase to observe the temperature rise in one cyclic operation. The Discrete Ordinate radiation model is used for numerical analysis with simulation software Ansys Fluent 15.0. The Eulerian granular multiphase model is used for multiphase flow. Applying the same modeling parameters and boundary conditions, the results of vertical and helical receivers are compared. With a helical receiver, higher temperature gain of heat transfer fluid is achieved in one cycle for both single phase and multiphase flow compared to the vertical receiver. Performance is also observed by varying dimension of helical receiver.

Verification and Validation (V&V) Methodologies for Multiphase Turbulent and Explosive Flows. V&V Case Studies of Computer Simulations from Los Alamos National Laboratory GMFIX codes

NASA Astrophysics Data System (ADS)

Dartevelle, S.

2006-12-01

Large-scale volcanic eruptions are inherently hazardous events, hence cannot be described by detailed and accurate in situ measurements; hence, volcanic explosive phenomenology is inadequately constrained in terms of initial and inflow conditions. Consequently, little to no real-time data exist to Verify and Validate computer codes developed to model these geophysical events as a whole. However, code Verification and Validation remains a necessary step, particularly when volcanologists use numerical data for mitigation of volcanic hazards as more often performed nowadays. The Verification and Validation (V&V) process formally assesses the level of 'credibility' of numerical results produced within a range of specific applications. The first step, Verification, is 'the process of determining that a model implementation accurately represents the conceptual description of the model', which requires either exact analytical solutions or highly accurate simplified experimental data. The second step, Validation, is 'the process of determining the degree to which a model is an accurate representation of the real world', which requires complex experimental data of the 'real world' physics. The Verification step is rather simple to formally achieve, while, in the 'real world' explosive volcanism context, the second step, Validation, is about impossible. Hence, instead of validating computer code against the whole large-scale unconstrained volcanic phenomenology, we rather suggest to focus on the key physics which control these volcanic clouds, viz., momentum-driven supersonic jets and multiphase turbulence. We propose to compare numerical results against a set of simple but well-constrained analog experiments, which uniquely and unambiguously represent these two key-phenomenology separately. Herewith, we use GMFIX (Geophysical Multiphase Flow with Interphase eXchange, v1.62), a set of multiphase- CFD FORTRAN codes, which have been recently redeveloped to meet the strict Quality Assurance, verification, and validation requirements from the Office of Civilian Radioactive Waste Management of the US Dept of Energy. GMFIX solves Navier-Stokes and energy partial differential equations for each phase with appropriate turbulence and interfacial coupling between phases. For momentum-driven single- to multi-phase underexpanded jets, the position of the first Mach disk is known empirically as a function of both the pressure ratio, K, and the particle mass fraction, Phi at the nozzle. Namely, the higher K, the further downstream the Mach disk and the higher Phi, the further upstream the first Mach disk. We show that GMFIX captures these two essential features. In addition, GMFIX displays all the properties found in these jets, such as expansion fans, incident and reflected shocks, and subsequent downstream mach discs, which make this code ideal for further investigations of equivalent volcanological phenomena. One of the other most challenging aspects of volcanic phenomenology is the multiphase nature of turbulence. We also validated GMFIX in comparing the velocity profiles and turbulence quantities against well constrained analog experiments. The velocity profiles agree with the analog ones as well as these of production of turbulent quantities. Overall, the Verification and the Validation experiments although inherently challenging suggest GMFIX captures the most essential dynamical properties of multiphase and supersonic flows and jets.

Gauss Seidel-type methods for energy states of a multi-component Bose Einstein condensate

NASA Astrophysics Data System (ADS)

Chang, Shu-Ming; Lin, Wen-Wei; Shieh, Shih-Feng

2005-01-01

In this paper, we propose two iterative methods, a Jacobi-type iteration (JI) and a Gauss-Seidel-type iteration (GSI), for the computation of energy states of the time-independent vector Gross-Pitaevskii equation (VGPE) which describes a multi-component Bose-Einstein condensate (BEC). A discretization of the VGPE leads to a nonlinear algebraic eigenvalue problem (NAEP). We prove that the GSI method converges locally and linearly to a solution of the NAEP if and only if the associated minimized energy functional problem has a strictly local minimum. The GSI method can thus be used to compute ground states and positive bound states, as well as the corresponding energies of a multi-component BEC. Numerical experience shows that the GSI converges much faster than JI and converges globally within 10-20 steps.

Directional Acoustic Wave Manipulation by a Porpoise via Multiphase Forehead Structure

NASA Astrophysics Data System (ADS)

Zhang, Yu; Song, Zhongchang; Wang, Xianyan; Cao, Wenwu; Au, Whitlow W. L.

2017-12-01

Porpoises are small-toothed whales, and they can produce directional acoustic waves to detect and track prey with high resolution and a wide field of view. Their sound-source sizes are rather small in comparison with the wavelength so that beam control should be difficult according to textbook sonar theories. Here, we demonstrate that the multiphase material structure in a porpoise's forehead is the key to manipulating the directional acoustic field. Computed tomography (CT) derives the multiphase (bone-air-tissue) complex, tissue experiments obtain the density and sound-velocity multiphase gradient distributions, and acoustic fields and beam formation are numerically simulated. The results suggest the control of wave propagations and sound-beam formations is realized by cooperation of the whole forehead's tissues and structures. The melon size significantly impacts the side lobes of the beam and slightly influences the main beams, while the orientation of the vestibular sac mainly adjusts the main beams. By compressing the forehead complex, the sound beam can be expanded for near view. The porpoise's biosonar allows effective wave manipulations for its omnidirectional sound source, which can help the future development of miniaturized biomimetic projectors in underwater sonar, medical ultrasonography, and other ultrasonic imaging applications.

A Comparison of Analytical and Numerical Methods for Modeling Dissolution and Other Reactions in Transport Limited Systems

NASA Astrophysics Data System (ADS)

Hochstetler, D. L.; Kitanidis, P. K.

2009-12-01

Modeling the transport of reactive species is a computationally demanding problem, especially in complex subsurface media, where it is crucial to improve understanding of geochemical processes and the fate of groundwater contaminants. In most of these systems, reactions are inherently fast and actual rates of transformations are limited by the slower physical transport mechanisms. There have been efforts to reformulate multi-component reactive transport problems into systems that are simpler and less demanding to solve. These reformulations include defining conservative species and decoupling of reactive transport equations so that fewer of them must be solved, leaving mostly conservative equations for transport [e.g., De Simoni et al., 2005; De Simoni et al., 2007; Kräutle and Knabner, 2007; Molins et al., 2004]. Complex and computationally cumbersome numerical codes used to solve such problems have also caused De Simoni et al. [2005] to develop more manageable analytical solutions. Furthermore, this work evaluates reaction rates and has reaffirmed that the mixing rate,▽TuD▽u, where u is a solute concentration and D is the dispersion tensor, as defined by Kitanidis [1994], is an important and sometimes dominant factor in determining reaction rates. Thus, mixing of solutions is often reaction-limiting. We will present results from analytical and computational modeling of multi-component reactive-transport problems. The results have applications to dissolution of solid boundaries (e.g., calcite), dissolution of non-aqueous phase liquids (NAPLs) in separate phases, and mixing of saltwater and freshwater (e.g. saltwater intrusion in coastal carbonate aquifers). We quantify reaction rates, compare numerical and analytical results, and analyze under what circumstances which approach is most effective for a given problem. References: DeSimoni, M., et al. (2005), A procedure for the solution of multicomponent reactive transport problems, Water Resources Research, 41(W11410). DeSimoni, M., et al. (2007), A mixing ratios-based formulation for multicomponent reactive transport, Water Resources Research, 43(W07419). Kitanidis, P. (1994), The Concept of the Dilution Index, Water Resources Research, 30(7), 2011-2026. Kräutle, S., and P. Knabner (2007), A reduction scheme for coupled multicomponent transport-reaction problems in porous media: Generalization to problems with heterogeneous equilibrium reactions Water Resources Research, 43. Molins, S., et al. (2004), A formulation for decoupling components in reactive transport porblems, Water Resources Research, 40, 13.

DNSs of Multicomponent Gaseous and Drop-Laden Mixing Layers Achieving Transition to Turbulence

NASA Technical Reports Server (NTRS)

Bellan, Josette; Selle, Laurent

2007-01-01

A paper describes direct numerical simulations (DNSs) of three-dimensional mixing-layer flows undergoing transition to turbulence; the mixing layers may or may not be laden with evaporating liquid drops.

Thermodynamic Modelling of Phase Transformation in a Multi-Component System

NASA Astrophysics Data System (ADS)

Vala, J.

2007-09-01

Diffusion in multi-component alloys can be characterized by the vacancy mechanism for substitutional components, by the existence of sources and sinks for vacancies and by the motion of atoms of interstitial components. The description of diffusive and massive phase transformation of a multi-component system is based on the thermodynamic extremal principle by Onsager; the finite thickness of the interface between both phases is respected. The resulting system of partial differential equations of evolution with integral terms for unknown mole fractions (and additional variables in case of non-ideal sources and sinks for vacancies), can be analyzed using the method of lines and the finite difference technique (or, alternatively, the finite element one) together with the semi-analytic and numerical integration formulae and with certain iteration procedure, making use of the spectral properties of linear operators. The original software code for the numerical evaluation of solutions of such systems, written in MATLAB, offers a chance to simulate various real processes of diffusional phase transformation. Some results for the (nearly) steady-state real processes in substitutional alloys have been published yet. The aim of this paper is to demonstrate that the same approach can handle both substitutional and interstitial components even in case of a general system of evolution.

Thermodiffusion phenomena

NASA Astrophysics Data System (ADS)

Costesèque, Pierre; Mojtabi, Abdelkader; Platten, Jean Karl

2011-05-01

The aim of this article is to present briefly a summary of the state of art in theoretical, experimental and numerical approaches in thermodiffusion. The concepts and equations giving the mass flux of constituents in binary, ternary and multicomponent mixtures are presented.

A multi-component evaporation model for beam melting processes

NASA Astrophysics Data System (ADS)

Klassen, Alexander; Forster, Vera E.; Körner, Carolin

2017-02-01

In additive manufacturing using laser or electron beam melting technologies, evaporation losses and changes in chemical composition are known issues when processing alloys with volatile elements. In this paper, a recently described numerical model based on a two-dimensional free surface lattice Boltzmann method is further developed to incorporate the effects of multi-component evaporation. The model takes into account the local melt pool composition during heating and fusion of metal powder. For validation, the titanium alloy Ti-6Al-4V is melted by selective electron beam melting and analysed using mass loss measurements and high-resolution microprobe imaging. Numerically determined evaporation losses and spatial distributions of aluminium compare well with experimental data. Predictions of the melt pool formation in bulk samples provide insight into the competition between the loss of volatile alloying elements from the irradiated surface and their advective redistribution within the molten region.

Study of blood flow in several benchmark micro-channels using a two-fluid approach.

PubMed

Wu, Wei-Tao; Yang, Fang; Antaki, James F; Aubry, Nadine; Massoudi, Mehrdad

2015-10-01

It is known that in a vessel whose characteristic dimension (e.g., its diameter) is in the range of 20 to 500 microns, blood behaves as a non-Newtonian fluid, exhibiting complex phenomena, such as shear-thinning, stress relaxation, and also multi-component behaviors, such as the Fahraeus effect, plasma-skimming, etc. For describing these non-Newtonian and multi-component characteristics of blood, using the framework of mixture theory, a two-fluid model is applied, where the plasma is treated as a Newtonian fluid and the red blood cells (RBCs) are treated as shear-thinning fluid. A computational fluid dynamic (CFD) simulation incorporating the constitutive model was implemented using OpenFOAM® in which benchmark problems including a sudden expansion and various driven slots and crevices were studied numerically. The numerical results exhibited good agreement with the experimental observations with respect to both the velocity field and the volume fraction distribution of RBCs.

General Model for Multicomponent Ablation Thermochemistry

NASA Technical Reports Server (NTRS)

Milos, Frank S.; Marschall, Jochen; Rasky, Daniel J. (Technical Monitor)

1994-01-01

A previous paper (AIAA 94-2042) presented equations and numerical procedures for modeling the thermochemical ablation and pyrolysis of thermal protection materials which contain multiple surface species. This work describes modifications and enhancements to the Multicomponent Ablation Thermochemistry (MAT) theory and code for application to the general case which includes surface area constraints, rate limited surface reactions, and non-thermochemical mass loss (failure). Detailed results and comparisons with data are presented for the Shuttle Orbiter reinforced carbon-carbon oxidation protection system which contains a mixture of sodium silicate (Na2SiO3), silica (SiO2), silicon carbide (SiC), and carbon (C).

Ash chemistry and sintering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skrifvars, B.J.; Backman, R.; Hupa, M.

1996-10-01

The chemistry of a fuel ash is important to consider when ash behavior in combustion or gasification is studied. Four different types of thermal behavior based bed agglomeration and deposit foliation mechanisms have been proposed to be important, (1) partial melting, (2) viscous flow, (3) chemical reaction sintering, and (4) solid state sintering. In this paper we present data from a broader study in which we have quantified the four mechanisms more in detail. The ashes from 10 different types of fuels have been tested for their sintering tendency by a compression strength sintering test. The ashes were also subjectmore » to quantitative wet chemical analyses and combined differential thermal, thermogravimetric (DT/TG) analyses. These thermal behavior predictions were compared with multi-component multi-phase thermodynamic phase equilibrium calculations and further with full scale combustion experience. The results and their relevance to full scale conversion systems are discussed in the paper.« less

On a Multiphase Multicomponent Model of Biofilm Growth

NASA Astrophysics Data System (ADS)

Friedman, Avner; Hu, Bei; Xue, Chuan

2014-01-01

Biofilms are formed when free-floating bacteria attach to a surface and secrete polysaccharide to form an extracellular polymeric matrix (EPS). A general model of biofilm growth needs to include the bacteria, the EPS, and the solvent within the biofilm region Ω( t), and the solvent in the surrounding region D( t). The interface between the two regions, Γ( t), is a free boundary. In this paper, we consider a mathematical model that consists of a Stokes equation for the EPS with bacteria attached to it, a Stokes equation for the solvent in Ω( t) and another for the solvent in D( t). The volume fraction of the EPS is another unknown satisfying a reaction-diffusion equation. The entire system is coupled nonlinearly within Ω( t) and across the free surface Γ( t). We prove the existence and uniqueness of a solution, with a smooth surface Γ( t), for a small time interval.

Simulation of gaseous diffusion in partially saturated porous media under variable gravity with lattice Boltzmann methods

NASA Technical Reports Server (NTRS)

Chau, Jessica Furrer; Or, Dani; Sukop, Michael C.; Steinberg, S. L. (Principal Investigator)

2005-01-01

Liquid distributions in unsaturated porous media under different gravitational accelerations and corresponding macroscopic gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. We used a single-component, multiphase lattice Boltzmann code to simulate liquid configurations in two-dimensional porous media at varying water contents for different gravity conditions and measured gas diffusion through the media using a multicomponent lattice Boltzmann code. The relative diffusion coefficients (D rel) for simulations with and without gravity as functions of air-filled porosity were in good agreement with measured data and established models. We found significant differences in liquid configuration in porous media, leading to reductions in D rel of up to 25% under zero gravity. The study highlights potential applications of the lattice Boltzmann method for rapid and cost-effective evaluation of alternative plant growth media designs under variable gravity.

Investigation of two-phase heat transfer coefficients of argon-freon cryogenic mixed refrigerants

NASA Astrophysics Data System (ADS)

Baek, Seungwhan; Lee, Cheonkyu; Jeong, Sangkwon

2014-11-01

Mixed refrigerant Joule Thomson refrigerators are widely used in various kinds of cryogenic systems these days. Although heat transfer coefficient estimation for a multi-phase and multi-component fluid in the cryogenic temperature range is necessarily required in the heat exchanger design of mixed refrigerant Joule Thomson refrigerators, it has been rarely discussed so far. In this paper, condensation and evaporation heat transfer coefficients of argon-freon mixed refrigerant are measured in a microchannel heat exchanger. A Printed Circuit Heat Exchanger (PCHE) with 340 μm hydraulic diameter has been developed as a compact microchannel heat exchanger and utilized in the experiment. Several two-phase heat transfer coefficient correlations are examined to discuss the experimental measurement results. The result of this paper shows that cryogenic two-phase mixed refrigerant heat transfer coefficients can be estimated by conventional two-phase heat transfer coefficient correlations.

Reaction diffusion in the NiCrAl and CoCrAl systems

NASA Technical Reports Server (NTRS)

Levine, S. R.

1978-01-01

The paper assesses the effect of overlay coating and substrate composition on the kinetics of coating depletion by interdiffusion. This is accomplished by examining the constitution, kinetics and activation energies for a series of diffusion couples primarily of the NiCrAl/Ni-10Cr or CoCrAl/Ni-10Cr type annealed at temperatures in the range 1000-1205 C for times up to 500 hr. A general procedure is developed for analyzing diffusion in multicomponent multiphase systems. It is shown that by introducing the concept of beta-source strength, which can be determined from appropriate phase diagrams, the Wagner solution for consumption of a second phase in a semiinfinite couple is successfully applied to the analysis of MCrAl couples. Thus, correlation of beta-recession rate constants with couple composition, total and diffusional activation energies, and interdiffusion coefficients are determined.

Low-Temperature Criticality of Martensitic Transformations of Cu Nanoprecipitates in α-Fe

NASA Astrophysics Data System (ADS)

Erhart, Paul; Sadigh, Babak

2013-07-01

Nanoprecipitates form during nucleation of multiphase equilibria in phase segregating multicomponent systems. In spite of their ubiquity, their size-dependent physical chemistry, in particular, at the boundary between phases with incompatible topologies, is still rather arcane. Here, we use extensive atomistic simulations to map out the size-temperature phase diagram of Cu nanoprecipitates in α-Fe. The growing precipitates undergo martensitic transformations from the body-centered cubic (bcc) phase to multiply twinned 9R structures. At high temperatures, the transitions exhibit strong first-order character and prominent hysteresis. Upon cooling, the discontinuities become less pronounced and the transitions occur at ever smaller cluster sizes. Below 300 K, the hysteresis vanishes while the transition remains discontinuous with a finite but diminishing latent heat. This unusual size-temperature phase diagram results from the entropy generated by the soft modes of the bcc-Cu phase, which are stabilized through confinement by the α-Fe lattice.

Slush Fund: Modeling the Multiphase Physics of Oceanic Ices

NASA Astrophysics Data System (ADS)

Buffo, J.; Schmidt, B. E.

2016-12-01

The prevalence of ice interacting with an ocean, both on Earth and throughout the solar system, and its crucial role as the mediator of exchange between the hydrosphere below and atmosphere above, have made quantifying the thermodynamic, chemical, and physical properties of the ice highly desirable. While direct observations of these quantities exist, their scarcity increases with the difficulty of obtainment; the basal surfaces of terrestrial ice shelves remain largely unexplored and the icy interiors of moons like Europa and Enceladus have never been directly observed. Our understanding of these entities thus relies on numerical simulation, and the efficacy of their incorporation into larger systems models is dependent on the accuracy of these initial simulations. One characteristic of seawater, likely shared by the oceans of icy moons, is that it is a solution. As such, when it is frozen a majority of the solute is rejected from the forming ice, concentrating in interstitial pockets and channels, producing a two-component reactive porous media known as a mushy layer. The multiphase nature of this layer affects the evolution and dynamics of the overlying ice mass. Additionally ice can form in the water column and accrete onto the basal surface of these ice masses via buoyancy driven sedimentation as frazil or platelet ice. Numerical models hoping to accurately represent ice-ocean interactions should include the multiphase behavior of these two phenomena. While models of sea ice have begun to incorporate multiphase physics into their capabilities, no models of ice shelves/shells explicitly account for the two-phase behavior of the ice-ocean interface. Here we present a 1D multiphase model of floating oceanic ice that includes parameterizations of both density driven advection within the `mushy layer' and buoyancy driven sedimentation. The model is validated against contemporary sea ice models and observational data. Environmental stresses such as supercooling and melting events will be discussed for terrestrial ice. The impact of fluid motion within the mushy layer on nutrient transport and habitability will be discussed. Results from the model's application to icy moon environments will be presented, highlighting ice shell composition, thickness, thermodynamics, and role in potential habitability.

Towards an avatar for deciphering the modes of three-phase interactions in lava lakes

NASA Astrophysics Data System (ADS)

Suckale, J.; Qin, Z.; Culha, C.; Lev, E.

2016-12-01

An avatar is the virtual representation of a character, system or idea. Here, we present progress towards building a numerical avatar for lava lakes that allows us to constrain the modes of multiphase interactions between crystals, gas, and magmatic fluid in the interior of lava lakes. We focus on lava lakes, because they expose the free surface of magma to direct observations. They hence offer a unique window into different regimes of the three-phase flow dynamics of crystals, gases, and melts in magmatic convection more generally. The multiphase interactions between crystals, gases and melt give rise to nonlinear and unstable behavior in magmatic systems and are hence key for understanding the behavior of the bulk magma, but are notoriously difficult to capture in numerical models. Our avatar approach solves the full set of governing equations entailing the momentum, mass, and energy balance for each of the three phases at the scale of individual crystals or bubble interfaces. It hence obviates the need for simplifying assumptions regarding the individual behavior of the three phases or their mutual coupling to achieve a minimally preconditioned virtual representation of a lava lake. To identify the multi-phase regime at depth, we compute the observational signatures of different multiphase regimes, both in terms of surface velocity and temperature distribution, and compare the computed synthetic data to observational surface data for lava lakes. We focus specifically on the lava lake dynamics at Mount Erebus, Antarctica, and Kīlauea, Hawai'i. These two lava lakes are particularly well observed, which presents a compelling opportunity for closely linking modeling and observations. The also exhibit notably different circulation patterns. We hypothesize that Erebus and Kīlauea highlight different mechanisms through which multiphase interactions alter magmatic convection and eruptive behavior in basaltic systems. We suggest that volumetric flow effects like bubble dynamics and spatially heterogeneous crystal retention may dominate the behavior at Erebus and that surface effects resulting primarily from the formation of a cool skin on top of the lake govern the dynamics observed at Kīlauea.

Coupling Hydraulic Fracturing Propagation and Gas Well Performance for Simulation of Production in Unconventional Shale Gas Reservoirs

NASA Astrophysics Data System (ADS)

Wang, C.; Winterfeld, P. H.; Wu, Y. S.; Wang, Y.; Chen, D.; Yin, C.; Pan, Z.

2014-12-01

Hydraulic fracturing combined with horizontal drilling has made it possible to economically produce natural gas from unconventional shale gas reservoirs. An efficient methodology for evaluating hydraulic fracturing operation parameters, such as fluid and proppant properties, injection rates, and wellhead pressure, is essential for the evaluation and efficient design of these processes. Traditional numerical evaluation and optimization approaches are usually based on simulated fracture properties such as the fracture area. In our opinion, a methodology based on simulated production data is better, because production is the goal of hydraulic fracturing and we can calibrate this approach with production data that is already known. This numerical methodology requires a fully-coupled hydraulic fracture propagation and multi-phase flow model. In this paper, we present a general fully-coupled numerical framework to simulate hydraulic fracturing and post-fracture gas well performance. This three-dimensional, multi-phase simulator focuses on: (1) fracture width increase and fracture propagation that occurs as slurry is injected into the fracture, (2) erosion caused by fracture fluids and leakoff, (3) proppant subsidence and flowback, and (4) multi-phase fluid flow through various-scaled anisotropic natural and man-made fractures. Mathematical and numerical details on how to fully couple the fracture propagation and fluid flow parts are discussed. Hydraulic fracturing and production operation parameters, and properties of the reservoir, fluids, and proppants, are taken into account. The well may be horizontal, vertical, or deviated, as well as open-hole or cemented. The simulator is verified based on benchmarks from the literature and we show its application by simulating fracture network (hydraulic and natural fractures) propagation and production data history matching of a field in China. We also conduct a series of real-data modeling studies with different combinations of hydraulic fracturing parameters and present the methodology to design these operations with feedback of simulated production data. The unified model aids in the optimization of hydraulic fracturing design, operations, and production.

Electrostatic twisted modes in multi-component dusty plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ayub, M. K.; National Centre for Physics, Shahdra Valley Road, Quaid-i-Azam University Campus, Islamabad 44000; Pohang University of Sciences and Technology, Pohang, Gyeongbuk 790-784

Various electrostatic twisted modes are re-investigated with finite orbital angular momentum in an unmagnetized collisionless multi-component dusty plasma, consisting of positive/negative charged dust particles, ions, and electrons. For this purpose, hydrodynamical equations are employed to obtain paraxial equations in terms of density perturbations, while assuming the Gaussian and Laguerre-Gaussian (LG) beam solutions. Specifically, approximated solutions for potential problem are studied by using the paraxial approximation and expressed the electric field components in terms of LG functions. The energy fluxes associated with these modes are computed and corresponding expressions for orbital angular momenta are derived. Numerical analyses reveal that radial/angular modemore » numbers as well as dust number density and dust charging states strongly modify the LG potential profiles attributed to different electrostatic modes. Our results are important for understanding particle transport and energy transfer due to wave excitations in multi-component dusty plasmas.« less

Predicting Microstructure and Microsegregation in Multicomponent Aluminum Alloys

NASA Astrophysics Data System (ADS)

Yan, Xinyan; Ding, Ling; Chen, ShuangLin; Xie, Fanyou; Chu, M.; Chang, Y. Austin

Accurate predictions of microstructure and microsegregation in metallic alloys are highly important for applications such as alloy design and process optimization. Restricted assumptions concerning the phase diagram could easily lead to erroneous predictions. The best approach is to couple microsegregation modeling with phase diagram computations. A newly developed numerical model for the prediction of microstructure and microsegregation in multicomponent alloys during dendritic solidification was introduced. The micromodel is directly coupled with phase diagram calculations using a user-friendly and robust phase diagram calculation engine-PANDAT. Solid state back diffusion, undercooling and coarsening effects are included in this model, and the experimentally measured cooling curves are used as the inputs to carry out the calculations. This model has been used to predict the microstructure and microsegregation in two multicomponent aluminum alloys, 2219 and 7050. The calculated values were confirmed using results obtained from directional solidification.

A Computational Model of Coupled Multiphase Flow and Geomechanics to Study Fault Slip and Induced Seismicity

NASA Astrophysics Data System (ADS)

Juanes, R.; Jha, B.

2014-12-01

The coupling between subsurface flow and geomechanical deformation is critical in the assessment of the environmental impacts of groundwater use, underground liquid waste disposal, geologic storage of carbon dioxide, and exploitation of shale gas reserves. In particular, seismicity induced by fluid injection and withdrawal has emerged as a central element of the scientific discussion around subsurface technologies that tap into water and energy resources. Here we present a new computational approach to model coupled multiphase flow and geomechanics of faulted reservoirs. We represent faults as surfaces embedded in a three-dimensional medium by using zero-thickness interface elements to accurately model fault slip under dynamically evolving fluid pressure and fault strength. We incorporate the effect of fluid pressures from multiphase flow in the mechanical stability of faults and employ a rigorous formulation of nonlinear multiphase geomechanics that is capable of handling strong capillary effects. We develop a numerical simulation tool by coupling a multiphase flow simulator with a mechanics simulator, using the unconditionally stable fixed-stress scheme for the sequential solution of two-way coupling between flow and geomechanics. We validate our modeling approach using several synthetic, but realistic, test cases that illustrate the onset and evolution of earthquakes from fluid injection and withdrawal. We also present the application of the coupled flow-geomechanics simulation technology to the post mortem analysis of the Mw=5.1, May 2011 Lorca earthquake in south-east Spain, and assess the potential that the earthquake was induced by groundwater extraction.

Direct Numerical Simulation of Low Capillary Number Pore Scale Flows

NASA Astrophysics Data System (ADS)

Esmaeilzadeh, S.; Soulaine, C.; Tchelepi, H.

2017-12-01

The arrangement of void spaces and the granular structure of a porous medium determines multiple macroscopic properties of the rock such as porosity, capillary pressure, and relative permeability. Therefore, it is important to study the microscopic structure of the reservoir pores and understand the dynamics of fluid displacements through them. One approach for doing this, is direct numerical simulation of pore-scale flow that requires a robust numerical tool for prediction of fluid dynamics and a detailed understanding of the physical processes occurring at the pore-scale. In pore scale flows with a low capillary number, Eulerian multiphase methods are well-known to produce additional vorticity close to the interface. This is mainly due to discretization errors which lead to an imbalance of capillary pressure and surface tension forces that causes unphysical spurious currents. At the pore scale, these spurious currents can become significantly stronger than the average velocity in the phases, and lead to unphysical displacement of the interface. In this work, we first investigate the capability of the algebraic Volume of Fluid (VOF) method in OpenFOAM for low capillary number pore scale flow simulations. Afterward, we compare VOF results with a Coupled Level-Set Volume of Fluid (CLSVOF) method and Iso-Advector method. It has been shown that the former one reduces the VOF's unphysical spurious currents in some cases, and both are known to capture interfaces sharper than VOF. As the conclusion, we will investigate that whether the use of CLSVOF or Iso-Advector will lead to less spurious velocities and more accurate results for capillary driven pore-scale multiphase flows or not. Keywords: Pore-scale multiphase flow, Capillary driven flows, Spurious currents, OpenFOAM

Methane hydrate induced permeability modification for multiphase flow in unsaturated porous media

NASA Astrophysics Data System (ADS)

Seol, Yongkoo; Kneafsey, Timothy J.

2011-08-01

An experimental study was performed using X-ray computed tomography (CT) scanning to capture three-dimensional (3-D) methane hydrate distributions and potential discrete flow pathways in a sand pack sample. A numerical study was also performed to develop and analyze empirical relations that describe the impacts of hydrate accumulation habits within pore space (e.g., pore filling or grain cementing) on multiphase fluid migration. In the experimental study, water was injected into a hydrate-bearing sand sample that was monitored using an X-ray CT scanner. The CT images were converted into numerical grid elements, providing intrinsic sample data including porosity and phase saturations. The impacts of hydrate accumulation were examined by adapting empirical relations into the flow simulations as additional relations governing the evolution of absolute permeability of hydrate bearing sediment with hydrate deposition. The impacts of pore space hydrate accumulation habits on fluid migration were examined by comparing numerical predictions with experimentally measured water saturation distributions and breakthrough curves. A model case with 3-D heterogeneous initial conditions (hydrate saturation, porosity, and water saturation) and pore body-preferred hydrate accumulations best captured water migration behavior through the hydrate-bearing sample observed in the experiment. In the best matching model, absolute permeability in the hydrate bearing sample does not decrease significantly with increasing hydrate saturation until hydrate saturation reaches about 40%, after which it drops rapidly, and complete blockage of flow through the sample can occur as hydrate accumulations approach 70%. The result highlights the importance of permeability modification due to hydrate accumulation habits when predicting multiphase flow through high-saturation, reservoir quality hydrate-bearing sediments.

Modelling multi-phase liquid-sediment scour and resuspension induced by rapid flows using Smoothed Particle Hydrodynamics (SPH) accelerated with a Graphics Processing Unit (GPU)

NASA Astrophysics Data System (ADS)

Fourtakas, G.; Rogers, B. D.

2016-06-01

A two-phase numerical model using Smoothed Particle Hydrodynamics (SPH) is applied to two-phase liquid-sediments flows. The absence of a mesh in SPH is ideal for interfacial and highly non-linear flows with changing fragmentation of the interface, mixing and resuspension. The rheology of sediment induced under rapid flows undergoes several states which are only partially described by previous research in SPH. This paper attempts to bridge the gap between the geotechnics, non-Newtonian and Newtonian flows by proposing a model that combines the yielding, shear and suspension layer which are needed to predict accurately the global erosion phenomena, from a hydrodynamics prospective. The numerical SPH scheme is based on the explicit treatment of both phases using Newtonian and the non-Newtonian Bingham-type Herschel-Bulkley-Papanastasiou constitutive model. This is supplemented by the Drucker-Prager yield criterion to predict the onset of yielding of the sediment surface and a concentration suspension model. The multi-phase model has been compared with experimental and 2-D reference numerical models for scour following a dry-bed dam break yielding satisfactory results and improvements over well-known SPH multi-phase models. With 3-D simulations requiring a large number of particles, the code is accelerated with a graphics processing unit (GPU) in the open-source DualSPHysics code. The implementation and optimisation of the code achieved a speed up of x58 over an optimised single thread serial code. A 3-D dam break over a non-cohesive erodible bed simulation with over 4 million particles yields close agreement with experimental scour and water surface profiles.

Monte Carlo methods and their analysis for Coulomb collisions in multicomponent plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bobylev, A.V., E-mail: alexander.bobylev@kau.se; Potapenko, I.F., E-mail: firena@yandex.ru

2013-08-01

Highlights: •A general approach to Monte Carlo methods for multicomponent plasmas is proposed. •We show numerical tests for the two-component (electrons and ions) case. •An optimal choice of parameters for speeding up the computations is discussed. •A rigorous estimate of the error of approximation is proved. -- Abstract: A general approach to Monte Carlo methods for Coulomb collisions is proposed. Its key idea is an approximation of Landau–Fokker–Planck equations by Boltzmann equations of quasi-Maxwellian kind. It means that the total collision frequency for the corresponding Boltzmann equation does not depend on the velocities. This allows to make the simulation processmore » very simple since the collision pairs can be chosen arbitrarily, without restriction. It is shown that this approach includes the well-known methods of Takizuka and Abe (1977) [12] and Nanbu (1997) as particular cases, and generalizes the approach of Bobylev and Nanbu (2000). The numerical scheme of this paper is simpler than the schemes by Takizuka and Abe [12] and by Nanbu. We derive it for the general case of multicomponent plasmas and show some numerical tests for the two-component (electrons and ions) case. An optimal choice of parameters for speeding up the computations is also discussed. It is also proved that the order of approximation is not worse than O(√(ε)), where ε is a parameter of approximation being equivalent to the time step Δt in earlier methods. A similar estimate is obtained for the methods of Takizuka and Abe and Nanbu.« less

TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, T.; Spycher, N.; Sonnenthal, E.

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 themore » 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.« less

Multiphase mean curvature flows with high mobility contrasts: A phase-field approach, with applications to nanowires

NASA Astrophysics Data System (ADS)

Bretin, Elie; Danescu, Alexandre; Penuelas, José; Masnou, Simon

2018-07-01

The structure of many multiphase systems is governed by an energy that penalizes the area of interfaces between phases weighted by surface tension coefficients. However, interface evolution laws depend also on interface mobility coefficients. Having in mind some applications where highly contrasted or even degenerate mobilities are involved, for which classical phase field models are inapplicable, we propose a new effective phase field approach to approximate multiphase mean curvature flows with mobilities. The key aspect of our model is to incorporate the mobilities not in the phase field energy (which is conventionally the case) but in the metric which determines the gradient flow. We show the consistency of such an approach by a formal analysis of the sharp interface limit. We also propose an efficient numerical scheme which allows us to illustrate the advantages of the model on various examples, as the wetting of droplets on solid surfaces or the simulation of nanowires growth generated by the so-called vapor-liquid-solid method.

Nonaqueous Phase Liquid Dissolution in Porous Media: Multi-Scale Effects of Multi-Component Dissolution Kinetics on Cleanup Time

DOE Office of Scientific and Technical Information (OSTI.GOV)

McNab, W; Ezzedine, S; Detwiler, R

2007-02-26

Industrial organic solvents such as trichloroethylene (TCE) and tetrachloroethylene (PCE) constitute a principal class of groundwater contaminants. Cleanup of groundwater plume source areas associated with these compounds is problematic, in part, because the compounds often exist in the subsurface as dense nonaqueous phase liquids (DNAPLs). Ganglia (or 'blobs') of DNAPL serve as persistent sources of contaminants that are difficult to locate and remediate (e.g. Fenwick and Blunt, 1998). Current understanding of the physical and chemical processes associated with dissolution of DNAPLs in the subsurface is incomplete and yet is critical for evaluating long-term behavior of contaminant migration, groundwater cleanup, andmore » the efficacy of source area cleanup technologies. As such, a goal of this project has been to contribute to this critical understanding by investigating the multi-phase, multi-component physics of DNAPL dissolution using state-of-the-art experimental and computational techniques. Through this research, we have explored efficient and accurate conceptual and numerical models for source area contaminant transport that can be used to better inform the modeling of source area contaminants, including those at the LLNL Superfund sites, to re-evaluate existing remediation technologies, and to inspire or develop new remediation strategies. The problem of DNAPL dissolution in natural porous media must be viewed in the context of several scales (Khachikian and Harmon, 2000), including the microscopic level at which capillary forces, viscous forces, and gravity/buoyancy forces are manifested at the scale of individual pores (Wilson and Conrad, 1984; Chatzis et al., 1988), the mesoscale where dissolution rates are strongly influenced by the local hydrodynamics, and the field-scale. Historically, the physico-chemical processes associated with DNAPL dissolution have been addressed through the use of lumped mass transfer coefficients which attempt to quantify the dissolution rate in response to local dissolved-phase concentrations distributed across the source area using a volume-averaging approach (Figure 1). The fundamental problem with the lumped mass transfer parameter is that its value is typically derived empirically through column-scale experiments that combine the effects of pore-scale flow, diffusion, and pore-scale geometry in a manner that does not provide a robust theoretical basis for upscaling. In our view, upscaling processes from the pore-scale to the field-scale requires new computational approaches (Held and Celia, 2001) that are directly linked to experimental studies of dissolution at the pore scale. As such, our investigation has been multi-pronged, combining theory, experiments, numerical modeling, new data analysis approaches, and a synthesis of previous studies (e.g. Glass et al, 2001; Keller et al., 2002) aimed at quantifying how the mechanisms controlling dissolution at the pore-scale control the long-term dissolution of source areas at larger scales.« less

High altitude chemically reacting gas particle mixtures. Volume 1: A theoretical analysis and development of the numerical solution. [rocket nozzle and orbital plume flow fields

NASA Technical Reports Server (NTRS)

Smith, S. D.

1984-01-01

The overall contractual effort and the theory and numerical solution for the Reacting and Multi-Phase (RAMP2) computer code are described. The code can be used to model the dominant phenomena which affect the prediction of liquid and solid rocket nozzle and orbital plume flow fields. Fundamental equations for steady flow of reacting gas-particle mixtures, method of characteristics, mesh point construction, and numerical integration of the conservation equations are considered herein.

Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculations

NASA Astrophysics Data System (ADS)

Leal, Allan M. M.; Kulik, Dmitrii A.; Kosakowski, Georg

2016-02-01

We present a numerical method for multiphase chemical equilibrium calculations based on a Gibbs energy minimization approach. The method can accurately and efficiently determine the stable phase assemblage at equilibrium independently of the type of phases and species that constitute the chemical system. We have successfully applied our chemical equilibrium algorithm in reactive transport simulations to demonstrate its effective use in computationally intensive applications. We used FEniCS to solve the governing partial differential equations of mass transport in porous media using finite element methods in unstructured meshes. Our equilibrium calculations were benchmarked with GEMS3K, the numerical kernel of the geochemical package GEMS. This allowed us to compare our results with a well-established Gibbs energy minimization algorithm, as well as their performance on every mesh node, at every time step of the transport simulation. The benchmark shows that our novel chemical equilibrium algorithm is accurate, robust, and efficient for reactive transport applications, and it is an improvement over the Gibbs energy minimization algorithm used in GEMS3K. The proposed chemical equilibrium method has been implemented in Reaktoro, a unified framework for modeling chemically reactive systems, which is now used as an alternative numerical kernel of GEMS.

Criteria for Modeling in LES of Multicomponent Fuel Flow

NASA Technical Reports Server (NTRS)

Bellan, Josette; Selle, Laurent

2009-01-01

A report presents a study addressing the question of which large-eddy simulation (LES) equations are appropriate for modeling the flow of evaporating drops of a multicomponent liquid in a gas (e.g., a spray of kerosene or diesel fuel in air). The LES equations are obtained from the direct numerical simulation (DNS) equations in which the solution is computed at all flow length scales, by applying a spatial low-pass filter. Thus, in LES the small scales are removed and replaced by terms that cannot be computed from the LES solution and instead must be modeled to retain the effect of the small scales into the equations. The mathematical form of these models is a subject of contemporary research. For a single-component liquid, there is only one LES formulation, but this study revealed that for a multicomponent liquid, there are two non-equivalent LES formulations for the conservation equations describing the composition of the vapor. Criteria were proposed for selecting the multicomponent LES formulation that gives the best accuracy and increased computational efficiency. These criteria were applied in examination of filtered DNS databases to compute the terms in the LES equations. The DNS databases are from mixing layers of diesel and kerosene fuels. The comparisons resulted in the selection of one of the multicomponent LES formulations as the most promising with respect to all criteria.

A new statistical model for subgrid dispersion in large eddy simulations of particle-laden flows

NASA Astrophysics Data System (ADS)

Muela, Jordi; Lehmkuhl, Oriol; Pérez-Segarra, Carles David; Oliva, Asensi

2016-09-01

Dispersed multiphase turbulent flows are present in many industrial and commercial applications like internal combustion engines, turbofans, dispersion of contaminants, steam turbines, etc. Therefore, there is a clear interest in the development of models and numerical tools capable of performing detailed and reliable simulations about these kind of flows. Large Eddy Simulations offer good accuracy and reliable results together with reasonable computational requirements, making it a really interesting method to develop numerical tools for particle-laden turbulent flows. Nonetheless, in multiphase dispersed flows additional difficulties arises in LES, since the effect of the unresolved scales of the continuous phase over the dispersed phase is lost due to the filtering procedure. In order to solve this issue a model able to reconstruct the subgrid velocity seen by the particles is required. In this work a new model for the reconstruction of the subgrid scale effects over the dispersed phase is presented and assessed. This innovative methodology is based in the reconstruction of statistics via Probability Density Functions (PDFs).

Numerical modeling of the early interaction of a planar shock with a dense particle field

NASA Astrophysics Data System (ADS)

Regele, Jonathan; Blanquart, Guillaume

2011-11-01

Dense compressible multiphase flows are of interest for multiphase turbomachinary and energetic material detonations. Still, there is little understanding of the detailed interaction mechanisms between shock waves and dense (particle volume fraction αd > 0 . 001) particle fields. A recent experimental study [Wagner et al, AIAA Aero. Sci., Orlando, 2011-188] has focused on the impingement of a planar shock wave on a dense particle curtain. In the present work, numerical solutions of the Euler equations in one and two dimensions are performed for a planar shock wave impinging on a fixed particle curtain and are compared to the experimental data for early times. Comparison of the one- and two-dimensional results demonstrate that the one-dimensional description captures the large scale flow behavior, but is inadequate to capture all the details observed in the experiments. The two-dimensional solutions are shown to reproduce the experimentally observed flow structures and provide insight into how these details originate.

An incompressible two-dimensional multiphase particle-in-cell model for dense particle flows

DOE Office of Scientific and Technical Information (OSTI.GOV)

Snider, D.M.; O`Rourke, P.J.; Andrews, M.J.

1997-06-01

A two-dimensional, incompressible, multiphase particle-in-cell (MP-PIC) method is presented for dense particle flows. The numerical technique solves the governing equations of the fluid phase using a continuum model and those of the particle phase using a Lagrangian model. Difficulties associated with calculating interparticle interactions for dense particle flows with volume fractions above 5% have been eliminated by mapping particle properties to a Eulerian grid and then mapping back computed stress tensors to particle positions. This approach utilizes the best of Eulerian/Eulerian continuum models and Eulerian/Lagrangian discrete models. The solution scheme allows for distributions of types, sizes, and density of particles,more » with no numerical diffusion from the Lagrangian particle calculations. The computational method is implicit with respect to pressure, velocity, and volume fraction in the continuum solution thus avoiding courant limits on computational time advancement. MP-PIC simulations are compared with one-dimensional problems that have analytical solutions and with two-dimensional problems for which there are experimental data.« less

TOGA: A TOUGH code for modeling three-phase, multi-component, and non-isothermal processes involved in CO 2-based Enhanced Oil Recovery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Lehua; Oldenburg, Curtis M.

TOGA is a numerical reservoir simulator for modeling non-isothermal flow and transport of water, CO 2, multicomponent oil, and related gas components for applications including CO 2-enhanced oil recovery (CO 2-EOR) and geologic carbon sequestration in depleted oil and gas reservoirs. TOGA uses an approach based on the Peng-Robinson equation of state (PR-EOS) to calculate the thermophysical properties of the gas and oil phases including the gas/oil components dissolved in the aqueous phase, and uses a mixing model to estimate the thermophysical properties of the aqueous phase. The phase behavior (e.g., occurrence and disappearance of the three phases, gas +more » oil + aqueous) and the partitioning of non-aqueous components (e.g., CO 2, CH 4, and n-oil components) between coexisting phases are modeled using K-values derived from assumptions of equal-fugacity that have been demonstrated to be very accurate as shown by comparison to measured data. Models for saturated (water) vapor pressure and water solubility (in the oil phase) are used to calculate the partitioning of the water (H 2O) component between the gas and oil phases. All components (e.g., CO 2, H 2O, and n hydrocarbon components) are allowed to be present in all phases (aqueous, gaseous, and oil). TOGA uses a multiphase version of Darcy’s Law to model flow and transport through porous media of mixtures with up to three phases over a range of pressures and temperatures appropriate to hydrocarbon recovery and geologic carbon sequestration systems. Transport of the gaseous and dissolved components is by advection and Fickian molecular diffusion. New methods for phase partitioning and thermophysical property modeling in TOGA have been validated against experimental data published in the literature for describing phase partitioning and phase behavior. Flow and transport has been verified by testing against related TOUGH2 EOS modules and CMG. The code has also been validated against a CO 2-EOR experimental core flood involving flow of three phases and 12 components. Results of simulations of a hypothetical 3D CO 2-EOR problem involving three phases and multiple components are presented to demonstrate the field-scale capabilities of the new code. This user guide provides instructions for use and sample problems for verification and demonstration.« less

CHARACTERIZATION AND REMEDIATION TECHNOLOGIES FOR LIGHT NONAQUEOUS PHASE LIQUIDS

EPA Science Inventory

Light nonaqueous phase liquids (LNAPLs), principally petroleum products, affect ground-water quality at numerous sites across this country and throughout the world. Petroleum products are typically multi-component organic mixtures composed of chemicals with a wide range of solubi...

Multiphase Equations of State for Polymer Materials at High Dynamic Pressures

NASA Astrophysics Data System (ADS)

Khishchenko, Konstantin V.

2015-06-01

Equations of state for materials over a wide range of pressures and temperatures are necessary for numerical simulations of shock-wave processes in condensed matter. Accuracy of calculation results is determined mainly by adequacy of equation of state of a medium. In this work, a new multiphase equation-of-state model is proposed with taking into account the polymorphic phase transformations, melting and evaporation. Thermodynamic calculations are carried out for 2 polymer materials (polymethylmethacrylate and polytetrafluoroethylene) in a broad region of the phase diagram. Obtained results are presented in comparison with available data of experiments at high dynamic pressures in shock and release waves. This work is supported by RSF, Grant 14-50-00124.

Self-wrapping of an ouzo drop induced by evaporation on a superamphiphobic surface.

PubMed

Tan, Huanshu; Diddens, Christian; Versluis, Michel; Butt, Hans-Jürgen; Lohse, Detlef; Zhang, Xuehua

2017-04-12

Evaporation of multi-component drops is crucial to various technologies and has numerous potential applications because of its ubiquity in nature. Superamphiphobic surfaces, which are both superhydrophobic and superoleophobic, can give a low wettability not only for water drops but also for oil drops. In this paper, we experimentally, numerically and theoretically investigate the evaporation process of millimetric sessile ouzo drops (a transparent mixture of water, ethanol, and trans-anethole) with low wettability on a superamphiphobic surface. The evaporation-triggered ouzo effect, i.e. the spontaneous emulsification of oil microdroplets below a specific ethanol concentration, preferentially occurs at the apex of the drop due to the evaporation flux distribution and volatility difference between water and ethanol. This observation is also reproduced by numerical simulations. The volume decrease of the ouzo drop is characterized by two distinct slopes. The initial steep slope is dominantly caused by the evaporation of ethanol, followed by the slower evaporation of water. At later stages, thanks to Marangoni forces the oil wraps around the drop and an oil shell forms. We propose an approximate diffusion model for the drying characteristics, which predicts the evaporation of the drops in agreement with experiment and numerical simulation results. This work provides an advanced understanding of the evaporation process of ouzo (multi-component) drops.

A free energy-based surface tension force model for simulation of multiphase flows by level-set method

NASA Astrophysics Data System (ADS)

Yuan, H. Z.; Chen, Z.; Shu, C.; Wang, Y.; Niu, X. D.; Shu, S.

2017-09-01

In this paper, a free energy-based surface tension force (FESF) model is presented for accurately resolving the surface tension force in numerical simulation of multiphase flows by the level set method. By using the analytical form of order parameter along the normal direction to the interface in the phase-field method and the free energy principle, FESF model offers an explicit and analytical formulation for the surface tension force. The only variable in this formulation is the normal distance to the interface, which can be substituted by the distance function solved by the level set method. On one hand, as compared to conventional continuum surface force (CSF) model in the level set method, FESF model introduces no regularized delta function, due to which it suffers less from numerical diffusions and performs better in mass conservation. On the other hand, as compared to the phase field surface tension force (PFSF) model, the evaluation of surface tension force in FESF model is based on an analytical approach rather than numerical approximations of spatial derivatives. Therefore, better numerical stability and higher accuracy can be expected. Various numerical examples are tested to validate the robustness of the proposed FESF model. It turns out that FESF model performs better than CSF model and PFSF model in terms of accuracy, stability, convergence speed and mass conservation. It is also shown in numerical tests that FESF model can effectively simulate problems with high density/viscosity ratio, high Reynolds number and severe topological interfacial changes.

Separation Potential for Multicomponent Mixtures: State-of-the Art of the Problem

NASA Astrophysics Data System (ADS)

Sulaberidze, G. A.; Borisevich, V. D.; Smirnov, A. Yu.

2017-03-01

Various approaches used in introducing a separation potential (value function) for multicomponent mixtures have been analyzed. It has been shown that all known potentials do not satisfy the Dirac-Peierls axioms for a binary mixture of uranium isotopes, which makes their practical application difficult. This is mainly due to the impossibility of constructing a "standard" cascade, whose role in the case of separation of binary mixtures is played by the ideal cascade. As a result, the only universal search method for optimal parameters of the separation cascade is their numerical optimization by the criterion of the minimum number of separation elements in it.

Numerical simulation of cavitation flow characteristic on Pelton turbine bucket surface

NASA Astrophysics Data System (ADS)

Zeng, C. J.; Xiao, Y. X.; Zhu, W.; Yao, Y. Y.; Wang, Z. W.

2015-01-01

The internal flow in the rotating bucket of Pelton turbine is free water sheet flow with moving boundary. The runner operates under atmospheric and the cavitation in the bucket is still a controversial problem. While more and more field practice proved that there exists cavitation in the Pelton turbine bucket and the cavitation erosion may occur at the worst which will damage the bucket. So a well prediction about the cavitation flow on the bucket surface of Pelton turbine and the followed cavitation erosion characteristic can effectively guide the optimization of Pelton runner bucket and the stable operation of unit. This paper will investigate the appropriate numerical model and method for the unsteady 3D water-air-vapour multiphase cavitation flow which may occur on the Pelton bucket surface. The computational domain will include the nozzle pipe flow, semi-free surface jet and runner domain. Via comparing the numerical results of different turbulence, cavity and multiphase models, this paper will determine the suitable numerical model and method for the simulation of cavitation on the Pelton bucket surface. In order to investigate the conditions corresponding to the cavitation phenomena on the bucket surface, this paper will adopt the suitable model to simulate the various operational conditions of different water head and needle travel. Then, the characteristics of cavitation flow the development process of cavitation will be analysed in in great detail.

Simulation of Subsurface Multiphase Contaminant Extraction Using a Bioslurping Well Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matos de Souza, Michelle; Oostrom, Mart; White, Mark D.

2016-07-12

Subsurface simulation of multiphase extraction from wells is notoriously difficult. Explicit representation of well geometry requires small grid resolution, potentially leading to large computational demands. To reduce the problem dimensionality, multiphase extraction is mostly modeled using vertically-averaged approaches. In this paper, a multiphase well model approach is presented as an alternative to simplify the application. The well model, a multiphase extension of the classic Peaceman model, has been implemented in the STOMP simulator. The numerical solution approach accounts for local conditions and gradients in the exchange of fluids between the well and the aquifer. Advantages of this well model implementationmore » include the option to simulate the effects of well characteristics and operation. Simulations were conducted investigating the effects of extraction location, applied vacuum pressure, and a number of hydraulic properties. The obtained results were all consistent and logical. A major outcome of the test simulations is that, in contrast with common recommendations to extract from either the gas-NAPL or the NAPL-aqueous phase interface, the optimum extraction location should be in between these two levels. The new model implementation was also used to simulate extraction at a field site in Brazil. The simulation shows a good match with the field data, suggesting that the new STOMP well module may correctly represent oil removal. The field simulations depend on the quality of the site conceptual model, including the porous media and contaminant properties and the boundary and extraction conditions adopted. The new module may potentially be used to design field applications and analyze extraction data.« less

Laboratory Scale Experiments and Numerical Modeling of Cosolvent flushing of NAPL Mixtures in Saturated Porous Media

NASA Astrophysics Data System (ADS)

Agaoglu, B.; Scheytt, T. J.; Copty, N. K.

2011-12-01

This study examines the mechanistic processes governing multiphase flow of a water-cosolvent-NAPL system in saturated porous media. Laboratory batch and column flushing experiments were conducted to determine the equilibrium properties of pure NAPL and synthetically prepared NAPL mixtures as well as NAPL recovery mechanisms for different water-ethanol contents. The effect of contact time was investigated by considering different steady and intermittent flow velocities. A modified version of multiphase flow simulator (UTCHEM) was used to compare the multiphase model simulations with the column experiment results. The effect of employing different grid geometries (1D, 2D, 3D), heterogeneity and different initial NAPL saturation configurations were also examined in the model. It is shown that the change in velocity affects the mass transfer rate between phases as well as the ultimate NAPL recovery percentage. The experiments with slow flow rate flushing of pure NAPL and the 3D UTCHEM simulations gave similar effluent concentrations and NAPL cumulative recoveries. The results were less consistent for fast non-equilibrium flow conditions. The dissolution process from the NAPL mixture into the water-ethanol flushing solutions was found to be more complex than dissolution expressions incorporated in the numerical model. The dissolution rate of individual organic compounds (namely Toluene and Benzene) from a mixture NAPL into the ethanol-water flushing solution is found not to correlate with their equilibrium solubility values.The implications of this controlled experimental and modeling study on field cosolvent remediation applications are discussed.

Numerical investigation of coupled density-driven flow and hydrogeochemical processes below playas

NASA Astrophysics Data System (ADS)

Hamann, Enrico; Post, Vincent; Kohfahl, Claus; Prommer, Henning; Simmons, Craig T.

2015-11-01

Numerical modeling approaches with varying complexity were explored to investigate coupled groundwater flow and geochemical processes in saline basins. Long-term model simulations of a playa system gain insights into the complex feedback mechanisms between density-driven flow and the spatiotemporal patterns of precipitating evaporites and evolving brines. Using a reactive multicomponent transport model approach, the simulations reproduced, for the first time in a numerical study, the evaporite precipitation sequences frequently observed in saline basins ("bull's eyes"). Playa-specific flow, evapoconcentration, and chemical divides were found to be the primary controls for the location of evaporites formed, and the resulting brine chemistry. Comparative simulations with the computationally far less demanding surrogate single-species transport models showed that these were still able to replicate the major flow patterns obtained by the more complex reactive transport simulations. However, the simulated degree of salinization was clearly lower than in reactive multicomponent transport simulations. For example, in the late stages of the simulations, when the brine becomes halite-saturated, the nonreactive simulation overestimated the solute mass by almost 20%. The simulations highlight the importance of the consideration of reactive transport processes for understanding and quantifying geochemical patterns, concentrations of individual dissolved solutes, and evaporite evolution.

An efficient numerical model for multicomponent compressible flow in fractured porous media

NASA Astrophysics Data System (ADS)

Zidane, Ali; Firoozabadi, Abbas

2014-12-01

An efficient and accurate numerical model for multicomponent compressible single-phase flow in fractured media is presented. The discrete-fracture approach is used to model the fractures where the fracture entities are described explicitly in the computational domain. We use the concept of cross flow equilibrium in the fractures. This will allow large matrix elements in the neighborhood of the fractures and considerable speed up of the algorithm. We use an implicit finite volume (FV) scheme to solve the species mass balance equation in the fractures. This step avoids the use of Courant-Freidricks-Levy (CFL) condition and contributes to significant speed up of the code. The hybrid mixed finite element method (MFE) is used to solve for the velocity in both the matrix and the fractures coupled with the discontinuous Galerkin (DG) method to solve the species transport equations in the matrix. Four numerical examples are presented to demonstrate the robustness and efficiency of the proposed model. We show that the combination of the fracture cross-flow equilibrium and the implicit composition calculation in the fractures increase the computational speed 20-130 times in 2D. In 3D, one may expect even a higher computational efficiency.

Critical transport issues for improving the performance of aqueous redox flow batteries

NASA Astrophysics Data System (ADS)

Zhou, X. L.; Zhao, T. S.; An, L.; Zeng, Y. K.; Wei, L.

2017-01-01

As the fraction of electricity generated from intermittent renewable sources (such as solar and wind) grows, developing reliable energy storage technologies to store electrical energy in large scale is of increasing importance. Redox flow batteries are now enjoying a renaissance and regarded as a leading technology in providing a well-balanced solution for current daunting challenges. In this article, state-of-the-art studies of the complex multicomponent transport phenomena in aqueous redox flow batteries, with a special emphasis on all-vanadium redox flow batteries, are reviewed and summarized. Rather than elaborating on the details of previous experimental and numerical investigations, this article highlights: i) the key transport issues in each battery's component that need to be tackled so that the rate capability and cycling stability of flow batteries can be significantly improved, ii) the basic mechanisms that control the active species/ion/electron transport behaviors in each battery's component, and iii) the key experimental and numerical findings regarding the correlations between the multicomponent transport processes and battery performance.

Study of blood flow in several benchmark micro-channels using a two-fluid approach

PubMed Central

Wu, Wei-Tao; Yang, Fang; Antaki, James F.; Aubry, Nadine; Massoudi, Mehrdad

2015-01-01

It is known that in a vessel whose characteristic dimension (e.g., its diameter) is in the range of 20 to 500 microns, blood behaves as a non-Newtonian fluid, exhibiting complex phenomena, such as shear-thinning, stress relaxation, and also multi-component behaviors, such as the Fahraeus effect, plasma-skimming, etc. For describing these non-Newtonian and multi-component characteristics of blood, using the framework of mixture theory, a two-fluid model is applied, where the plasma is treated as a Newtonian fluid and the red blood cells (RBCs) are treated as shear-thinning fluid. A computational fluid dynamic (CFD) simulation incorporating the constitutive model was implemented using OpenFOAM® in which benchmark problems including a sudden expansion and various driven slots and crevices were studied numerically. The numerical results exhibited good agreement with the experimental observations with respect to both the velocity field and the volume fraction distribution of RBCs. PMID:26240438

An implicit numerical model for multicomponent compressible two-phase flow in porous media

NASA Astrophysics Data System (ADS)

Zidane, Ali; Firoozabadi, Abbas

2015-11-01

We introduce a new implicit approach to model multicomponent compressible two-phase flow in porous media with species transfer between the phases. In the implicit discretization of the species transport equation in our formulation we calculate for the first time the derivative of the molar concentration of component i in phase α (cα, i) with respect to the total molar concentration (ci) under the conditions of a constant volume V and temperature T. The species transport equation is discretized by the finite volume (FV) method. The fluxes are calculated based on powerful features of the mixed finite element (MFE) method which provides the pressure at grid-cell interfaces in addition to the pressure at the grid-cell center. The efficiency of the proposed model is demonstrated by comparing our results with three existing implicit compositional models. Our algorithm has low numerical dispersion despite the fact it is based on first-order space discretization. The proposed algorithm is very robust.

Effect of Substrate Wetting on the Morphology and Dynamics of Phase Separating Multi-Component Mixture

NASA Astrophysics Data System (ADS)

Goyal, Abheeti; Toschi, Federico; van der Schoot, Paul

2017-11-01

We study the morphological evolution and dynamics of phase separation of multi-component mixture in thin film constrained by a substrate. Specifically, we have explored the surface-directed spinodal decomposition of multicomponent mixture numerically by Free Energy Lattice Boltzmann (LB) simulations. The distinguishing feature of this model over the Shan-Chen (SC) model is that we have explicit and independent control over the free energy functional and EoS of the system. This vastly expands the ambit of physical systems that can be realistically simulated by LB simulations. We investigate the effect of composition, film thickness and substrate wetting on the phase morphology and the mechanism of growth in the vicinity of the substrate. The phase morphology and averaged size in the vicinity of the substrate fluctuate greatly due to the wetting of the substrate in both the parallel and perpendicular directions. Additionally, we also describe how the model presented here can be extended to include an arbitrary number of fluid components.

Forecasting production in Liquid Rich Shale plays

NASA Astrophysics Data System (ADS)

Nikfarman, Hanieh

Production from Liquid Rich Shale (LRS) reservoirs is taking center stage in the exploration and production of unconventional reservoirs. Production from the low and ultra-low permeability LRS plays is possible only through multi-fractured horizontal wells (MFHW's). There is no existing workflow that is applicable to forecasting multi-phase production from MFHW's in LRS plays. This project presents a practical and rigorous workflow for forecasting multiphase production from MFHW's in LRS reservoirs. There has been much effort in developing workflows and methodology for forecasting in tight/shale plays in recent years. The existing workflows, however, are applicable only to single phase flow, and are primarily used in shale gas plays. These methodologies do not apply to the multi-phase flow that is inevitable in LRS plays. To account for complexities of multiphase flow in MFHW's the only available technique is dynamic modeling in compositional numerical simulators. These are time consuming and not practical when it comes to forecasting production and estimating reserves for a large number of producers. A workflow was developed, and validated by compositional numerical simulation. The workflow honors physics of flow, and is sufficiently accurate while practical so that an analyst can readily apply it to forecast production and estimate reserves in a large number of producers in a short period of time. To simplify the complex multiphase flow in MFHW, the workflow divides production periods into an initial period where large production and pressure declines are expected, and the subsequent period where production decline may converge into a common trend for a number of producers across an area of interest in the field. Initial period assumes the production is dominated by single-phase flow of oil and uses the tri-linear flow model of Erdal Ozkan to estimate the production history. Commercial software readily available can simulate flow and forecast production in this period. In the subsequent Period, dimensionless rate and dimensionless time functions are introduced that help identify transition from initial period into subsequent period. The production trends in terms of the dimensionless parameters converge for a range of rock permeability and stimulation intensity. This helps forecast production beyond transition to the end of life of well. This workflow is applicable to single fluid system.

A Parallel Stochastic Framework for Reservoir Characterization and History Matching

DOE PAGES

Thomas, Sunil G.; Klie, Hector M.; Rodriguez, Adolfo A.; ...

2011-01-01

The spatial distribution of parameters that characterize the subsurface is never known to any reasonable level of accuracy required to solve the governing PDEs of multiphase flow or species transport through porous media. This paper presents a numerically cheap, yet efficient, accurate and parallel framework to estimate reservoir parameters, for example, medium permeability, using sensor information from measurements of the solution variables such as phase pressures, phase concentrations, fluxes, and seismic and well log data. Numerical results are presented to demonstrate the method.

Multidimensional directional flux weighted upwind scheme for multiphase flow modeling in heterogeneous porous media

NASA Astrophysics Data System (ADS)

Jin, G.

2012-12-01

Multiphase flow modeling is an important numerical tool for a better understanding of transport processes in the fields including, but not limited to, petroleum reservoir engineering, remedy of ground water contamination, and risk evaluation of greenhouse gases such as CO2 injected into deep saline reservoirs. However, accurate numerical modeling for multiphase flow remains many challenges that arise from the inherent tight coupling and strong non-linear nature of the governing equations and the highly heterogeneous media. The existence of counter current flow which is caused by the effect of adverse relative mobility contrast and gravitational and capillary forces will introduce additional numerical instability. Recently multipoint flux approximation (MPFA) has become a subject of extensive research and has been demonstrated with great success in reducing considerable grid orientation effects compared to the conventional single point upstream (SPU) weighting scheme, especially in higher dimensions. However, the present available MPFA schemes are mathematically targeted to certain types of grids in two dimensions, a more general form of MPFA scheme is needed for both 2-D and 3-D problems. In this work a new upstream weighting scheme based on multipoint directional incoming fluxes is proposed which incorporates full permeability tensor to account for the heterogeneity of the porous media. First, the multiphase governing equations are decoupled into an elliptic pressure equation and a hyperbolic or parabolic saturation depends on whether the gravitational and capillary pressures are presented or not. Next, a dual secondary grid (called finite volume grid) is formulated from a primary grid (called finite element grid) to create interaction regions for each grid cell over the entire simulation domain. Such a discretization must ensure the conservation of mass and maintain the continuity of the Darcy velocity across the boundaries between neighboring interaction regions. The pressure field is then implicitly calculated from the pressure equation, which in turn results in the derived velocity field for directional flux calculation at each grid node. Directional flux at the center of each interaction surface is also calculated by interpolation from the element nodal fluxes using shape functions. The MPFA scheme is performed by a specific linear combination of all incoming fluxes into the upstream cell represented by either nodal fluxes or interpolated surface boundary fluxes to produce an upwind directional fluxed weighted relative mobility at the center of the interaction region boundary. Such an upwind weighted relative mobility is then used for calculating the saturations of each fluid phase explicitly. The proposed upwind weighting scheme has been implemented into a mixed finite element-finite volume (FE-FV) method, which allows for handling complex reservoir geometry with second-order accuracies in approximating primary variables. The numerical solver has been tested with several bench mark test problems. The application of the proposed scheme to migration path analysis of CO2 injected into deep saline reservoirs in 3-D has demonstrated its ability and robustness in handling multiphase flow with adverse mobility contrast in highly heterogeneous porous media.

Multiphase simulation of blood flow within main thoracic arteries of 8-year-old child with coarctation of the aorta

NASA Astrophysics Data System (ADS)

Melka, Bartlomiej; Gracka, Maria; Adamczyk, Wojciech; Rojczyk, Marek; Golda, Adam; Nowak, Andrzej J.; Białecki, Ryszard A.; Ostrowski, Ziemowit

2017-08-01

In the research, a numerical Computational Fluid Dynamics (CFD) model of the pulsatile blood flow was created and analysed. A real geometry of aorta and its thoracic branches of an 8-year old patient diagnosed with a congenital heart defect - coarctation of the aorta was used. The inlet boundary condition was implemented as the User Define Function according to measured values of volumetric blood flow. The blood flow was treated as multiphase using Euler-Euler approach. Plasma was set as the primary and dominant fluid phase, with the volume fraction of 0.585. The morphological elements (RBC and WBC) were set as dispersed phases being the remaining volume fraction.

Atomization simulations using an Eulerian-VOF-Lagrangian method

NASA Technical Reports Server (NTRS)

Chen, Yen-Sen; Shang, Huan-Min; Liaw, Paul; Chen, C. P.

1994-01-01

This paper summarizes the technical development and validation of a multiphase computational fluid dynamics (CFD) numerical method using the volume-of-fluid (VOF) model and a Lagrangian tracking model which can be employed to analyze general multiphase flow problems with free surface mechanism. The gas-liquid interface mass, momentum and energy conservations are modeled by continuum surface mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed flow regimes. The objectives of the present study are to develop and verify the fractional volume-of-fluid cell partitioning approach into a predictor-corrector algorithm and to demonstrate the effectiveness of the present innovative approach by simulating benchmark problems including the coaxial jet atomization.

Nonequilibrium capillarity effects in multiphase flow through small volume fractured porous media

NASA Astrophysics Data System (ADS)

Tang, M.; Zhan, H.; Lu, S.

2017-12-01

Analyzing and understanding the capillary pressure curves in fractured porous media is a crucial subject in a number of industrial applications, such as crude oil recovery in the fractured reservoir, CO2 sequestration in fractured brine aquifers and shale gas development. Many studies have observed the significant nonequilibrium capillarity effects in multiphase flow through porous media and proposed that conventional equilibrium capillary pressure may not accurately describe transient two-phase flow behavior under dynamical conditions. To date, only several laboratory experiments and numerical models have been conducted into investigating the characteristic of nonequilibrium capillary pressure in unfractured porous media, a clear picture of the effects of fractures on the dynamic capillary pressure in fractured porous media remains elusive. In this study, four digital porous models were built based on CT image data from ZEISS Xradia 520 Versa CT scanning, a series of direct simulations of multiphase flow in fractured porous media were carried out based on lattice Boltzmann method and three-dimensional porous models. The results show that both the aperture and orientation of the fractures have significant effects on the nonequilibrium capillary pressure coefficients and multiphase flow behaviors. The nonequilibrium capillary pressure coefficients in fractured porous media are one to two orders of magnitude lower than unfractured porous media. This study presents a new direct simulation based methodology for the detailed analysis of nonequilibrium capillary pressure in fractured porous media.

A Global Model for Circumgalactic and Cluster-core Precipitation

NASA Astrophysics Data System (ADS)

Voit, G. Mark; Meece, Greg; Li, Yuan; O'Shea, Brian W.; Bryan, Greg L.; Donahue, Megan

2017-08-01

We provide an analytic framework for interpreting observations of multiphase circumgalactic gas that is heavily informed by recent numerical simulations of thermal instability and precipitation in cool-core galaxy clusters. We start by considering the local conditions required for the formation of multiphase gas via two different modes: (1) uplift of ambient gas by galactic outflows, and (2) condensation in a stratified stationary medium in which thermal balance is explicitly maintained. Analytic exploration of these two modes provides insights into the relationships between the local ratio of the cooling and freefall timescales (I.e., {t}{cool}/{t}{ff}), the large-scale gradient of specific entropy, and the development of precipitation and multiphase media in circumgalactic gas. We then use these analytic findings to interpret recent simulations of circumgalactic gas in which global thermal balance is maintained. We show that long-lasting configurations of gas with 5≲ \\min ({t}{cool}/{t}{ff})≲ 20 and radial entropy profiles similar to observations of cool cores in galaxy clusters are a natural outcome of precipitation-regulated feedback. We conclude with some observational predictions that follow from these models. This work focuses primarily on precipitation and AGN feedback in galaxy-cluster cores, because that is where the observations of multiphase gas around galaxies are most complete. However, many of the physical principles that govern condensation in those environments apply to circumgalactic gas around galaxies of all masses.

Development of Pelton turbine using numerical simulation

NASA Astrophysics Data System (ADS)

Patel, K.; Patel, B.; Yadav, M.; Foggia, T.

2010-08-01

This paper describes recent research and development activities in the field of Pelton turbine design. Flow inside Pelton turbine is most complex due to multiphase (mixture of air and water) and free surface in nature. Numerical calculation is useful to understand flow physics as well as effect of geometry on flow. The optimized design is obtained using in-house special optimization loop. Either single phase or two phase unsteady numerical calculation could be performed. Numerical results are used to visualize the flow pattern in the water passage and to predict performance of Pelton turbine at full load as well as at part load. Model tests are conducted to determine performance of turbine and it shows good agreement with numerically predicted performance.

First and second order approximations to stage numbers in multicomponent enrichment cascades

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scopatz, A.

2013-07-01

This paper describes closed form, Taylor series approximations to the number product stages in a multicomponent enrichment cascade. Such closed form approximations are required when a symbolic, rather than a numeric, algorithm is used to compute the optimal cascade state. Both first and second order approximations were implemented. The first order solution was found to be grossly incorrect, having the wrong functional form over the entire domain. On the other hand, the second order solution shows excellent agreement with the 'true' solution over the domain of interest. An implementation of the symbolic, second order solver is available in the freemore » and open source PyNE library. (authors)« less

Analysis of Multicomponent Adsorption Close to a Dew Point.

PubMed

Shapiro; Stenby

1998-10-15

We develop the potential theory of multicomponent adsorption close to a dew point. The approach is based on an asymptotic adsorption equation (AAE) which is valid in a vicinity of the dew point. By this equation the thickness of the liquid film is expressed through thermodynamic characteristics of the bulk phase. The AAE makes it possible to study adsorption in the regions of both the normal and the retrograde condensation. A simple correlation of the Kelvin radius for capillary condensation and the thickness of the adsorbed film is established. Numerical testing shows good agreement between the AAE and the direct calculations, even if the mixture is not close to a dew point. Copyright 1998 Academic Press.

A model and numerical method for compressible flows with capillary effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmidmayer, Kevin, E-mail: kevin.schmidmayer@univ-amu.fr; Petitpas, Fabien, E-mail: fabien.petitpas@univ-amu.fr; Daniel, Eric, E-mail: eric.daniel@univ-amu.fr

2017-04-01

A new model for interface problems with capillary effects in compressible fluids is presented together with a specific numerical method to treat capillary flows and pressure waves propagation. This new multiphase model is in agreement with physical principles of conservation and respects the second law of thermodynamics. A new numerical method is also proposed where the global system of equations is split into several submodels. Each submodel is hyperbolic or weakly hyperbolic and can be solved with an adequate numerical method. This method is tested and validated thanks to comparisons with analytical solutions (Laplace law) and with experimental results onmore » droplet breakup induced by a shock wave.« less

Chemsheet as a Simulation Platform for Pyrometallurgical Processes

NASA Astrophysics Data System (ADS)

Penttilä, Karri; Salminen, Justin; Tripathi, Nagendra; Koukkari, Pertti

ChemSheet is a thermodynamic multi-phase multi-component simulation software, which is used as an Add-in in Microsoft Excel. In ChemSheet, the unique Constrained Gibbs free energy method can be used to include dynamic constraints and reaction rates of kinetically slow reactions, yet retaining full consistency of the multiphase thermodynamic model. With appropriate data, ChemSheet models can be used to simulate reactors and processes in all fields of thermochemistry. The presentation will cover off-line modeling of Cu-flash smelters and advanced thermochemical simulation coupled with on-line process control of Cu-Ni smelting. The presentation will describe an off-line model of Cu-smelter based on critically assessed properties of the Al-Ca-Cu-Fe-O-S-Si -system (slag, matte and liquid metal) by using the quasichemical model. A four-stage reactor model (shaft, settler, uptake and bath) is used for optimizing process parameters and feed particle distribution. As a second example, an advanced thermochemical model of a Ni-Cu sulphide smelting plant will be given. The on-line model covers the operation of treating Ni-Cu-S concentrate via roasters, electric furnace and converters, producing a high grade Bessemer matte product for further refining. The model integrates the thermochemistry of the roasters and electric furnace, and predicts important process parameters such as degree of sulphur elimination in the fluid-bed roasters, matte grade, iron metallization, slag losses and the iron to silica ratio in the electric furnace slag. Both models can be used to assist process engineers and operators in calculating the addition rates of coke, flux and air for different feed scenarios.

Thermal instability in gravitationally stratified plasmas: implications for multiphase structure in clusters and galaxy haloes

NASA Astrophysics Data System (ADS)

McCourt, Michael; Sharma, Prateek; Quataert, Eliot; Parrish, Ian J.

2012-02-01

We study the interplay among cooling, heating, conduction and magnetic fields in gravitationally stratified plasmas using simplified, plane-parallel numerical simulations. Since the physical heating mechanism remains uncertain in massive haloes such as groups or clusters, we adopt a simple, phenomenological prescription which enforces global thermal equilibrium and prevents a cooling flow. The plasma remains susceptible to local thermal instability, however, and cooling drives an inward flow of material. For physically plausible heating mechanisms in clusters, the thermal stability of the plasma is independent of its convective stability. We find that the ratio of the cooling time-scale to the dynamical time-scale tcool/tff controls the non-linear evolution and saturation of the thermal instability: when tcool/tff≲ 1, the plasma develops extended multiphase structure, whereas when tcool/tff≳ 1 it does not. (In a companion paper, we show that the criterion for thermal instability in a more realistic, spherical potential is somewhat less stringent, tcool/tff≲ 10.) When thermal conduction is anisotropic with respect to the magnetic field, the criterion for multiphase gas is essentially independent of the thermal conductivity of the plasma. Our criterion for local thermal instability to produce multiphase structure is an extension of the cold versus hot accretion modes in galaxy formation that applies at all radii in hot haloes, not just to the virial shock. We show that this criterion is consistent with data on multiphase gas in galaxy groups and clusters; in addition, when tcool/tff≳ 1, the net cooling rate to low temperatures and the mass flux to small radii are suppressed enough relative to models without heating to be qualitatively consistent with star formation rates and X-ray line emission in groups and clusters.

Gas production and migration in landfills and geological materials.

PubMed

Nastev, M; Therrien, R; Lefebvre, R; Gélinas, P

2001-11-01

Landfill gas, originating from the anaerobic biodegradation of the organic content of waste, consists mainly of methane and carbon dioxide, with traces of volatile organic compounds. Pressure, concentration and temperature gradients that develop within the landfill result in gas emissions to the atmosphere and in lateral migration through the surrounding soils. Environmental and safety issues associated with the landfill gas require control of off-site gas migration. The numerical model TOUGH2-LGM (Transport of Unsaturated Groundwater and Heat-Landfill Gas Migration) has been developed to simulate landfill gas production and migration processes within and beyond landfill boundaries. The model is derived from the general non-isothermal multiphase flow simulator TOUGH2, to which a new equation of state module is added. It simulates the migration of five components in partially saturated media: four fluid components (water, atmospheric air, methane and carbon dioxide) and one energy component (heat). The four fluid components are present in both the gas and liquid phases. The model incorporates gas-liquid partitioning of all fluid components by means of dissolution and volatilization. In addition to advection in the gas and liquid phase, multi-component diffusion is simulated in the gas phase. The landfill gas production rate is proportional to the organic substrate and is modeled as an exponentially decreasing function of time. The model is applied to the Montreal's CESM landfill site, which is located in a former limestone rock quarry. Existing data were used to characterize hydraulic properties of the waste and the limestone. Gas recovery data at the site were used to define the gas production model. Simulations in one and two dimensions are presented to investigate gas production and migration in the landfill, and in the surrounding limestone. The effects of a gas recovery well and landfill cover on gas migration are also discussed.

Water Footprint and Water Consumption for the Main Crops and Biofuels Produced in Brazil

NASA Astrophysics Data System (ADS)

Sun, Y.; Tong, C.; Mansoor, K.; Carroll, S.

2011-12-01

The risk of CO2 leakage into shallow aquifers through various pathways such as faults and abandoned wells is a concern of CO2 geological sequestration. If a leak is detected in an aquifer system, a contingency plan is required to manage the CO2 storage and to protect the groundwater source. Among many remediation and mitigation strategies, the simplest is to stop CO2 leakage at a wellbore. Therefore, it is necessary to address whether and when the CO2 leaks should be sealed, and how much risk can be mitigated. In the presence of various uncertainties, including geological-structure uncertainty and parametric uncertainty, the risk of CO2 leakage into an aquifer needs to be assessed with probabilistic distributions of uncertain parameters. In this study, we developed an integrated model to simulate multiphase flow of CO2 and brine in a deep storage reservoir, through a leaky well at an uncertain location, and subsequently multicomponent reactive transport in a shallow aquifer. Each sub-model covers its domain-specific physics. Uncertainties of geological structure and parameters are considered together with decision variables (CO2 injection rate and mitigation time) for risk assessment of leakage-impacted aquifer volume. High-resolution and less-expensive reduced-order models (ROMs) of risk profiles are approximated as polynomial functions of decision variables and all uncertain parameters. These reduced-order models are then used in the place of computationally-expensive numerical models for future decision-making on if and when the leaky well is sealed. The tradeoff between CO2 storage capacity in the reservoir and the leakage-induced risk in the aquifer is evaluated. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Characterization of Magma-Driven Hydrothermal Systems at Oceanic Spreading Centers

NASA Astrophysics Data System (ADS)

Farough, A.; Lowell, R. P.; Corrigan, R.

2012-12-01

Fluid circulation in high-temperature hydrothermal systems involves complex water-rock chemical reactions and phase separation. Numerical modeling of reactive transport in multi-component, multiphase systems is required to obtain a full understanding of the characteristics and evolution of hydrothermal vent systems. We use a single-pass parameterized model of high-temperature hydrothermal circulation at oceanic spreading centers constrained by observational parameters such as vent temperature, heat output, and vent field area, together with surface area and depth of the sub-axial magma chamber, to deduce fundamental hydrothermal parameters such as mass flow rate, bulk permeability, conductive boundary layer thickness at the base of the system, magma replenishment rate, and residence time in the discharge zone. All of these key subsurface characteristics are known for fewer than 10 sites out of 300 known hydrothermal systems. The principal limitations of this approach stem from the uncertainty in heat output and vent field area. For systems where data are available on partitioning of heat and chemical output between focused and diffuse flow, we determined the fraction of high-temperature vent fluid incorporated into diffuse flow using a two-limb single pass model. For EPR 9°50` N and ASHES, the diffuse flow temperatures calculated assuming conservative mixing are nearly equal to the observed temperatures indicating that approximately 80%-90% of the hydrothermal heat output occurs as high-temperature flow derived from magmatic heat even though most of the heat output appears as low-temperature diffuse discharge. For the Main Endeavour Field and Lucky Strike, diffuse flow fluids show significant conductive cooling and heating respectively. Finally, we calculate the transport of various geochemical constituents in focused and diffuse flow at the vent field scale and compare the results with estimates of geochemical transports from the Rainbow hydrothermal field where diffuse flow is absent.

Uncertainty Quantification and Risk Mitigation of CO2 Leakage in Groundwater Aquifers

NASA Astrophysics Data System (ADS)

Sun, Y.; Tong, C.; Mansoor, K.; Carroll, S.

2013-12-01

The risk of CO2 leakage into shallow aquifers through various pathways such as faults and abandoned wells is a concern of CO2 geological sequestration. If a leak is detected in an aquifer system, a contingency plan is required to manage the CO2 storage and to protect the groundwater source. Among many remediation and mitigation strategies, the simplest is to stop CO2 leakage at a wellbore. Therefore, it is necessary to address whether and when the CO2 leaks should be sealed, and how much risk can be mitigated. In the presence of various uncertainties, including geological-structure uncertainty and parametric uncertainty, the risk of CO2 leakage into an aquifer needs to be assessed with probabilistic distributions of uncertain parameters. In this study, we developed an integrated model to simulate multiphase flow of CO2 and brine in a deep storage reservoir, through a leaky well at an uncertain location, and subsequently multicomponent reactive transport in a shallow aquifer. Each sub-model covers its domain-specific physics. Uncertainties of geological structure and parameters are considered together with decision variables (CO2 injection rate and mitigation time) for risk assessment of leakage-impacted aquifer volume. High-resolution and less-expensive reduced-order models (ROMs) of risk profiles are approximated as polynomial functions of decision variables and all uncertain parameters. These reduced-order models are then used in the place of computationally-expensive numerical models for future decision-making on if and when the leaky well is sealed. The tradeoff between CO2 storage capacity in the reservoir and the leakage-induced risk in the aquifer is evaluated. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Modeling Hydrothermal Activity on Enceladus

NASA Astrophysics Data System (ADS)

Stamper, T., Jr.; Farough, A.

2017-12-01

Cassini's mass spectrometer data and gravitational field measurements imply water-rock interactions around the porous core of Enceladus. Using such data we characterize global heat and fluid transport properties of the core and model the ongoing hydrothermal activity on Enceladus. We assume that within the global ocean beneath the surface ice, seawater percolates downward into the core where it is heated and rises to the oceanfloor where it emanates in the form of diffuse discharge. We utilize the data from Hsu et al., [2015] with models of diffuse flow in seafloor hydrothermal systems by Lowell et al., [2015] to characterize the global heat transport properties of the Enceladus's core. Based on direct observations the gravitational acceleration (g) is calculated 0.123 m s-2. We assume fluid's density (ρ) is 10­3 kg m-3 and the specific heat of the fluid (cf) is 4000 Jkg-1 °C-1. From these values effective thermal diffusivity (a*) is calculated as 10­-6 m2 s-1. We also assume the coefficient of thermal expansion of fluid (αf) and the kinematic viscosity of fluid (ν) to be 10-4 °C-1 and 10­-6 m2 s-1 respectively. The estimated Rayleigh number (Ra) ranges between 0.11-2468.0, for core porosity (φ) of 5-15%, permeability (k) between 10-12-10-8 m2 and temperature between 90-200 °C and the depth of fluid circulation of 100 m. High values of Rayleigh number, cause vigorous convection within the core of Enceladus. Numerical modeling of reactive transport in multicomponent, multiphase systems is required to obtain a full understanding of the characteristics and evolution of the hydrothermal system on Enceladus, but simple scaling laws can provide insight into the physics of water-rock interactions.

HYDRATE v1.5 OPTION OF TOUGH+ v1.5

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moridis, George

HYDRATE v1.5 is a numerical code that for the simulation of the behavior of hydrate-bearing geologic systems, and represents the third update of the code since its first release [Moridis et al., 2008]. It is an option of TOUGH+ v1.5 [Moridis and Pruess, 2014], a successor to the TOUGH2 [Pruess et al., 1999, 2012] family of codes for multi-component, multiphase fluid and heat flow developed at the Lawrence Berkeley National Laboratory. HYDRATE v1.5 needs the TOUGH+ v1.5 core code in order to compile and execute. It is written in standard FORTRAN 95/2003, and can be run on any computational platformmore » (workstation, PC, Macintosh) for which such compilers are available. By solving the coupled equations of mass and heat balance, the fully operational TOUGH+HYDRATE code can model the non-isothermal gas release, phase behavior and flow of fluids and heat under conditions typical of common natural CH 4-hydrate deposits (i.e., in the permafrost and in deep ocean sediments) in complex geological media at any scale (from laboratory to reservoir) at which Darcy's law is valid. TOUGH+HYDRATE v1.5 includes both an equilibrium and a kinetic model of hydrate formation and dissociation. The model accounts for heat and up to four mass components, i.e., water, CH 4, hydrate, and water-soluble inhibitors such as salts or alcohols. These are partitioned among four possible phases (gas phase, liquid phase, ice phase and hydrate phase). Hydrate dissociation or formation, phase changes and the corresponding thermal effects are fully described, as are the effects of inhibitors. The model can describe all possible hydrate dissociation mechanisms, i.e., depressurization, thermal stimulation, salting-out effects and inhibitor-induced effects.« less

3DHYDROGEOCHEM: A 3-DIMENSIONAL MODEL OF DENSITY-DEPENDENT SUBSURFACE FLOW AND THERMAL MULTISPECIES-MULTICOMPONENT HYDROGEOCHEMICAL TRANSPORT

EPA Science Inventory

This report presents a three-dimensional finite-element numerical model designed to simulate chemical transport in subsurface systems with temperature effect taken into account. The three-dimensional model is developed to provide (1) a tool of application, with which one is able...

EVALUATING THE SENSITIVITY OF A SUBSURFACE MULTICOMPONENT REACTIVE TRANSPORT MODEL WITH RESPECT TO TRANSPORT AND REACTION PARAMETERS

EPA Science Inventory

The input variables for a numerical model of reactive solute transport in groundwater include both transport parameters, such as hydraulic conductivity and infiltration, and reaction parameters that describe the important chemical and biological processes in the system. These pa...

A variational approach to multi-phase motion of gas, liquid and solid based on the level set method

NASA Astrophysics Data System (ADS)

Yokoi, Kensuke

2009-07-01

We propose a simple and robust numerical algorithm to deal with multi-phase motion of gas, liquid and solid based on the level set method [S. Osher, J.A. Sethian, Front propagating with curvature-dependent speed: Algorithms based on Hamilton-Jacobi formulation, J. Comput. Phys. 79 (1988) 12; M. Sussman, P. Smereka, S. Osher, A level set approach for capturing solution to incompressible two-phase flow, J. Comput. Phys. 114 (1994) 146; J.A. Sethian, Level Set Methods and Fast Marching Methods, Cambridge University Press, 1999; S. Osher, R. Fedkiw, Level Set Methods and Dynamics Implicit Surface, Applied Mathematical Sciences, vol. 153, Springer, 2003]. In Eulerian framework, to simulate interaction between a moving solid object and an interfacial flow, we need to define at least two functions (level set functions) to distinguish three materials. In such simulations, in general two functions overlap and/or disagree due to numerical errors such as numerical diffusion. In this paper, we resolved the problem using the idea of the active contour model [M. Kass, A. Witkin, D. Terzopoulos, Snakes: active contour models, International Journal of Computer Vision 1 (1988) 321; V. Caselles, R. Kimmel, G. Sapiro, Geodesic active contours, International Journal of Computer Vision 22 (1997) 61; G. Sapiro, Geometric Partial Differential Equations and Image Analysis, Cambridge University Press, 2001; R. Kimmel, Numerical Geometry of Images: Theory, Algorithms, and Applications, Springer-Verlag, 2003] introduced in the field of image processing.

Progress in modeling solidification in molten salt coolants

NASA Astrophysics Data System (ADS)

Tano, Mauricio; Rubiolo, Pablo; Doche, Olivier

2017-10-01

Molten salts have been proposed as heat carrier media in the nuclear and concentrating solar power plants. Due to their high melting temperature, solidification of the salts is expected to occur during routine and accidental scenarios. Furthermore, passive safety systems based on the solidification of these salts are being studied. The following article presents new developments in the modeling of eutectic molten salts by means of a multiphase, multicomponent, phase-field model. Besides, an application of this methodology for the eutectic solidification process of the ternary system LiF-KF-NaF is presented. The model predictions are compared with a newly developed semi-analytical solution for directional eutectic solidification at stable growth rate. A good qualitative agreement is obtained between the two approaches. The results obtained with the phase-field model are then used for calculating the homogenized properties of the solid phase distribution. These properties can then be included in a mixture macroscale model, more suitable for industrial applications.

Optimization of Multicomponent Behavioral and Biobehavioral Interventions for the Prevention and Treatment of HIV/AIDS

PubMed Central

Collins, Linda M.; Kugler, Kari C.; Gwadz, Marya Viorst

2015-01-01

To move society toward an AIDS-free generation, behavioral interventions for prevention and treatment of HIV/AIDS must be not only effective, but also cost-effective, efficient, and readily scalable. The purpose of this article is to introduce to the HIV/AIDS research community the multiphase optimization strategy (MOST), a new methodological framework inspired by engineering principles and designed to develop behavioral interventions that have these important characteristics. Many behavioral interventions comprise multiple components. In MOST, randomized experimentation is conducted to assess the individual performance of each intervention component, and whether its presence/absence/setting has an impact on the performance of other components. This information is used to engineer an intervention that meets a specific optimization criterion, defined a priori in terms of effectiveness, cost, cost-effectiveness, and/or scalability. MOST will enable intervention science to develop a coherent knowledge base about what works and does not work. Ultimately this will improve behavioral interventions systematically and incrementally. PMID:26238037

TOUGH3 v1.0

DOE Office of Scientific and Technical Information (OSTI.GOV)

PAU, GEORGE; JUNG, YOOJIN; FINSTERLE, STEFAN

2016-09-14

TOUGH3 V1.0 capabilities to simulate multi-dimensional, multi-phase, multi-component, non-isothermal flow and transport in fractured porous media, with applications geosciences and reservoir engineering and other application areas. TOUGH3 V1.0 supports a number of different combinations of fluids and components (updated equation-of-state (EOS) modules from previous versions of TOUGH, including EOS1, EOS2, EOS3, EOS4, EOS5, EOS7, EOS7R, EOS7C, EOS7CA, EOS8, EOS9, EWASG, TMVOC, ECO2N, and ECO2M). This upgrade includes (a) expanded list of updated equation-of-state (EOS) modules, (b) new hysteresis models, (c) new implementation of parallel and solver functionalities, (d) new linear solver options based on PETSc libraries, (e) new automatic buildmore » system that automatically downloads and builds third-party libraries and TOUGH3, (f) new printout in CSV format, (g) dynamic memory allocation, (h) various user features, and (i) bug fixes.« less

Optimization of Multicomponent Behavioral and Biobehavioral Interventions for the Prevention and Treatment of HIV/AIDS.

PubMed

Collins, Linda M; Kugler, Kari C; Gwadz, Marya Viorst

2016-01-01

To move society toward an AIDS-free generation, behavioral interventions for prevention and treatment of HIV/AIDS must be not only effective, but also cost-effective, efficient, and readily scalable. The purpose of this article is to introduce to the HIV/AIDS research community the multiphase optimization strategy (MOST), a new methodological framework inspired by engineering principles and designed to develop behavioral interventions that have these important characteristics. Many behavioral interventions comprise multiple components. In MOST, randomized experimentation is conducted to assess the individual performance of each intervention component, and whether its presence/absence/setting has an impact on the performance of other components. This information is used to engineer an intervention that meets a specific optimization criterion, defined a priori in terms of effectiveness, cost, cost-effectiveness, and/or scalability. MOST will enable intervention science to develop a coherent knowledge base about what works and does not work. Ultimately this will improve behavioral interventions systematically and incrementally.

BeWell24: development and process evaluation of a smartphone "app" to improve sleep, sedentary, and active behaviors in US Veterans with increased metabolic risk.

PubMed

Buman, Matthew P; Epstein, Dana R; Gutierrez, Monica; Herb, Christine; Hollingshead, Kevin; Huberty, Jennifer L; Hekler, Eric B; Vega-López, Sonia; Ohri-Vachaspati, Punam; Hekler, Andrea C; Baldwin, Carol M

2016-09-01

Lifestyle behaviors across the 24-h spectrum (i.e., sleep, sedentary, and active behaviors) drive metabolic risk. We describe the development and process evaluation of BeWell24, a multicomponent smartphone application (or "app") that targets behavior change in these interdependent behaviors. A community-embedded iterative design framework was used to develop the app. An 8-week multiphase optimization strategy design study was used to test the initial efficacy of the sleep, sedentary, and exercise components of the app. Process evaluation outcomes included objectively measured app usage statistics (e.g., minutes of usage, self-monitoring patterns), user experience interviews, and satisfaction ratings. Participants (N = 26) logged approximately 60 % of their sleep, sedentary, and exercise behaviors, which took 3-4 min/day to complete. Usage of the sleep and sedentary components peaked at week 2 and remained high throughout the intervention. Exercise component use was low. User experiences were mixed, and overall satisfaction was modest.

Laser-assisted manufacturing of super-insulation materials

NASA Astrophysics Data System (ADS)

Wang, Zhen; Zhang, Tao; Park, Byung Kyu; Lee, Woo Il; Hwang, David

2017-02-01

Being lightweight materials with good mechanical and thermal properties, hollow glass micro-particles (HGMPs) have been widely studied for multiple applications. In this study, it is shown that by using reduced binder fraction diluted in solvent, enables minimal contacts among the HGMPs assisted by a natural capillary trend, as confirmed by optical and electron microscope imaging. Such material architecture fabricated in a composite level proves to have enhanced thermal insulation performance through quantitative thermal conductivity measurement. Mechanical strength has also been evaluated in terms of particle-binder bonding by tensile test via in-situ microscope inspection. Effect of laser treatment was examined for further improvement of thermal and mechanical properties by selective binder removal and efficient redistribution of remaining binder components. The fabricated composite materials have potential applications to building insulation materials for their scalable manufacturing nature, improved thermal insulation performance and reasonable mechanical strength. Further studies are needed to understand mechanical and thermal properties of the resulting composites, and key fabrication mechanisms involved with laser treatment of complex multi-component and multi-phase systems.

Enhancements to the TOUGH2 Simulator as Implemented in iTOUGH2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finsterle, Stefan

iTOUGH2 is a program for parameter estimation, sensitivity analysis, and uncertainty propagation analysis. It is based on the TOUGH2 simulator for non-isothermal multiphase, multicomponent flow and transport in fractured and porous media [Pruess, 1987, 1991, 2005, 2011; Falta et al., 1995; Pruess et al., 1999, 2002, 2012; Doughty, 2013]. The core of iTOUGH2 contains slightly modified versions of TOUGH2 modules. Most code modifications are editorial and do not affect the simulation results. As a result, standard TOUGH2 input files can be used in iTOUGH2, and identical results are obtained if iTOUGH2 is run in forward mode. However, a number ofmore » modifications have been made as described in this report. They enhance the functionality, flexibilitu, and eas-of-use of the forward simulator. This report complements the reports iTOUGH2 User's Guide, iTOUGH2 Command Referecne, and the collection of tutorial examples in iTOUGH2 Sample Problems.« less

Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN

PubMed Central

Hammond, G E; Lichtner, P C; Mills, R T

2014-01-01

[1] To better inform the subsurface scientist on the expected performance of parallel simulators, this work investigates performance of the reactive multiphase flow and multicomponent biogeochemical transport code PFLOTRAN as it is applied to several realistic modeling scenarios run on the Jaguar supercomputer. After a brief introduction to the code's parallel layout and code design, PFLOTRAN's parallel performance (measured through strong and weak scalability analyses) is evaluated in the context of conceptual model layout, software and algorithmic design, and known hardware limitations. PFLOTRAN scales well (with regard to strong scaling) for three realistic problem scenarios: (1) in situ leaching of copper from a mineral ore deposit within a 5-spot flow regime, (2) transient flow and solute transport within a regional doublet, and (3) a real-world problem involving uranium surface complexation within a heterogeneous and extremely dynamic variably saturated flow field. Weak scalability is discussed in detail for the regional doublet problem, and several difficulties with its interpretation are noted. PMID:25506097

Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN.

PubMed

Hammond, G E; Lichtner, P C; Mills, R T

2014-01-01

[1] To better inform the subsurface scientist on the expected performance of parallel simulators, this work investigates performance of the reactive multiphase flow and multicomponent biogeochemical transport code PFLOTRAN as it is applied to several realistic modeling scenarios run on the Jaguar supercomputer. After a brief introduction to the code's parallel layout and code design, PFLOTRAN's parallel performance (measured through strong and weak scalability analyses) is evaluated in the context of conceptual model layout, software and algorithmic design, and known hardware limitations. PFLOTRAN scales well (with regard to strong scaling) for three realistic problem scenarios: (1) in situ leaching of copper from a mineral ore deposit within a 5-spot flow regime, (2) transient flow and solute transport within a regional doublet, and (3) a real-world problem involving uranium surface complexation within a heterogeneous and extremely dynamic variably saturated flow field. Weak scalability is discussed in detail for the regional doublet problem, and several difficulties with its interpretation are noted.

Mo/Si and Mo/Be multilayer thin films on Zerodur substrates for extreme-ultraviolet lithography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mirkarimi, Paul B.; Bajt, Sasa; Wall, Mark A.

2000-04-01

Multilayer-coated Zerodur optics are expected to play a pivotal role in an extreme-ultraviolet (EUV) lithography tool. Zerodur is a multiphase, multicomponent material that is a much more complicated substrate than commonly used single-crystal Si or fused-silica substrates. We investigate the effect of Zerodur substrates on the performance of high-EUV reflectance Mo/Si and Mo/Be multilayer thin films. For Mo/Si the EUV reflectance had a nearly linear dependence on substrate roughness for roughness values of 0.06-0.36 nm rms, and the FWHM of the reflectance curves (spectral bandwidth) was essentially constant over this range. For Mo/Be the EUV reflectance was observed to decreasemore » more steeply than Mo/Si for roughness values greater than approximately 0.2-0.3 nm. Little difference was observed in the EUV reflectivity of multilayer thin films deposited on different substrates as long as the substrate roughness values were similar. (c) 2000 Optical Society of America.« less

Mo/Si and Mo/Be multilayer thin films on Zerodur substrates for extreme-ultraviolet lithography.

PubMed

Mirkarimi, P B; Bajt, S; Wall, M A

2000-04-01

Multilayer-coated Zerodur optics are expected to play a pivotal role in an extreme-ultraviolet (EUV) lithography tool. Zerodur is a multiphase, multicomponent material that is a much more complicated substrate than commonly used single-crystal Si or fused-silica substrates. We investigate the effect of Zerodur substrates on the performance of high-EUV reflectance Mo/Si and Mo/Be multilayer thin films. For Mo/Si the EUV reflectance had a nearly linear dependence on substrate roughness for roughness values of 0.06-0.36 nm rms, and the FWHM of the reflectance curves (spectral bandwidth) was essentially constant over this range. For Mo/Be the EUV reflectance was observed to decrease more steeply than Mo/Si for roughness values greater than approximately 0.2-0.3 nm. Little difference was observed in the EUV reflectivity of multilayer thin films deposited on different substrates as long as the substrate roughness values were similar.

Simplified contaminant source depletion models as analogs of multiphase simulators

NASA Astrophysics Data System (ADS)

Basu, Nandita B.; Fure, Adrian D.; Jawitz, James W.

2008-04-01

Four simplified dense non-aqueous phase liquid (DNAPL) source depletion models recently introduced in the literature are evaluated for the prediction of long-term effects of source depletion under natural gradient flow. These models are simple in form (a power function equation is an example) but are shown here to serve as mathematical analogs to complex multiphase flow and transport simulators. The spill and subsequent dissolution of DNAPLs was simulated in domains having different hydrologic characteristics (variance of the log conductivity field = 0.2, 1 and 3) using the multiphase flow and transport simulator UTCHEM. The dissolution profiles were fitted using four analytical models: the equilibrium streamtube model (ESM), the advection dispersion model (ADM), the power law model (PLM) and the Damkohler number model (DaM). All four models, though very different in their conceptualization, include two basic parameters that describe the mean DNAPL mass and the joint variability in the velocity and DNAPL distributions. The variability parameter was observed to be strongly correlated with the variance of the log conductivity field in the ESM and ADM but weakly correlated in the PLM and DaM. The DaM also includes a third parameter that describes the effect of rate-limited dissolution, but here this parameter was held constant as the numerical simulations were found to be insensitive to local-scale mass transfer. All four models were able to emulate the characteristics of the dissolution profiles generated from the complex numerical simulator, but the one-parameter PLM fits were the poorest, especially for the low heterogeneity case.

Simplified contaminant source depletion models as analogs of multiphase simulators.

PubMed

Basu, Nandita B; Fure, Adrian D; Jawitz, James W

2008-04-28

Four simplified dense non-aqueous phase liquid (DNAPL) source depletion models recently introduced in the literature are evaluated for the prediction of long-term effects of source depletion under natural gradient flow. These models are simple in form (a power function equation is an example) but are shown here to serve as mathematical analogs to complex multiphase flow and transport simulators. The spill and subsequent dissolution of DNAPLs was simulated in domains having different hydrologic characteristics (variance of the log conductivity field=0.2, 1 and 3) using the multiphase flow and transport simulator UTCHEM. The dissolution profiles were fitted using four analytical models: the equilibrium streamtube model (ESM), the advection dispersion model (ADM), the power law model (PLM) and the Damkohler number model (DaM). All four models, though very different in their conceptualization, include two basic parameters that describe the mean DNAPL mass and the joint variability in the velocity and DNAPL distributions. The variability parameter was observed to be strongly correlated with the variance of the log conductivity field in the ESM and ADM but weakly correlated in the PLM and DaM. The DaM also includes a third parameter that describes the effect of rate-limited dissolution, but here this parameter was held constant as the numerical simulations were found to be insensitive to local-scale mass transfer. All four models were able to emulate the characteristics of the dissolution profiles generated from the complex numerical simulator, but the one-parameter PLM fits were the poorest, especially for the low heterogeneity case.

The numerical methods for the development of the mixture region in the vapor explosion simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Y.; Ohashi, H.; Akiyama, M.

An attempt to numerically simulate the process of the vapor explosion with a general multi-component and multi-dimension code is being challenged. Because of the rapid change of the flow field and extremely nonuniform distribution of the components in the system of the vapor explosion, the numerical divergence and diffusion are subject to occur easily. A dispersed component model and a multiregion scheme, by which these difficulties can be effectively overcome, were proposed. The simulations have been performed for the processes of the premixing and the fragmentation propagation in the vapor explosion.

Modeling of nanoscale liquid mixture transport by density functional hydrodynamics

NASA Astrophysics Data System (ADS)

Dinariev, Oleg Yu.; Evseev, Nikolay V.

2017-06-01

Modeling of multiphase compositional hydrodynamics at nanoscale is performed by means of density functional hydrodynamics (DFH). DFH is the method based on density functional theory and continuum mechanics. This method has been developed by the authors over 20 years and used for modeling in various multiphase hydrodynamic applications. In this paper, DFH was further extended to encompass phenomena inherent in liquids at nanoscale. The new DFH extension is based on the introduction of external potentials for chemical components. These potentials are localized in the vicinity of solid surfaces and take account of the van der Waals forces. A set of numerical examples, including disjoining pressure, film precursors, anomalous rheology, liquid in contact with heterogeneous surface, capillary condensation, and forward and reverse osmosis, is presented to demonstrate modeling capabilities.

Numerical study of combustion processes in afterburners

NASA Technical Reports Server (NTRS)

Zhou, Xiaoqing; Zhang, Xiaochun

1986-01-01

Mathematical models and numerical methods are presented for computer modeling of aeroengine afterburners. A computer code GEMCHIP is described briefly. The algorithms SIMPLER, for gas flow predictions, and DROPLET, for droplet flow calculations, are incorporated in this code. The block correction technique is adopted to facilitate convergence. The method of handling irregular shapes of combustors and flameholders is described. The predicted results for a low-bypass-ratio turbofan afterburner in the cases of gaseous combustion and multiphase spray combustion are provided and analyzed, and engineering guides for afterburner optimization are presented.

Modelling the transient behaviour of pulsed current tungsten-inert-gas weldpools

NASA Astrophysics Data System (ADS)

Wu, C. S.; Zheng, W.; Wu, L.

1999-01-01

A three-dimensional model is established to simulate the pulsed current tungsten-inert-gas (TIG) welding process. The goal is to analyse the cyclic variation of fluid flow and heat transfer in weldpools under periodic arc heat input. To this end, an algorithm, which is capable of handling the transience, nonlinearity, multiphase and strong coupling encountered in this work, is developed. The numerical simulations demonstrate the transient behaviour of weldpools under pulsed current. Experimental data are compared with numerical results to show the effectiveness of the developed model.

A Gas-Kinetic Scheme for Multimaterial Flows and Its Application in Chemical Reaction

NASA Technical Reports Server (NTRS)

Lian, Yongsheng; Xu, Kun

1999-01-01

This paper concerns the extension of the multicomponent gas-kinetic BGK-type scheme to multidimensional chemical reactive flow calculations. In the kinetic model, each component satisfies its individual gas-kinetic BGK equation and the equilibrium states of both components are coupled in space and time due to the momentum and energy exchange in the course of particle collisions. At the same time, according to the chemical reaction rule one component can be changed into another component with the release of energy, where the reactant and product could have different gamma. Many numerical test cases are included in this paper, which show the robustness and accuracy of kinetic approach in the description of multicomponent reactive flows.

Multi-phase arrival tracking using tetrahedral cells within a 3D layered titled transversely isotropic anisotropic model involving undulating topography and irregular interfaces

NASA Astrophysics Data System (ADS)

Li, Xing-Wang; Bai, Chao-Ying; Yue, Xiao-Peng; Greenhalgh, Stewart

2018-02-01

To overcome a major problem in current ray tracing methods, which are only capable of tracing first arrivals, and occasionally primary reflections (or mode conversions) in regular cell models, we extend in this paper the multistage triangular shortest-path method (SPM) into 3D titled transversely isotropic (TTI) anisotropic media. The proposed method is capable of tracking multi-phase arrivals composed of any kind of combinations of transmissions, mode conversions and reflections. In model parameterization, five elastic parameters, plus two angles defining the titled axis of symmetry of TTI media are sampled at the primary nodes of the tetrahedral cell, and velocity value at secondary node positions are linked by a tri-linear velocity interpolation function to the primary node velocity value of that of a tetrahedral cell, from which the group velocities of the three wave modes (qP, qSV and qSH) are computed. The multistage triangular SPM is used to track multi-phase arrivals. The uniform anisotropic test indicates that the numerical solution agrees well with the analytic solution, thus verifying the accuracy of the methodology. Several simulations and comparison results for heterogeneous models show that the proposed algorithm is able to efficiently and accurately approximate undulating surface topography and irregular subsurface velocity discontinuities. It is suitable for any combination of multi-phase arrival tracking in arbitrary tilt angle TTI media and can accommodate any magnitude of anisotropy.

Approximate non-linear multiparameter inversion for multicomponent single and double P-wave scattering in isotropic elastic media

NASA Astrophysics Data System (ADS)

Ouyang, Wei; Mao, Weijian

2018-03-01

An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-waves scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform (GRT). After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic non-linear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P-wave and S-wave information.

Multicomponent long-wave-short-wave resonance interaction system: Bright solitons, energy-sharing collisions, and resonant solitons.

PubMed

Sakkaravarthi, K; Kanna, T; Vijayajayanthi, M; Lakshmanan, M

2014-11-01

We consider a general multicomponent (2+1)-dimensional long-wave-short-wave resonance interaction (LSRI) system with arbitrary nonlinearity coefficients, which describes the nonlinear resonance interaction of multiple short waves with a long wave in two spatial dimensions. The general multicomponent LSRI system is shown to be integrable by performing the Painlevé analysis. Then we construct the exact bright multisoliton solutions by applying the Hirota's bilinearization method and study the propagation and collision dynamics of bright solitons in detail. Particularly, we investigate the head-on and overtaking collisions of bright solitons and explore two types of energy-sharing collisions as well as standard elastic collision. We have also corroborated the obtained analytical one-soliton solution by direct numerical simulation. Also, we discuss the formation and dynamics of resonant solitons. Interestingly, we demonstrate the formation of resonant solitons admitting breather-like (localized periodic pulse train) structure and also large amplitude localized structures akin to rogue waves coexisting with solitons. For completeness, we have also obtained dark one- and two-soliton solutions and studied their dynamics briefly.

Approximate nonlinear multiparameter inversion for multicomponent single and double P-wave scattering in isotropic elastic media

NASA Astrophysics Data System (ADS)

Ouyang, Wei; Mao, Weijian

2018-07-01

An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-wave scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform. After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic nonlinear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P- and S-wave information.

An Implementation and Outcome Evaluation of a Multicomponent Sexuality Education Programme for High School Students

ERIC Educational Resources Information Center

Berglas, Nancy F.; Jerman, Petra; Rohrbach, Louise A.; Angulo-Olaiz, Francisca; Chou, Chih-Ping; Constantine, Norman A.

2016-01-01

Numerous classroom-based interventions have aimed to improve sexual health outcomes for young people, yet few have shown strong, lasting effects. Ecological approaches that address multiple levels of a young person's environment offer largely untapped potential to positively change sexual behaviour. This paper presents results of a…

Self-gravito-acoustic shock structures in a self-gravitating, strongly coupled, multi-component, degenerate quantum plasma system

NASA Astrophysics Data System (ADS)

Mamun, A. A.

2017-10-01

The existence of self-gravito-acoustic (SGA) shock structures (SSs) associated with negative self-gravitational potential in a self-gravitating, strongly coupled, multi-component, degenerate quantum plasma (SGSCMCDQP) system is predicted for the first time. The modified Burgers (MB) equation, which is valid for both planar and non-planar (spherical) geometries, is derived analytically, and solved numerically. It is shown that the longitudinal viscous force acting on inertial plasma species of the plasma system is the source of dissipation and is responsible for the formation of these SGA SSs in the plasma system. The time evolution of these SGA SSs is also shown for different values (viz., 0.5, 1, and 2) of Γ, where Γ is the ratio of the nonlinear coefficient to the dissipative coefficient in the MB equation. The SGSCMCDQP model and the numerical analysis of the MB equation presented here are so general that they can be applied in any type of SGSCMCDQP systems like astrophysical compact objects having planar or non-planar (spherical) shape.

NPSS on NASA's Information Power Grid: Using CORBA and Globus to Coordinate Multidisciplinary Aeroscience Applications

NASA Technical Reports Server (NTRS)

Lopez, Isaac; Follen, Gregory J.; Gutierrez, Richard; Foster, Ian; Ginsburg, Brian; Larsson, Olle; Martin, Stuart; Tuecke, Steven; Woodford, David

2000-01-01

This paper describes a project to evaluate the feasibility of combining Grid and Numerical Propulsion System Simulation (NPSS) technologies, with a view to leveraging the numerous advantages of commodity technologies in a high-performance Grid environment. A team from the NASA Glenn Research Center and Argonne National Laboratory has been studying three problems: a desktop-controlled parameter study using Excel (Microsoft Corporation); a multicomponent application using ADPAC, NPSS, and a controller program-, and an aviation safety application running about 100 jobs in near real time. The team has successfully demonstrated (1) a Common-Object- Request-Broker-Architecture- (CORBA-) to-Globus resource manager gateway that allows CORBA remote procedure calls to be used to control the submission and execution of programs on workstations and massively parallel computers, (2) a gateway from the CORBA Trader service to the Grid information service, and (3) a preliminary integration of CORBA and Grid security mechanisms. We have applied these technologies to two applications related to NPSS, namely a parameter study and a multicomponent simulation.

Tolman lengths and rigidity constants of multicomponent fluids: Fundamental theory and numerical examples

NASA Astrophysics Data System (ADS)

Aasen, Ailo; Blokhuis, Edgar M.; Wilhelmsen, Øivind

2018-05-01

The curvature dependence of the surface tension can be described by the Tolman length (first-order correction) and the rigidity constants (second-order corrections) through the Helfrich expansion. We present and explain the general theory for this dependence for multicomponent fluids and calculate the Tolman length and rigidity constants for a hexane-heptane mixture by use of square gradient theory. We show that the Tolman length of multicomponent fluids is independent of the choice of dividing surface and present simple formulae that capture the change in the rigidity constants for different choices of dividing surface. For multicomponent fluids, the Tolman length, the rigidity constants, and the accuracy of the Helfrich expansion depend on the choice of path in composition and pressure space along which droplets and bubbles are considered. For the hexane-heptane mixture, we find that the most accurate choice of path is the direction of constant liquid-phase composition. For this path, the Tolman length and rigidity constants are nearly linear in the mole fraction of the liquid phase, and the Helfrich expansion represents the surface tension of hexane-heptane droplets and bubbles within 0.1% down to radii of 3 nm. The presented framework is applicable to a wide range of fluid mixtures and can be used to accurately represent the surface tension of nanoscopic bubbles and droplets.

Development and validation of chemometrics-assisted spectrophotometric and liquid chromatographic methods for the simultaneous determination of two multicomponent mixtures containing bronchodilator drugs.

PubMed

El-Gindy, Alaa; Emara, Samy; Shaaban, Heba

2007-02-19

Three methods are developed for the determination of two multicomponent mixtures containing guaiphenesine (GU) with salbutamol sulfate (SL), methylparaben (MP) and propylparaben (PP) [mixture 1]; and acephylline piperazine (AC) with bromhexine hydrochloride (BX), methylparaben (MP) and propylparaben (PP) [mixture 2]. The resolution of the two multicomponent mixtures has been accomplished by using numerical spectrophotometric methods such as partial least squares (PLS-1) and principal component regression (PCR) applied to UV absorption spectra of the two mixtures. In addition HPLC method was developed using a RP 18 column at ambient temperature with mobile phase consisting of acetonitrile-0.05 M potassium dihydrogen phosphate, pH 4.3 (60:40, v/v), with UV detection at 243 nm for mixture 1, and mobile phase consisting of acetonitrile-0.05 M potassium dihydrogen phosphate, pH 3 (50:50, v/v), with UV detection at 245 nm for mixture 2. The methods were validated in terms of accuracy, specificity, precision and linearity in the range of 20-60 microg ml(-1) for GU, 1-3 microg ml(-1) for SL, 20-80 microg ml(-1) for AC, 0.2-1.8 microgml(-1) for PP and 1-5 microg ml(-1) for BX and MP. The proposed methods were successfully applied for the determination of the two multicomponent combinations in laboratory prepared mixtures and commercial syrups.

Effect of the forcing term in the pseudopotential lattice Boltzmann modeling of thermal flows

NASA Astrophysics Data System (ADS)

Li, Qing; Luo, K. H.

2014-05-01

The pseudopotential lattice Boltzmann (LB) model is a popular model in the LB community for simulating multiphase flows. Recently, several thermal LB models, which are based on the pseudopotential LB model and constructed within the framework of the double-distribution-function LB method, were proposed to simulate thermal multiphase flows [G. Házi and A. Márkus, Phys. Rev. E 77, 026305 (2008), 10.1103/PhysRevE.77.026305; L. Biferale, P. Perlekar, M. Sbragaglia, and F. Toschi, Phys. Rev. Lett. 108, 104502 (2012), 10.1103/PhysRevLett.108.104502; S. Gong and P. Cheng, Int. J. Heat Mass Transfer 55, 4923 (2012), 10.1016/j.ijheatmasstransfer.2012.04.037; M. R. Kamali et al., Phys. Rev. E 88, 033302 (2013), 10.1103/PhysRevE.88.033302]. The objective of the present paper is to show that the effect of the forcing term on the temperature equation must be eliminated in the pseudopotential LB modeling of thermal flows. First, the effect of the forcing term on the temperature equation is shown via the Chapman-Enskog analysis. For comparison, alternative treatments that are free from the forcing-term effect are provided. Subsequently, numerical investigations are performed for two benchmark tests. The numerical results clearly show that the existence of the forcing-term effect will lead to significant numerical errors in the pseudopotential LB modeling of thermal flows.

Unmanned Aerial Systems as Part of a Multi-Component Assessment Strategy to Address Climate Change and Atmospheric Processes

NASA Astrophysics Data System (ADS)

Lange, Manfred; Vrekoussis, Mihalis; Sciare, Jean; Argyrides, Marios; Ioannou, Stelios; Keleshis, Christos

2015-04-01

Unmanned Aerial Systems (UAS) have been established as versatile tools for different applications, providing data and observations for atmospheric and Earth-Systems research. They offer an urgently needed link between in-situ ground based measurements and satellite remote sensing observations and are distinguished by significant versatility, flexibility and moderate operational costs. UAS have the proven potential to contribute to a multi-component assessment strategy that combines remote-sensing, numerical modelling and surface measurements in order to elucidate important atmospheric processes. This includes physical and chemical transformations related to ongoing climate change as well as issues linked to aerosol-cloud interactions and air quality. The distinct advantages offered by UAS comprise, to name but a few: (i) their ability to operate from altitudes of a few meters to up to a few kilometers; (ii) their capability to perform autonomously controlled missions, which provides for repeat-measurements to be carried out at precisely defined locations; (iii) their relative ease of operation, which enables flexible employment at short-term notice and (iv) the employment of more than one platform in stacked formation, which allows for unique, quasi-3D-observations of atmospheric properties and processes. These advantages are brought to bear in combining in-situ ground based observations and numerical modeling with UAS-based remote sensing in elucidating specific research questions that require both horizontally and vertically resolved measurements at high spatial and temporal resolutions. Employing numerical atmospheric modelling, UAS can provide survey information over spatially and temporally localized, focused areas of evolving atmospheric phenomena, as they become identified by the numerical models. Conversely, UAS observations offer urgently needed data for model verification and provide boundary conditions for numerical models. In this presentation, we will briefly describe the current elements of our observational capabilities that enable the aforementioned multi-component assessment strategy by the Unmanned Systems Research Laboratory of the Cyprus Institute. This strategy is applied and utilized in the context of the EU-funded BACCHUS project, aside from other tasks. The ongoing and planned observations are particularly relevant as they are carried out in the Eastern Mediterranean and the Middle East, a region characterized by increasing anthropogenic pressures and ongoing and anticipated severe climatic changes and their impacts.

A partially coupled, fraction-by-fraction modelling approach to the subsurface migration of gasoline spills

NASA Astrophysics Data System (ADS)

Fagerlund, F.; Niemi, A.

2007-01-01

The subsurface spreading behaviour of gasoline, as well as several other common soil- and groundwater pollutants (e.g. diesel, creosote), is complicated by the fact that it is a mixture of hundreds of different constituents, behaving differently with respect to e.g. dissolution, volatilisation, adsorption and biodegradation. Especially for scenarios where the non-aqueous phase liquid (NAPL) phase is highly mobile, such as for sudden spills in connection with accidents, it is necessary to simultaneously analyse the migration of the NAPL and its individual components in order to assess risks and environmental impacts. Although a few fully coupled, multi-phase, multi-constituent models exist, such models are highly complex and may be time consuming to use. A new, somewhat simplified methodology for modelling the subsurface migration of gasoline while taking its multi-constituent nature into account is therefore introduced here. Constituents with similar properties are grouped together into eight fractions. The migration of each fraction in the aqueous and gaseous phases as well as adsorption is modelled separately using a single-constituent multi-phase flow model, while the movement of the free-phase gasoline is essentially the same for all fractions. The modelling is done stepwise to allow updating of the free-phase gasoline composition at certain time intervals. The output is the concentration of the eight different fractions in the aqueous, gaseous, free gasoline and solid phases with time. The approach is evaluated by comparing it to a fully coupled multi-phase, multi-constituent numerical simulator in the modelling of a typical accident-type spill scenario, based on a tanker accident in northern Sweden. Here the PCFF method produces results similar to those of the more sophisticated, fully coupled model. The benefit of the method is that it is easy to use and can be applied to any single-constituent multi-phase numerical simulator, which in turn may have different strengths in incorporating various processes. The results demonstrate that the different fractions have significantly different migration behaviours and although the methodology involves some simplifications, it is a considerable improvement compared to modelling the gasoline constituents completely individually or as one single mixture.

A novel consistent and well-balanced algorithm for simulations of multiphase flows on unstructured grids

NASA Astrophysics Data System (ADS)

Patel, Jitendra Kumar; Natarajan, Ganesh

2017-12-01

We discuss the development and assessment of a robust numerical algorithm for simulating multiphase flows with complex interfaces and high density ratios on arbitrary polygonal meshes. The algorithm combines the volume-of-fluid method with an incremental projection approach for incompressible multiphase flows in a novel hybrid staggered/non-staggered framework. The key principles that characterise the algorithm are the consistent treatment of discrete mass and momentum transport and the similar discretisation of force terms appearing in the momentum equation. The former is achieved by invoking identical schemes for convective transport of volume fraction and momentum in the respective discrete equations while the latter is realised by representing the gravity and surface tension terms as gradients of suitable scalars which are then discretised in identical fashion resulting in a balanced formulation. The hybrid staggered/non-staggered framework employed herein solves for the scalar normal momentum at the cell faces, while the volume fraction is computed at the cell centroids. This is shown to naturally lead to similar terms for pressure and its correction in the momentum and pressure correction equations respectively, which are again treated discretely in a similar manner. We show that spurious currents that corrupt the solution may arise both from an unbalanced formulation where forces (gravity and surface tension) are discretised in dissimilar manner and from an inconsistent approach where different schemes are used to convect the mass and momentum, with the latter prominent in flows which are convection-dominant with high density ratios. Interestingly, the inconsistent approach is shown to perform as well as the consistent approach even for high density ratio flows in some cases while it exhibits anomalous behaviour for other scenarios, even at low density ratios. Using a plethora of test problems of increasing complexity, we conclusively demonstrate that the consistent transport and balanced force treatment results in a numerically stable solution procedure and physically consistent results. The algorithm proposed in this study qualifies as a robust approach to simulate multiphase flows with high density ratios on unstructured meshes and may be realised in existing flow solvers with relative ease.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jablonská, Jana, E-mail: jana.jablonska@vsb.cz; Kozubková, Milada, E-mail: milada.kozubkova@vsb.cz

Cavitation today is a very important problem that is solved by means of experimental and mathematical methods. The article deals with the generation of cavitation in convergent divergent nozzle of rectangular cross section. Measurement of pressure, flow rate, temperature, amount of dissolved air in the liquid and visualization of cavitation area using high-speed camera was performed for different flow rates. The measurement results were generalized by dimensionless analysis, which allows easy detection of cavitation in the nozzle. For numerical simulation the multiphase mathematical model of cavitation consisting of water and vapor was created. During verification the disagreement with the measurementsmore » for higher flow rates was proved, therefore the model was extended to multiphase mathematical model (water, vapor and air), due to release of dissolved air. For the mathematical modeling the multiphase turbulence RNG k-ε model for low Reynolds number flow with vapor and air cavitation was used. Subsequently the sizes of the cavitation area were verified. In article the inlet pressure and loss coefficient depending on the amount of air added to the mathematical model are evaluated. On the basis of the approach it may be create a methodology to estimate the amount of released air added at the inlet to the modeled area.« less

Impact Detection for Characterization of Complex Multiphase Flows

NASA Astrophysics Data System (ADS)

Chan, Wai Hong Ronald; Urzay, Javier; Mani, Ali; Moin, Parviz

2016-11-01

Multiphase flows often involve a wide range of impact events, such as liquid droplets impinging on a liquid pool or gas bubbles coalescing in a liquid medium. These events contribute to a myriad of large-scale phenomena, including breaking waves on ocean surfaces. As impacts between surfaces necessarily occur at isolated points, numerical simulations of impact events will require the resolution of molecular scales near the impact points for accurate modeling. This can be prohibitively expensive unless subgrid impact and breakup models are formulated to capture the effects of the interactions. The first step in a large-eddy simulation (LES) based computational methodology for complex multiphase flows like air-sea interactions requires effective detection of these impact events. The starting point of this work is a collision detection algorithm for structured grids on a coupled level set / volume of fluid (CLSVOF) solver adapted from an earlier algorithm for cloth animations that triangulates the interface with the marching cubes method. We explore the extension of collision detection to a geometric VOF solver and to unstructured grids. Supported by ONR/A*STAR. Agency of Science, Technology and Research, Singapore; Office of Naval Research, USA.

Cascaded lattice Boltzmann method with improved forcing scheme for large-density-ratio multiphase flow at high Reynolds and Weber numbers.

PubMed

Lycett-Brown, Daniel; Luo, Kai H

2016-11-01

A recently developed forcing scheme has allowed the pseudopotential multiphase lattice Boltzmann method to correctly reproduce coexistence curves, while expanding its range to lower surface tensions and arbitrarily high density ratios [Lycett-Brown and Luo, Phys. Rev. E 91, 023305 (2015)PLEEE81539-375510.1103/PhysRevE.91.023305]. Here, a third-order Chapman-Enskog analysis is used to extend this result from the single-relaxation-time collision operator, to a multiple-relaxation-time cascaded collision operator, whose additional relaxation rates allow a significant increase in stability. Numerical results confirm that the proposed scheme enables almost independent control of density ratio, surface tension, interface width, viscosity, and the additional relaxation rates of the cascaded collision operator. This allows simulation of large density ratio flows at simultaneously high Reynolds and Weber numbers, which is demonstrated through binary collisions of water droplets in air (with density ratio up to 1000, Reynolds number 6200 and Weber number 440). This model represents a significant improvement in multiphase flow simulation by the pseudopotential lattice Boltzmann method in which real-world parameters are finally achievable.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

NASA Astrophysics Data System (ADS)

Kou, Jisheng; Sun, Shuyu

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kou, Jisheng; Sun, Shuyu, E-mail: shuyu.sun@kaust.edu.sa; School of Mathematics and Statistics, Xi'an Jiaotong University, Xi'an 710049

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng–Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from themore » microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young–Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young–Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young–Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.« less

Simulations of Evaporating Multicomponent Fuel Drops

NASA Technical Reports Server (NTRS)

Bellan, Josette; Le Clercq, Patrick

2005-01-01

A paper presents additional information on the subject matter of Model of Mixing Layer With Multicomponent Evaporating Drops (NPO-30505), NASA Tech Briefs, Vol. 28, No. 3 (March 2004), page 55. To recapitulate: A mathematical model of a three-dimensional mixing layer laden with evaporating fuel drops composed of many chemical species has been derived. The model is used to perform direct numerical simulations in continuing studies directed toward understanding the behaviors of sprays of liquid petroleum fuels in furnaces, industrial combustors, and engines. The model includes governing equations formulated in an Eulerian and a Lagrangian reference frame for the gas and drops, respectively, and incorporates a concept of continuous thermodynamics, according to which the chemical composition of a fuel is described by use of a distribution function. In this investigation, the distribution function depends solely on the species molar weight. The present paper reiterates the description of the model and discusses further in-depth analysis of the previous results as well as results of additional numerical simulations assessing the effect of the mass loading. The paper reiterates the conclusions reported in the cited previous article, and states some new conclusions. Some new conclusions are: 1. The slower evaporation and the evaporation/ condensation process for multicomponent-fuel drops resulted in a reduced drop-size polydispersity compared to their single-component counterpart. 2. The inhomogeneity in the spatial distribution of the species in the layer increases with the initial mass loading. 3. As evaporation becomes faster, the assumed invariant form of the molecular- weight distribution during evaporation becomes inaccurate.

Free-energy-based lattice Boltzmann model for the simulation of multiphase flows with density contrast.

PubMed

Shao, J Y; Shu, C; Huang, H B; Chew, Y T

2014-03-01

A free-energy-based phase-field lattice Boltzmann method is proposed in this work to simulate multiphase flows with density contrast. The present method is to improve the Zheng-Shu-Chew (ZSC) model [Zheng, Shu, and Chew, J. Comput. Phys. 218, 353 (2006)] for correct consideration of density contrast in the momentum equation. The original ZSC model uses the particle distribution function in the lattice Boltzmann equation (LBE) for the mean density and momentum, which cannot properly consider the effect of local density variation in the momentum equation. To correctly consider it, the particle distribution function in the LBE must be for the local density and momentum. However, when the LBE of such distribution function is solved, it will encounter a severe numerical instability. To overcome this difficulty, a transformation, which is similar to the one used in the Lee-Lin (LL) model [Lee and Lin, J. Comput. Phys. 206, 16 (2005)] is introduced in this work to change the particle distribution function for the local density and momentum into that for the mean density and momentum. As a result, the present model still uses the particle distribution function for the mean density and momentum, and in the meantime, considers the effect of local density variation in the LBE as a forcing term. Numerical examples demonstrate that both the present model and the LL model can correctly simulate multiphase flows with density contrast, and the present model has an obvious improvement over the ZSC model in terms of solution accuracy. In terms of computational time, the present model is less efficient than the ZSC model, but is much more efficient than the LL model.

MISTRA mechanism development: A new mechanism focused on marine environments

NASA Astrophysics Data System (ADS)

Bräuer, Peter; Sommariva, Roberto; von Glasow, Roland

2015-04-01

The tropospheric multiphase chemistry of halogen compounds plays a key role in marine environments. Moreover, halogen compounds have an impact on the tropospheric oxidation capacity and climate. With more than two thirds of the Earth's surface covered with oceans, effects are of global importance. Various conditions are found in marine environments ranging from pristine regions to polluted regimes in the continental outflow. Furthermore, there are important sources for halogen compounds over land, such as volcanoes, salt lakes, or emissions from industrial processes. To assess the impact of halogen chemistry with numerical models under these distinct conditions, a multiphase mechanism has been developed in the last decades and applied successfully in numerous box and 1D model studies. Contributions from these model studies helped to identify important chemical cycles affecting the composition and chemistry of the troposphere. However, several discrepancies between model results and field measurements remain. Therefore, a major revision of the chemical mechanism has been performed including an update of the kinetic data and the addition of new reaction cycles. The extended mechansims have been evaluated in several model studies with the 1D model MISTRA. Current work focuses at the identification of the most important reaction cycles, which led to significant changes in the concentration-time profiles of several halogen species. Subsequently, the mechanism will be reduced to the most imporatant reactions, which are currently investigated. As regional and global model studies become more important to identify the importance of tropospheric halogen multiphase chemistry, the goal is to derive parameterisations for the most important halogen chemistry cycles, which can than be implemented in regional and global 3D models. In the reduction process, the extented MISTRA version will serve as a benchmark to assess the quality and accuracy of the reduced mechansim versions.

Estimating Mass Discharge From Dense Nonaqueous Phase Liquid Source Zones Using Upscaled Mass Transfer Coefficients: An Evaluation Using Multiphase Numerical Simulations

DTIC Science & Technology

2006-11-28

nonuniform permeability fields using the University of Texas Chemical Flooding Simulator ( UTCHEM 9.0) [Center for Petroleum and Geosystems Engineering...Engineering (2000), UTCHEM , Ver- sion 9.0 technical documentation, Univ. of Tex. at Austin, Austin. Chambers, J. E., M. H. Loke, R. D. Ogilvy, and P. I

The structure and statistics of interstellar turbulence

NASA Astrophysics Data System (ADS)

Kritsuk, A. G.; Ustyugov, S. D.; Norman, M. L.

2017-06-01

We explore the structure and statistics of multiphase, magnetized ISM turbulence in the local Milky Way by means of driven periodic box numerical MHD simulations. Using the higher order-accurate piecewise-parabolic method on a local stencil (PPML), we carry out a small parameter survey varying the mean magnetic field strength and density while fixing the rms velocity to observed values. We quantify numerous characteristics of the transient and steady-state turbulence, including its thermodynamics and phase structure, kinetic and magnetic energy power spectra, structure functions, and distribution functions of density, column density, pressure, and magnetic field strength. The simulations reproduce many observables of the local ISM, including molecular clouds, such as the ratio of turbulent to mean magnetic field at 100 pc scale, the mass and volume fractions of thermally stable Hi, the lognormal distribution of column densities, the mass-weighted distribution of thermal pressure, and the linewidth-size relationship for molecular clouds. Our models predict the shape of magnetic field probability density functions (PDFs), which are strongly non-Gaussian, and the relative alignment of magnetic field and density structures. Finally, our models show how the observed low rates of star formation per free-fall time are controlled by the multiphase thermodynamics and large-scale turbulence.

Droplet evaporation and combustion in a liquid-gas multiphase system

NASA Astrophysics Data System (ADS)

Muradoglu, Metin; Irfan, Muhammad

2017-11-01

Droplet evaporation and combustion in a liquid-gas multiphase system are studied computationally using a front-tracking method. One field formulation is used to solve the flow, energy and species equations with suitable jump conditions. Both phases are assumed to be incompressible; however, the divergence-free velocity field condition is modified to account for the phase change at the interface. Both temperature and species gradient driven phase change processes are simulated. Extensive validation studies are performed using the benchmark cases: The Stefan and the sucking interface problems, d2 law and wet bulb temperature comparison with the psychrometric chart values. The phase change solver is then extended to incorporate the burning process following the evaporation as a first step towards the development of a computational framework for spray combustion. We used detailed chemistry, variable transport properties and ideal gas behaviour for a n-heptane droplet combustion; the chemical kinetics being handled by the CHEMKIN. An operator-splitting approach is used to advance temperature and species mass fraction in time. The numerical results of the droplet burning rate, flame temperature and flame standoff ratio show good agreement with the experimental and previous numeric.

CO 2 Leakage Into Shallow Aquifers: Modeling CO 2 Gas Evolution and Accumulation at Interfaces of Heterogeneity

DOE PAGES

Porter, Mark L.; Plampin, Michael; Pawar, Rajesh; ...

2014-12-31

The physicochemical processes associated with CO 2 leakage into shallow aquifer systems are complex and span multiple spatial and time scales. Continuum-scale numerical models that faithfully represent the underlying pore-scale physics are required to predict the long-term behavior and aid in risk analysis regarding regulatory and management decisions. This study focuses on benchmarking the numerical simulator, FEHM, with intermediate-scale column experiments of CO 2 gas evolution in homogeneous and heterogeneous sand configurations. Inverse modeling was conducted to calibrate model parameters and determine model sensitivity to the observed steady-state saturation profiles. It is shown that FEHM is a powerful tool thatmore » is capable of capturing the experimentally observed out ow rates and saturation profiles. Moreover, FEHM captures the transition from single- to multi-phase flow and CO 2 gas accumulation at interfaces separating sands. We also derive a simple expression, based on Darcy's law, for the pressure at which CO 2 free phase gas is observed and show that it reliably predicts the location at which single-phase flow transitions to multi-phase flow.« less

Numerical investigation of the pseudopotential lattice Boltzmann modeling of liquid-vapor for multi-phase flows

NASA Astrophysics Data System (ADS)

Nemati, Maedeh; Shateri Najaf Abady, Ali Reza; Toghraie, Davood; Karimipour, Arash

2018-01-01

The incorporation of different equations of state into single-component multiphase lattice Boltzmann model is considered in this paper. The original pseudopotential model is first detailed, and several cubic equations of state, the Redlich-Kwong, Redlich-Kwong-Soave, and Peng-Robinson are then incorporated into the lattice Boltzmann model. A comparison of the numerical simulation achievements on the basis of density ratios and spurious currents is used for presentation of the details of phase separation in these non-ideal single-component systems. The paper demonstrates that the scheme for the inter-particle interaction force term as well as the force term incorporation method matters to achieve more accurate and stable results. The velocity shifting method is demonstrated as the force term incorporation method, among many, with accuracy and stability results. Kupershtokh scheme also makes it possible to achieve large density ratio (up to 104) and to reproduce the coexistence curve with high accuracy. Significant reduction of the spurious currents at vapor-liquid interface is another observation. High-density ratio and spurious current reduction resulted from the Redlich-Kwong-Soave and Peng-Robinson EOSs, in higher accordance with the Maxwell construction results.

Direct numerical simulation of a combusting droplet with convection

NASA Technical Reports Server (NTRS)

Liang, Pak-Yan

1992-01-01

The evaporation and combustion of a single droplet under forced and natural convection was studied numerically from first principles using a numerical scheme that solves the time-dependent multiphase and multispecies Navier-Stokes equations and tracks the sharp gas-liquid interface cutting across an arbitrary Eulerian grid. The flow fields both inside and outside of the droplet are resolved in a unified fashion. Additional governing equations model the interphase mass, energy, and momentum exchange. Test cases involving iso-octane, n-hexane, and n-propanol droplets show reasonable comparison rate, and flame stand-off distance. The partially validated code is, thus, readied to be applied to more demanding droplet combustion situations where substantial drop deformation render classical models inadequate.

Numerical Simulation of Shock/Detonation-Deformable-Particle Interaction with Constrained Interface Reinitialization

NASA Astrophysics Data System (ADS)

Zhang, Ju; Jackson, Thomas; Balachandar, Sivaramakrishnan

2015-06-01

We will develop a computational model built upon our verified and validated in-house SDT code to provide improved description of the multiphase blast wave dynamics where solid particles are considered deformable and can even undergo phase transitions. Our SDT computational framework includes a reactive compressible flow solver with sophisticated material interface tracking capability and realistic equation of state (EOS) such as Mie-Gruneisen EOS for multiphase flow modeling. The behavior of diffuse interface models by Shukla et al. (2010) and Tiwari et al. (2013) at different shock impedance ratio will be first examined and characterized. The recent constrained interface reinitialization by Shukla (2014) will then be developed to examine if conservation property can be improved. This work was supported in part by the U.S. Department of Energy and by the Defense Threat Reduction Agency.

Methodologies for extracting kinetic constants for multiphase reacting flow simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, S.L.; Lottes, S.A.; Golchert, B.

1997-03-01

Flows in industrial reactors often involve complex reactions of many species. A computational fluid dynamics (CFD) computer code, ICRKFLO, was developed to simulate multiphase, multi-species reacting flows. The ICRKFLO uses a hybrid technique to calculate species concentration and reaction for a large number of species in a reacting flow. This technique includes a hydrodynamic and reacting flow simulation with a small but sufficient number of lumped reactions to compute flow field properties followed by a calculation of local reaction kinetics and transport of many subspecies (order of 10 to 100). Kinetic rate constants of the numerous subspecies chemical reactions aremore » difficult to determine. A methodology has been developed to extract kinetic constants from experimental data efficiently. A flow simulation of a fluid catalytic cracking (FCC) riser was successfully used to demonstrate this methodology.« less

Analytical approaches to optimizing system "Semiconductor converter-electric drive complex"

NASA Astrophysics Data System (ADS)

Kormilicin, N. V.; Zhuravlev, A. M.; Khayatov, E. S.

2018-03-01

In the electric drives of the machine-building industry, the problem of optimizing the drive in terms of mass-size indicators is acute. The article offers analytical methods that ensure the minimization of the mass of a multiphase semiconductor converter. In multiphase electric drives, the form of the phase current at which the best possible use of the "semiconductor converter-electric drive complex" for active materials is different from the sinusoidal form. It is shown that under certain restrictions on the phase current form, it is possible to obtain an analytical solution. In particular, if one assumes the shape of the phase current to be rectangular, the optimal shape of the control actions will depend on the width of the interpolar gap. In the general case, the proposed algorithm can be used to solve the problem under consideration by numerical methods.

3DHYDROGEOCHEM: A 3-DIMENSIONAL MODEL OF DENSITY-DEPENDENT SUBSURFACE FLOW AND THERMAL MULTISPECIES-MULTICOMPONENT HYDROGEOCHEMICAL TRANSPORT (EPA/600/SR-98/159)

EPA Science Inventory

This report presents a three-dimensional finite-element numerical model designed to simulate chemical transport in subsurface systems with temperature effect taken into account. The three-dimensional model is developed to provide (1) a tool of application, with which one is able ...

Dissolution of multicomponent bubbles. [gases in glass melts

NASA Technical Reports Server (NTRS)

Weinberg, M. C.; Subramanian, R. S.

1980-01-01

The behavior of an isolated, stationary, multicomponent gas bubble in a glassmelt containing several dissolved gases is considered. The relevant mass-transport equations are formulated and calculations are performed for the case of two diffusing gases using a quasi-stationary model and a numerical solution of the exact mass-transfer equations. The results obtained from these two approaches are compared. The factors which govern the dissolution or growth of a bubble are thermodynamic and kinetic in origin. The tendency of a bubble to grow or shrink at long times is controlled by departure from overall equilibrium, whereas the short-time bubble dynamics may be dominated by kinetic effects. As a result of the existence of these dual influences, maxima and/or minima occur in the functional dependence of the bubble radius on time.

On numerically pluricanonical cyclic coverings

NASA Astrophysics Data System (ADS)

Kulikov, V. S.; Kharlamov, V. M.

2014-10-01

We investigate some properties of cyclic coverings f\\colon Y\\to X (where X is a complex surface of general type) branched along smooth curves B\\subset X that are numerically equivalent to a multiple of the canonical class of X. Our main results concern coverings of surfaces of general type with p_g=0 and Miyaoka-Yau surfaces. In particular, such coverings provide new examples of multi-component moduli spaces of surfaces with given Chern numbers and new examples of surfaces that are not deformation equivalent to their complex conjugates.

Catalytic Isonitrile Insertions and Condensations Initiated by RNC–X Complexation

PubMed Central

Fleming, Fraser F.

2014-01-01

Isonitriles are delicately poised chemical entities capable of being coaxed to react as nucleophiles or electrophiles. Directing this tunable reactivity with metal and non-metal catalysts provides rapid access to a large array of complex nitrogenous structures ideally functionalized for medicinal applications. Isonitrile insertion into transition metal complexes has featured in numerous synthetic and mechanistic studies, leading to rapid deployment of isonitriles in numerous catalytic processes, including multicomponent reactions (MCR). Covering the literature from 1990–2014, the present review collates reaction types to highlight reactivity trends and allow catalyst comparison. PMID:25484847

User's manual for PANDA II: A computer code for calculating equations of state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kerley, G.I.

1991-07-18

PANDA is an interactive computer code that is used to compute equations of state (EOS) for many classes of materials over a wide range of densities and temperatures. The first step in the development of a general EOS model is to determine the EOS for a one- component system, consisting of a single solid or fluid phase and a single chemical species. The results of several such calculations can then be combined to construct EOS for multiphase and multicomponent systems. For one-component solids and fluids, PANDA offers a variety of options for modeling various contributions to the EOS: the zeromore » Kelvin isotherm, lattice vibrations, fluid degrees of freedom, thermal electronic excitation and ionization, and molecular vibrational and rotational degrees of freedom. Two options are available for computing EOS for multicomponent systems from separate EOS for the individual species and phases. The phase transition model is used for a system of immiscible phases, each having the same chemical composition. In the mixture model, the components can be either miscible or immiscible and can have different chemical compositions; mixtures cab be either inert or reactive. PANDA provides over 50 commands that are used to define the EOS models, to make calculations and compare the models to experimental data, and to generate and maintain tabular EOS libraries for use in hydrocodes and other applications. Versions of the code available for the Cray (UNICOS and CTSS), SUN (UNIX), and VAX(VMS) machines, and a small version is available for personal computers (DOS). This report describes the EOS models, use of the commands, and several sample problems. 92 refs., 7 figs., 10 tabs.« less

Foundations of modeling in cryobiology-I: concentration, Gibbs energy, and chemical potential relationships.

PubMed

Anderson, Daniel M; Benson, James D; Kearsley, Anthony J

2014-12-01

Mathematical modeling plays an enormously important role in understanding the behavior of cells, tissues, and organs undergoing cryopreservation. Uses of these models range from explanation of phenomena, exploration of potential theories of damage or success, development of equipment, and refinement of optimal cryopreservation/cryoablation strategies. Over the last half century there has been a considerable amount of work in bio-heat and mass-transport, and these models and theories have been readily and repeatedly applied to cryobiology with much success. However, there are significant gaps between experimental and theoretical results that suggest missing links in models. One source for these potential gaps is that cryobiology is at the intersection of several very challenging aspects of transport theory: it couples multi-component, moving boundary, multiphase solutions that interact through a semipermeable elastic membrane with multicomponent solutions in a second time-varying domain, during a two-hundred Kelvin temperature change with multi-molar concentration gradients and multi-atmosphere pressure changes. In order to better identify potential sources of error, and to point to future directions in modeling and experimental research, we present a three part series to build from first principles a theory of coupled heat and mass transport in cryobiological systems accounting for all of these effects. The hope of this series is that by presenting and justifying all steps, conclusions may be made about the importance of key assumptions, perhaps pointing to areas of future research or model development, but importantly, lending weight to standard simplification arguments that are often made in heat and mass transport. In this first part, we review concentration variable relationships, their impact on choices for Gibbs energy models, and their impact on chemical potentials. Copyright © 2014 Elsevier Inc. All rights reserved.

Discrete fracture modeling of multiphase flow and hydrocarbon production in fractured shale or low permeability reservoirs

NASA Astrophysics Data System (ADS)

Hao, Y.; Settgast, R. R.; Fu, P.; Tompson, A. F. B.; Morris, J.; Ryerson, F. J.

2016-12-01

It has long been recognized that multiphase flow and transport in fractured porous media is very important for various subsurface applications. Hydrocarbon fluid flow and production from hydraulically fractured shale reservoirs is an important and complicated example of multiphase flow in fractured formations. The combination of horizontal drilling and hydraulic fracturing is able to create extensive fracture networks in low permeability shale rocks, leading to increased formation permeability and enhanced hydrocarbon production. However, unconventional wells experience a much faster production decline than conventional hydrocarbon recovery. Maintaining sustainable and economically viable shale gas/oil production requires additional wells and re-fracturing. Excessive fracturing fluid loss during hydraulic fracturing operations may also drive up operation costs and raise potential environmental concerns. Understanding and modeling processes that contribute to decreasing productivity and fracturing fluid loss represent a critical component for unconventional hydrocarbon recovery analysis. Towards this effort we develop a discrete fracture model (DFM) in GEOS (LLNL multi-physics computational code) to simulate multiphase flow and transfer in hydraulically fractured reservoirs. The DFM model is able to explicitly account for both individual fractures and their surrounding rocks, therefore allowing for an accurate prediction of impacts of fracture-matrix interactions on hydrocarbon production. We apply the DFM model to simulate three-phase (water, oil, and gas) flow behaviors in fractured shale rocks as a result of different hydraulic stimulation scenarios. Numerical results show that multiphase flow behaviors at the fracture-matrix interface play a major role in controlling both hydrocarbon production and fracturing fluid recovery rates. The DFM model developed in this study will be coupled with the existing hydro-fracture model to provide a fully integrated geomechanical and reservoir simulation capability for an accurate prediction and assessment of hydrocarbon production and hydraulic fracturing performance. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Modeling of Thermal Performance of Multiphase Nuclear Fuel Cell Under Variable Gravity Conditions

NASA Technical Reports Server (NTRS)

Ding, Z.; Anghaie, S.

1996-01-01

A unique numerical method has been developed to model the dynamic processes of bulk evaporation and condensation processes, associated with internal heat generation and natural convection under different gravity levels. The internal energy formulation, for the bulk liquid-vapor phase change problems in an encapsulated container, was employed. The equations, governing the conservation of mass, momentum and energy for both phases involved in phase change, were solved. The thermal performance of a multiphase uranium tetra-fluoride fuel element under zero gravity, micro-gravity and normal gravity conditions has been investigated. The modeling yielded results including the evolution of the bulk liquid-vapor phase change process, the evolution of the liquid-vapor interface, the formation and development of the liquid film covering the side wall surface, the temperature distribution and the convection flow field in the fuel element. The strong dependence of the thermal performance of such multiphase nuclear fuel cell on the gravity condition has been revealed. Under all three gravity conditions, 0-g, 10(exp -3)-g, and 1-g, the liquid film is formed and covers the entire side wall. The liquid film covering the side wall is more isothermalized at the wall surface, which can prevent the side wall from being over-heated. As the gravity increases, the liquid film is thinner, the temperature gradient is larger across the liquid film and smaller across the vapor phase. This investigation provides valuable information about the thermal performance of multi-phase nuclear fuel element for the potential space and ground applications.

Finite-volume WENO scheme for viscous compressible multicomponent flows

PubMed Central

Coralic, Vedran; Colonius, Tim

2014-01-01

We develop a shock- and interface-capturing numerical method that is suitable for the simulation of multicomponent flows governed by the compressible Navier-Stokes equations. The numerical method is high-order accurate in smooth regions of the flow, discretely conserves the mass of each component, as well as the total momentum and energy, and is oscillation-free, i.e. it does not introduce spurious oscillations at the locations of shockwaves and/or material interfaces. The method is of Godunov-type and utilizes a fifth-order, finite-volume, weighted essentially non-oscillatory (WENO) scheme for the spatial reconstruction and a Harten-Lax-van Leer contact (HLLC) approximate Riemann solver to upwind the fluxes. A third-order total variation diminishing (TVD) Runge-Kutta (RK) algorithm is employed to march the solution in time. The derivation is generalized to three dimensions and nonuniform Cartesian grids. A two-point, fourth-order, Gaussian quadrature rule is utilized to build the spatial averages of the reconstructed variables inside the cells, as well as at cell boundaries. The algorithm is therefore fourth-order accurate in space and third-order accurate in time in smooth regions of the flow. We corroborate the properties of our numerical method by considering several challenging one-, two- and three-dimensional test cases, the most complex of which is the asymmetric collapse of an air bubble submerged in a cylindrical water cavity that is embedded in 10% gelatin. PMID:25110358

Finite-volume WENO scheme for viscous compressible multicomponent flows.

PubMed

Coralic, Vedran; Colonius, Tim

2014-10-01

We develop a shock- and interface-capturing numerical method that is suitable for the simulation of multicomponent flows governed by the compressible Navier-Stokes equations. The numerical method is high-order accurate in smooth regions of the flow, discretely conserves the mass of each component, as well as the total momentum and energy, and is oscillation-free, i.e. it does not introduce spurious oscillations at the locations of shockwaves and/or material interfaces. The method is of Godunov-type and utilizes a fifth-order, finite-volume, weighted essentially non-oscillatory (WENO) scheme for the spatial reconstruction and a Harten-Lax-van Leer contact (HLLC) approximate Riemann solver to upwind the fluxes. A third-order total variation diminishing (TVD) Runge-Kutta (RK) algorithm is employed to march the solution in time. The derivation is generalized to three dimensions and nonuniform Cartesian grids. A two-point, fourth-order, Gaussian quadrature rule is utilized to build the spatial averages of the reconstructed variables inside the cells, as well as at cell boundaries. The algorithm is therefore fourth-order accurate in space and third-order accurate in time in smooth regions of the flow. We corroborate the properties of our numerical method by considering several challenging one-, two- and three-dimensional test cases, the most complex of which is the asymmetric collapse of an air bubble submerged in a cylindrical water cavity that is embedded in 10% gelatin.

Racial Bias in Personality Assessment: Using the MMPI-2 to Predict Psychiatric Diagnoses of African American and Caucasian Chemical Dependency Inpatients

ERIC Educational Resources Information Center

Monnot, Matthew J.; Quirk, Stuart W.; Hoerger, Michael; Brewer, Linda

2009-01-01

An assessment of predictive bias was conducted on numerous scales of the Minnesota Multiphasic Personality Inventory-2 (MMPI-2; J. N. Butcher, W. G. Dahlstrom, J. R. Graham, A. Tellegen, & B. Kaemmer, 1989), including the Restructured Clinical (RC) scales, in the prediction of clinical diagnostic status for African American and Caucasian male…

Geothermal reservoir simulation

NASA Technical Reports Server (NTRS)

Mercer, J. W., Jr.; Faust, C.; Pinder, G. F.

1974-01-01

The prediction of long-term geothermal reservoir performance and the environmental impact of exploiting this resource are two important problems associated with the utilization of geothermal energy for power production. Our research effort addresses these problems through numerical simulation. Computer codes based on the solution of partial-differential equations using finite-element techniques are being prepared to simulate multiphase energy transport, energy transport in fractured porous reservoirs, well bore phenomena, and subsidence.

Pre-existing normal faults have limited control on the rift geometry of the northern North Sea

NASA Astrophysics Data System (ADS)

Claringbould, Johan S.; Bell, Rebecca E.; Jackson, Christopher A.-L.; Gawthorpe, Robert L.; Odinsen, Tore

2017-10-01

Many rifts develop in response to multiphase extension with numerical and physical models suggesting that reactivation of first-phase normal faults and rift-related variations in bulk crustal rheology control the evolution and final geometry of subsequent rifts. However, many natural multiphase rifts are deeply buried and thus poorly exposed in the field and poorly imaged in seismic reflection data, making it difficult to test these models. Here we integrate recent 3D seismic reflection and borehole data across the entire East Shetland Basin, northern North Sea, to constrain the long-term, regional development of this multiphase rift. We document the following key stages of basin development: (i) pre-Triassic to earliest Triassic development of multiple sub-basins controlled by widely distributed, NNW- to NE-trending, east- and west-dipping faults; (ii) Triassic activity on a single major, NE-trending, west-dipping fault located near the basins western margin, and formation of a large half-graben; and (iii) Jurassic development of a large, E-dipping, N- to NE-trending half-graben near the eastern margin of the basin, which was associated with rift narrowing and strain focusing in the Viking Graben. In contrast to previous studies, which argue for two discrete periods of rifting during the Permian-Triassic and Late Jurassic-Early Cretaceous, we find that rifting in the East Shetland Basin was protracted from pre-Triassic to Cretaceous. We find that, during the Jurassic, most pre-Jurassic normal faults were buried and in some cases cross-cut by newly formed faults, with only a few being reactivated. Previously developed faults thus had only a limited control on the evolution and geometry of the later rift. We instead argue that strain migration and rift narrowing was linked to the evolving thermal state of the lithosphere, an interpretation supporting the predictions of lithosphere-scale numerical models. Our study indicates that additional regional studies of natural rifts are required to test and refine the predictions of physical and numerical models, more specifically, our study suggests models not explicitly recognising or including thermal or rheological effects might over emphasise the role of discrete pre-existing rift structures such as normal faults.

Harmonically mode-locked erbium-doped waveguide laser

NASA Astrophysics Data System (ADS)

Fanto, Michael L.; Malowicki, John E.; Bussjager, Rebecca J.; Johns, Steven T.; Vettese, Elizabeth K.; Hayduk, Michael J.

2004-08-01

The generation of ultrastable picosecond pulses in the 1550 nm range is required for numerous applications that include photonic analog-to-digital converter systems and high-bit rate optical communication systems. Mode-locked erbium-doped fiber ring lasers (EDFLs) are typically used to generate pulses at this wavelength. In addition to timing stability and output power, the physical size of the laser cavity is of primary importance to the Air Force. The length of the erbium (Er)-doped fiber used as the gain medium may be on the order of meters or even tens of meters which adds complexity to packaging. However, with the recent advancements in the production of multi-component glasses, higher doping concentrations can be achieved as compared to silicate glasses. Even more recent is the introduction of Er-doped multi-component glass waveguides, thus allowing the overall footprint of the gain medium to be reduced. We have constructed a novel harmonically mode-locked fiber ring laser using the Er-doped multi-component glass waveguide as the gain medium. The performance characteristics of this Er-doped waveguide laser (EDWL) including pulse width, spectral width, harmonic suppression, optical output power, laser stability and single sideband residual phase noise will be discussed in this paper.

Pairwise Interaction Extended Point-Particle (PIEP) model for multiphase jets and sedimenting particles

NASA Astrophysics Data System (ADS)

Liu, Kai; Balachandar, S.

2017-11-01

We perform a series of Euler-Lagrange direct numerical simulations (DNS) for multiphase jets and sedimenting particles. The forces the flow exerts on the particles in these two-way coupled simulations are computed using the Basset-Bousinesq-Oseen (BBO) equations. These forces do not explicitly account for particle-particle interactions, even though such pairwise interactions induced by the perturbations from neighboring particles may be important especially when the particle volume fraction is high. Such effects have been largely unaddressed in the literature. Here, we implement the Pairwise Interaction Extended Point-Particle (PIEP) model to simulate the effect of neighboring particle pairs. A simple collision model is also applied to avoid unphysical overlapping of solid spherical particles. The simulation results indicate that the PIEP model provides a more elaborative and complicated movement of the dispersed phase (droplets and particles). Office of Naval Research (ONR) Multidisciplinary University Research Initiative (MURI) project N00014-16-1-2617.

Automated contact angle estimation for three-dimensional X-ray microtomography data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Klise, Katherine A.; Moriarty, Dylan; Yoon, Hongkyu

2015-11-10

Multiphase flow in capillary regimes is a fundamental process in a number of geoscience applications. The ability to accurately define wetting characteristics of porous media can have a large impact on numerical models. In this paper, a newly developed automated three-dimensional contact angle algorithm is described and applied to high-resolution X-ray microtomography data from multiphase bead pack experiments with varying wettability characteristics. The algorithm calculates the contact angle by finding the angle between planes fit to each solid/fluid and fluid/fluid interface in the region surrounding each solid/fluid/fluid contact point. Results show that the algorithm is able to reliably compute contactmore » angles using the experimental data. The in situ contact angles are typically larger than flat surface laboratory measurements using the same material. Furthermore, wetting characteristics in mixed-wet systems also change significantly after displacement cycles.« less

ITOUGH2(UNIX). Inverse Modeling for TOUGH2 Family of Multiphase Flow Simulators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finsterle, S.

1999-03-01

ITOUGH2 provides inverse modeling capabilities for the TOUGH2 family of numerical simulators for non-isothermal multiphase flows in fractured-porous media. The ITOUGH2 can be used for estimating parameters by automatic modeling calibration, for sensitivity analyses, and for uncertainity propagation analyses (linear and Monte Carlo simulations). Any input parameter to the TOUGH2 simulator can be estimated based on any type of observation for which a corresponding TOUGH2 output is calculated. ITOUGH2 solves a non-linear least-squares problem using direct or gradient-based minimization algorithms. A detailed residual and error analysis is performed, which includes the evaluation of model identification criteria. ITOUGH2 can also bemore » run in forward mode, solving subsurface flow problems related to nuclear waste isolation, oil, gas, and geothermal resevoir engineering, and vadose zone hydrology.« less

Numerical Investigation of Vertical Plunging Jet Using a Hybrid Multifluid–VOF Multiphase CFD Solver

DOE PAGES

Shonibare, Olabanji Y.; Wardle, Kent E.

2015-06-28

A novel hybrid multiphase flow solver has been used to conduct simulations of a vertical plunging liquid jet. This solver combines a multifluid methodology with selective interface sharpening to enable simulation of both the initial jet impingement and the long-time entrained bubble plume phenomena. Models are implemented for variable bubble size capturing and dynamic switching of interface sharpened regions to capture transitions between the initially fully segregated flow types into the dispersed bubbly flow regime. It was found that the solver was able to capture the salient features of the flow phenomena under study and areas for quantitative improvement havemore » been explored and identified. In particular, a population balance approach is employed and detailed calibration of the underlying models with experimental data is required to enable quantitative prediction of bubble size and distribution to capture the transition between segregated and dispersed flow types with greater fidelity.« less

Overpressures in the Uinta Basin, Utah: Analysis using a three-dimensional basin evolution model

NASA Astrophysics Data System (ADS)

McPherson, Brian J. O. L.; Bredehoeft, John D.

2001-04-01

High pore fluid pressures, approaching lithostatic, are observed in the deepest sections of the Uinta basin, Utah. Geologic observations and previous modeling studies suggest that the most likely cause of observed overpressures is hydrocarbon generation. We studied Uinta overpressures by developing and applying a three-dimensional, numerical model of the evolution of the basin. The model was developed from a public domain computer code, with addition of a new mesh generator that builds the basin through time, coupling the structural, thermal, and hydrodynamic evolution. Also included in the model are in situ hydrocarbon generation and multiphase migration. The modeling study affirmed oil generation as an overpressure mechanism, but also elucidated the relative roles of multiphase fluid interaction, oil density and viscosity, and sedimentary compaction. An important result is that overpressures by oil generation create conditions for rock fracturing, and associated fracture permeability may regulate or control the propensity to maintain overpressures.

Numerical simulation for the air entrainment of aerated flow with an improved multiphase SPH model

NASA Astrophysics Data System (ADS)

Wan, Hang; Li, Ran; Pu, Xunchi; Zhang, Hongwei; Feng, Jingjie

2017-11-01

Aerated flow is a complex hydraulic phenomenon that exists widely in the field of environmental hydraulics. It is generally characterised by large deformation and violent fragmentation of the free surface. Compared to Euler methods (volume of fluid (VOF) method or rigid-lid hypothesis method), the existing single-phase Smooth Particle Hydrodynamics (SPH) method has performed well for solving particle motion. A lack of research on interphase interaction and air concentration, however, has affected the application of SPH model. In our study, an improved multiphase SPH model is presented to simulate aeration flows. A drag force was included in the momentum equation to ensure accuracy of the air particle slip velocity. Furthermore, a calculation method for air concentration is developed to analyse the air entrainment characteristics. Two studies were used to simulate the hydraulic and air entrainment characteristics. And, compared with the experimental results, the simulation results agree with the experimental results well.

Unstructured Finite Elements and Dynamic Meshing for Explicit Phase Tracking in Multiphase Problems

NASA Astrophysics Data System (ADS)

Chandra, Anirban; Yang, Fan; Zhang, Yu; Shams, Ehsan; Sahni, Onkar; Oberai, Assad; Shephard, Mark

2017-11-01

Multi-phase processes involving phase change at interfaces, such as evaporation of a liquid or combustion of a solid, represent an interesting class of problems with varied applications. Large density ratio across phases, discontinuous fields at the interface and rapidly evolving geometries are some of the inherent challenges which influence the numerical modeling of multi-phase phase change problems. In this work, a mathematically consistent and robust computational approach to address these issues is presented. We use stabilized finite element methods on mixed topology unstructured grids for solving the compressible Navier-Stokes equations. Appropriate jump conditions derived from conservations laws across the interface are handled by using discontinuous interpolations, while the continuity of temperature and tangential velocity is enforced using a penalty parameter. The arbitrary Lagrangian-Eulerian (ALE) technique is utilized to explicitly track the interface motion. Mesh at the interface is constrained to move with the interface while elsewhere it is moved using the linear elasticity analogy. Repositioning is applied to the layered mesh that maintains its structure and normal resolution. In addition, mesh modification is used to preserve the quality of the volumetric mesh. This work is supported by the U.S. Army Grants W911NF1410301 and W911NF16C0117.

Black hole feedback in a multiphase interstellar medium

NASA Astrophysics Data System (ADS)

Bourne, Martin A.; Nayakshin, Sergei; Hobbs, Alexander

2014-07-01

Ultrafast outflows (UFOs) from supermassive black holes (SMBHs) are thought to regulate the growth of SMBHs and host galaxies, resulting in a number of observational correlations. We present high-resolution numerical simulations of the impact of a thermalized UFO on the ambient gas in the inner part of the host galaxy. Our results depend strongly on whether the gas is homogeneous or clumpy. In the former case all of the ambient gas is driven outward rapidly as expected based on commonly used energy budget arguments, while in the latter the flows of mass and energy de-couple. Carrying most of the energy, the shocked UFO escapes from the bulge via paths of least resistance, taking with it only the low-density phase of the host. Most of the mass is however in the high-density phase, and is affected by the UFO much less strongly, and may even continue to flow inwards. We suggest that the UFO energy leakage through the pores in the multiphase interstellar medium (ISM) may explain why observed SMBHs are so massive despite their overwhelmingly large energy production rates. The multiphase ISM effects reported here are probably under-resolved in cosmological simulations but may be included in prescriptions for active galactic nuclei feedback in future simulations and in semi-analytical models.

The Effect of CaO on Gas/Slag/Matte/Tridymite Equilibria in Fayalite-Based Copper Smelting Slags at 1473 K (1200 °C) and P(SO2) = 0.25 Atm

NASA Astrophysics Data System (ADS)

Fallah-Mehrjardi, Ata; Hayes, Peter C.; Jak, Evgueni

2018-04-01

Fundamental experimental studies have been undertaken to determine the effect of CaO on the equilibria between the gas phase (CO/CO2/SO2/Ar) and slag/matte/tridymite phases in the Cu-Fe-O-S-Si-Ca system at 1473 K (1200 °C) and P(SO2) = 0.25 atm. The experimental methodology developed in the Pyrometallurgy Innovation Centre was used. New experimental data have been obtained for the four-phase equilibria system for fixed concentrations of CaO (up to 4 wt pct) in the slag phase as a function of copper concentration in matte, including the concentrations of dissolved sulfur and copper in slag, and Fe/SiO2 ratios in slag at tridymite saturation. The new data provided in the present study are of direct relevance to the pyrometallurgical processing of copper and will be used as an input to optimize the thermodynamic database for the copper-containing multi-component multi-phase system.

Preemptive vortex-loop proliferation in multicomponent interacting Bose-Einstein condensates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dahl, E. K.; Kragset, S.; Sudboe, A.

2008-04-01

We use analytical arguments and large-scale Monte Carlo calculations to investigate the nature of the phase transitions between distinct complex superfluid phases in a two-component Bose-Einstein condensate when a nondissipative drag between the two components is being varied. We focus on understanding the role of topological defects in various phase transitions and develop vortex-matter arguments, allowing an analytical description of the phase diagram. We find the behavior of fluctuation induced vortex matter to be much more complex and substantially different from that of single-component superfluids. We propose and numerically investigate a drag-induced ''preemptive vortex loop proliferation'' scenario. Such a transitionmore » may be a quite generic feature in many multicomponent systems where symmetry is restored by a gas of several kinds of competing vortex loops.« less

Phase-field modeling of isothermal quasi-incompressible multicomponent liquids

NASA Astrophysics Data System (ADS)

Tóth, Gyula I.

2016-09-01

In this paper general dynamic equations describing the time evolution of isothermal quasi-incompressible multicomponent liquids are derived in the framework of the classical Ginzburg-Landau theory of first order phase transformations. Based on the fundamental equations of continuum mechanics, a general convection-diffusion dynamics is set up first for compressible liquids. The constitutive relations for the diffusion fluxes and the capillary stress are determined in the framework of gradient theories. Next the general definition of incompressibility is given, which is taken into account in the derivation by using the Lagrange multiplier method. To validate the theory, the dynamic equations are solved numerically for the quaternary quasi-incompressible Cahn-Hilliard system. It is demonstrated that variable density (i) has no effect on equilibrium (in case of a suitably constructed free energy functional) and (ii) can influence nonequilibrium pattern formation significantly.

Numerical Modeling of Buried Mine Explosions

DTIC Science & Technology

2001-03-01

Lawrence Livermore Laboratory Report, UCRL -50108, Rev. 1, June 1977. 12. Dobratz, B. M., and P. C. Crawford. “LLNL Explosives Handbook.” Lawrence...Livermore National Laboratory Report, UCRL -52997, January 1985. 13. Kerley, G. I. “Multiphase Equation of State for Iron.” Sandia National Laboratories...BOX 202797 AUSTIN TX 78720-2797 1 DARPA B KASPAR 3701 N FAIRFAX DR ARLINGTON VA 22203-1714 1 US MILITARY ACADEMY MATH SCI

A Conformal, Fully-Conservative Approach for Predicting Blast Effects on Ground Vehicles

DTIC Science & Technology

2014-04-01

time integration  Approximate Riemann Fluxes (HLLE, HLLC) ◦ Robust mixture model for multi-material flows  Multiple Equations of State ◦ Perfect Gas...Loci/CHEM: Chemically reacting compressible flow solver . ◦ Currently in production use by NASA for the simulation of rocket motors, plumes, and...vehicles  Loci/DROPLET: Eulerian and Lagrangian multiphase solvers  Loci/STREAM: pressure-based solver ◦ Developed by Streamline Numerics and

The radial growth phase of malignant melanoma: multi-phase modelling, numerical simulations and linear stability analysis.

PubMed

Ciarletta, P; Foret, L; Ben Amar, M

2011-03-06

Cutaneous melanoma is disproportionately lethal despite its relatively low incidence and its potential for cure in the early stages. The aim of this study is to foster understanding of the role of microstructure on the occurrence of morphological changes in diseased skin during melanoma evolution. The authors propose a biomechanical analysis of its radial growth phase, investigating the role of intercellular/stromal connections on the initial stages of epidermis invasion. The radial growth phase of a primary melanoma is modelled within the multi-phase theory of mixtures, reproducing the mechanical behaviour of the skin layers and of the epidermal-dermal junction. The theoretical analysis takes into account those cellular processes that have been experimentally observed to disrupt homeostasis in normal epidermis. Numerical simulations demonstrate that the loss of adhesiveness of the melanoma cells both to the basal laminae, caused by deregulation mechanisms of adherent junctions, and to adjacent keratynocytes, consequent to a downregulation of E-cadherin, are the fundamental biomechanical features for promoting tumour initiation. Finally, the authors provide the mathematical proof of a long wavelength instability of the tumour front during the early stages of melanoma invasion. These results open the perspective to correlate the early morphology of a growing melanoma with the biomechanical characteristics of its micro-environment.

Cavitating Propeller Performance in Inclined Shaft Conditions with OpenFOAM: PPTC 2015 Test Case

NASA Astrophysics Data System (ADS)

Gaggero, Stefano; Villa, Diego

2018-05-01

In this paper, we present our analysis of the non-cavitating and cavitating unsteady performances of the Potsdam Propeller Test Case (PPTC) in oblique flow. For our calculations, we used the Reynolds-averaged Navier-Stokes equation (RANSE) solver from the open-source OpenFOAM libraries. We selected the homogeneous mixture approach to solve for multiphase flow with phase change, using the volume of fluid (VoF) approach to solve the multiphase flow and modeling the mass transfer between vapor and water with the Schnerr-Sauer model. Comparing the model results with the experimental measurements collected during the Second Workshop on Cavitation and Propeller Performance - SMP'15 enabled our assessment of the reliability of the open-source calculations. Comparisons with the numerical data collected during the workshop enabled further analysis of the reliability of different flow solvers from which we produced an overview of recommended guidelines (mesh arrangements and solver setups) for accurate numerical prediction even in off-design conditions. Lastly, we propose a number of calculations using the boundary element method developed at the University of Genoa for assessing the reliability of this dated but still widely adopted approach for design and optimization in the preliminary stages of very demanding test cases.

Numerical modelling of multiphase liquid-vapor-gas flows with interfaces and cavitation

NASA Astrophysics Data System (ADS)

Pelanti, Marica

2017-11-01

We are interested in the simulation of multiphase flows where the dynamical appearance of vapor cavities and evaporation fronts in a liquid is coupled to the dynamics of a third non-condensable gaseous phase. We describe these flows by a single-velocity three-phase compressible flow model composed of the phasic mass and total energy equations, the volume fraction equations, and the mixture momentum equation. The model includes stiff mechanical and thermal relaxation source terms for all the phases, and chemical relaxation terms to describe mass transfer between the liquid and vapor phases of the species that may undergo transition. The flow equations are solved by a mixture-energy-consistent finite volume wave propagation scheme, combined with simple and robust procedures for the treatment of the stiff relaxation terms. An analytical study of the characteristic wave speeds of the hierarchy of relaxed models associated to the parent model system is also presented. We show several numerical experiments, including two-dimensional simulations of underwater explosive phenomena where highly pressurized gases trigger cavitation processes close to a rigid surface or to a free surface. This work was supported by the French Government Grant DGA N. 2012.60.0011.00.470.75.01, and partially by the Norwegian Grant RCN N. 234126/E30.

A Simplified Model for Multiphase Leakage through Faults with Applications for CO2 Storage

NASA Astrophysics Data System (ADS)

Watson, F. E.; Doster, F.

2017-12-01

In the context of geological CO2 storage, faults in the subsurface could affect storage security by acting as high permeability pathways which allow CO2 to flow upwards and away from the storage formation. To assess the likelihood of leakage through faults and the impacts faults might have on storage security numerical models are required. However, faults are complex geological features, usually consisting of a fault core surrounded by a highly fractured damage zone. A direct representation of these in a numerical model would require very fine grid resolution and would be computationally expensive. Here, we present the development of a reduced complexity model for fault flow using the vertically integrated formulation. This model captures the main features of the flow but does not require us to resolve the vertical dimension, nor the fault in the horizontal dimension, explicitly. It is thus less computationally expensive than full resolution models. Consequently, we can quickly model many realisations for parameter uncertainty studies of CO2 injection into faulted reservoirs. We develop the model based on explicitly simulating local 3D representations of faults for characteristic scenarios using the Matlab Reservoir Simulation Toolbox (MRST). We have assessed the impact of variables such as fault geometry, porosity and permeability on multiphase leakage rates.

The radial growth phase of malignant melanoma: multi-phase modelling, numerical simulations and linear stability analysis

PubMed Central

Ciarletta, P.; Foret, L.; Ben Amar, M.

2011-01-01

Cutaneous melanoma is disproportionately lethal despite its relatively low incidence and its potential for cure in the early stages. The aim of this study is to foster understanding of the role of microstructure on the occurrence of morphological changes in diseased skin during melanoma evolution. The authors propose a biomechanical analysis of its radial growth phase, investigating the role of intercellular/stromal connections on the initial stages of epidermis invasion. The radial growth phase of a primary melanoma is modelled within the multi-phase theory of mixtures, reproducing the mechanical behaviour of the skin layers and of the epidermal–dermal junction. The theoretical analysis takes into account those cellular processes that have been experimentally observed to disrupt homeostasis in normal epidermis. Numerical simulations demonstrate that the loss of adhesiveness of the melanoma cells both to the basal laminae, caused by deregulation mechanisms of adherent junctions, and to adjacent keratynocytes, consequent to a downregulation of E-cadherin, are the fundamental biomechanical features for promoting tumour initiation. Finally, the authors provide the mathematical proof of a long wavelength instability of the tumour front during the early stages of melanoma invasion. These results open the perspective to correlate the early morphology of a growing melanoma with the biomechanical characteristics of its micro-environment. PMID:20656740

Radii effect on the translation spring constant of force transducer beams

NASA Technical Reports Server (NTRS)

Scott, C. E.

1992-01-01

Multi-component strain-gage force transducer design requires the designer to determine the spring constant of the numerous beams or flexures incorporated in the transducer. The classical beam deflection formulae that are used in calculating these spring constants typically assume that the beam has a uniform moment of inertia along the entire beam length. In practice all beams have a radius at the end where the beam interfaces with the shoulder of the transducer, and on short beams in particular this increases the beam spring constant considerably. A Basic computer program utilizing numerical integration is presented to determine this effect.

Micro-positron emission tomography for measuring sub-core scale single and multiphase transport parameters in porous media

NASA Astrophysics Data System (ADS)

Zahasky, Christopher; Benson, Sally M.

2018-05-01

Accurate descriptions of heterogeneity in porous media are important for understanding and modeling single phase (e.g. contaminant transport, saltwater intrusion) and multiphase (e.g. geologic carbon storage, enhanced oil recovery) transport problems. Application of medical imaging to experimentally quantify these processes has led to significant progress in material characterization and understanding fluid transport behavior at laboratory scales. While widely utilized in cancer diagnosis and management, cardiology, and neurology, positron emission tomography (PET) has had relatively limited applications in earth science. This study utilizes a small-bore micro-PET scanner to image and quantify the transport behavior of pulses of a conservative aqueous radiotracer injected during single and multiphase flow experiments in two heterogeneous Berea sandstone cores. The cores are discretized into axial-parallel streamtubes, and using the reconstructed micro-PET data, expressions are derived from spatial moment analysis for calculating sub-core tracer flux and pore water velocity. Using the flux and velocity measurements, it is possible to calculate porosity and saturation from volumetric flux balance, and calculate permeability and water relative permeability from Darcy's law. Second spatial moment analysis enables measurement of sub-core solute dispersion during both single phase and multiphase experiments. A numerical simulation model is developed to verify the assumptions of the streamtube dimension reduction technique. A variation of the reactor ratio is presented as a diagnostic metric to efficiently determine the validity of the streamtube approximation in core and column-scale experiments. This study introduces a new method to quantify sub-core permeability, relative permeability, and dispersion. These experimental and analytical methods provide a foundation for future work on experimental measurements of differences in transport behavior across scales.

Statistical representation of a spray as a point process

NASA Astrophysics Data System (ADS)

Subramaniam, S.

2000-10-01

The statistical representation of a spray as a finite point process is investigated. One objective is to develop a better understanding of how single-point statistical information contained in descriptions such as the droplet distribution function (ddf), relates to the probability density functions (pdfs) associated with the droplets themselves. Single-point statistical information contained in the droplet distribution function (ddf) is shown to be related to a sequence of single surrogate-droplet pdfs, which are in general different from the physical single-droplet pdfs. It is shown that the ddf contains less information than the fundamental single-point statistical representation of the spray, which is also described. The analysis shows which events associated with the ensemble of spray droplets can be characterized by the ddf, and which cannot. The implications of these findings for the ddf approach to spray modeling are discussed. The results of this study also have important consequences for the initialization and evolution of direct numerical simulations (DNS) of multiphase flows, which are usually initialized on the basis of single-point statistics such as the droplet number density in physical space. If multiphase DNS are initialized in this way, this implies that even the initial representation contains certain implicit assumptions concerning the complete ensemble of realizations, which are invalid for general multiphase flows. Also the evolution of a DNS initialized in this manner is shown to be valid only if an as yet unproven commutation hypothesis holds true. Therefore, it is questionable to what extent DNS that are initialized in this manner constitute a direct simulation of the physical droplets. Implications of these findings for large eddy simulations of multiphase flows are also discussed.

An immersed boundary method for fluid-structure interaction with compressible multiphase flows

NASA Astrophysics Data System (ADS)

Wang, Li; Currao, Gaetano M. D.; Han, Feng; Neely, Andrew J.; Young, John; Tian, Fang-Bao

2017-10-01

This paper presents a two-dimensional immersed boundary method for fluid-structure interaction with compressible multiphase flows involving large structure deformations. This method involves three important parts: flow solver, structure solver and fluid-structure interaction coupling. In the flow solver, the compressible multiphase Navier-Stokes equations for ideal gases are solved by a finite difference method based on a staggered Cartesian mesh, where a fifth-order accuracy Weighted Essentially Non-Oscillation (WENO) scheme is used to handle spatial discretization of the convective term, a fourth-order central difference scheme is employed to discretize the viscous term, the third-order TVD Runge-Kutta scheme is used to discretize the temporal term, and the level-set method is adopted to capture the multi-material interface. In this work, the structure considered is a geometrically non-linear beam which is solved by using a finite element method based on the absolute nodal coordinate formulation (ANCF). The fluid dynamics and the structure motion are coupled in a partitioned iterative manner with a feedback penalty immersed boundary method where the flow dynamics is defined on a fixed Lagrangian grid and the structure dynamics is described on a global coordinate. We perform several validation cases (including fluid over a cylinder, structure dynamics, flow induced vibration of a flexible plate, deformation of a flexible panel induced by shock waves in a shock tube, an inclined flexible plate in a hypersonic flow, and shock-induced collapse of a cylindrical helium cavity in the air), and compare the results with experimental and other numerical data. The present results agree well with the published data and the current experiment. Finally, we further demonstrate the versatility of the present method by applying it to a flexible plate interacting with multiphase flows.

A review of solid-fluid selection options for optical-based measurements in single-phase liquid, two-phase liquid-liquid and multiphase solid-liquid flows

NASA Astrophysics Data System (ADS)

Wright, Stuart F.; Zadrazil, Ivan; Markides, Christos N.

2017-09-01

Experimental techniques based on optical measurement principles have experienced significant growth in recent decades. They are able to provide detailed information with high-spatiotemporal resolution on important scalar (e.g., temperature, concentration, and phase) and vector (e.g., velocity) fields in single-phase or multiphase flows, as well as interfacial characteristics in the latter, which has been instrumental to step-changes in our fundamental understanding of these flows, and the development and validation of advanced models with ever-improving predictive accuracy and reliability. Relevant techniques rely upon well-established optical methods such as direct photography, laser-induced fluorescence, laser Doppler velocimetry/phase Doppler anemometry, particle image/tracking velocimetry, and variants thereof. The accuracy of the resulting data depends on numerous factors including, importantly, the refractive indices of the solids and liquids used. The best results are obtained when the observational materials have closely matched refractive indices, including test-section walls, liquid phases, and any suspended particles. This paper reviews solid-liquid and solid-liquid-liquid refractive-index-matched systems employed in different fields, e.g., multiphase flows, turbomachinery, bio-fluid flows, with an emphasis on liquid-liquid systems. The refractive indices of various aqueous and organic phases found in the literature span the range 1.330-1.620 and 1.251-1.637, respectively, allowing the identification of appropriate combinations to match selected transparent or translucent plastics/polymers, glasses, or custom materials in single-phase liquid or multiphase liquid-liquid flow systems. In addition, the refractive indices of fluids can be further tuned with the use of additives, which also allows for the matching of important flow similarity parameters such as density and viscosity.

Impact of multicomponent ionic transport on pH fronts propagation in saturated porous media

NASA Astrophysics Data System (ADS)

Muniruzzaman, Muhammad; Rolle, Massimo

2016-04-01

Multicomponent ionic interactions have been increasingly recognized as important factors for the displacement of charged species in porous media under both diffusion- [1,2] and advection-dominated flow regimes [3,4]. In this study we investigate the propagation of pH fronts during multicomponent ionic transport in saturated porous media under flow-through conditions. By performing laboratory bench-scale experiments combined with numerical modeling we show the important influence of Coulombic effects on proton transport in the presence of ionic admixtures. The experiments were performed in a quasi two-dimensional flow-through setup under steady-state flow and transport conditions. Dilute solutions of hydrochloric acid with MgCl2 (1:2 strong electrolyte) were used as tracer solutions to experimentally test the effect of electrochemical cross-coupling on the migration of diffusive/dispersive pH fronts. We focus on two experimental scenarios, with different composition of tracer solutions, causing remarkably different effects on the propagation of the acidic fronts with relative differences in the penetration depth of pH fronts of 36% between the two scenarios and of 25% and 15% for each scenario with respect to the transport of ions at liberated state (i.e., without considering the charge effects). Also significant differences in the dilution of the distinct ionic plumes, quantified using the flux-related dilution index at the laboratory bench scale [5], were measured at the outflow of the flow-through system. The dilution of the pH plumes also changed considerably (26% relative difference) in the two flow-through experiments only due to the different composition of the pore water solution and to the electrostatic coupling of the ions in the flow-through setups. Numerical transport simulations were performed to interpret the laboratory experiments. The simulations were based on a multicomponent ionic formulation accurately capturing the Coulombic interactions between the transported ions in the flow-through system. The results of purely forward simulations show a very good agreement with the high-resolution measurements performed at the outlet of the flow-through setup and illustrate the importance of charge effects on pH fronts propagation in porous media. [1] Giambalvo, E. R., C. I. Steefel, A. T. Fisher, N. D. Rosenberg, and C. G. Wheat (2002), Effect of fluid-sediment reaction on hydrothermal fluxes of major elements, eastern flank of the Juan de Fuca Ridge, Geochim. Cosmochim. Acta, 66, 1739-1757. [2] Appelo, C. A. J., and P. Wersin (2007), Multicomponent diffusion modeling in clay systems with application to the diffusion of tritium, iodide, and sodium in opalinus clay, Environ. Sci. Technol., 41, 5002-5007. [3] Rolle, M., M. Muniruzzaman, C. M. Haberer, and P. Grathwohl (2013), Coulombic effects in advection-dominated transport of electrolytes in porous media: Multicomponent ionic dispersion, Geochim. Cosmochim. Acta, 120, 195-205. [4] Muniruzzaman, M., C. M. Haberer, P. Grathwohl, and M. Rolle (2014), Multicomponent ionic dispersion during transport of electrolytes in heterogeneous porous media: Experiments and model-based interpretation, Geochim. Cosmochim. Acta, 141, 656-669. [5] Rolle, M., G. Chiogna, D. L. Hochstetler, and P. K. Kitanidis (2013), On the importance of diffusion and compound-specific mixing for groundwater transport: An investigation from pore to field scale, J. Contam. Hydrol., 153, 51-68.

Experimental and numerical investigations on freeze-drying of porous media with prebuilt porosity

NASA Astrophysics Data System (ADS)

Wang, Wei; Yang, Jing; Hu, Dapeng; Pan, Yanqiu; Wang, Shihao; Chen, Guohua

2018-05-01

Freeze-drying of initially porous frozen material was investigated aimed at improving the process economics by reducing drying time and raising productivity. Experimental results showed that freeze-drying can be significantly enhanced by the frozen material with prebuilt porosity, and about 31% of drying time can be saved compared with the conventionally solid frozen material under the tested operating conditions. A multiphase transport model was formulated based on the local mass non-equilibrium assumption. Numerical results showed excellent agreements between measured and predicted drying curves. Analyses of saturation and temperature profiles displayed that volumetric sublimation-desorption can occur for the initially porous frozen material.

Experimental and multiphase analysis of nanofluids on the conjugate performance of micro-channel at low Reynolds numbers

NASA Astrophysics Data System (ADS)

Nimmagadda, Rajesh; Venkatasubbaiah, K.

2017-06-01

The present study investigates the laminar forced convection flow of single walled carbon nanotube (SWCNT), gold (Au), aluminum oxide (Al2O3), silver (Ag) and hybrid (Al2O3 + Ag) nanofluids (HyNF) in a wide rectangular micro-channel at low Reynolds numbers. The heat transfer characteristics of de-ionized (DI) water and SWCNT nanofluid with different nanoparticle volume concentrations have been experimental studied. Furthermore, numerical study has also been carried out to investigate the flow and heat transfer characteristics of DI water, SWCNT, Au, Al2O3, Ag and HyNF at different Reynolds numbers with different nanoparticle volume concentrations and particle diameters. The numerical study consider the effects of both inertial and viscous forces by solving the full Navier-Stokes equations at low Reynolds numbers. A two dimensional conjugate heat transfer multiphase mixture model has been developed and used for numerical study. A significant enhancement in the average Nusselt number is observed both experimentally and numerically for nanofluids. The study presents four optimized combinations of nanofluids (1 vol% SWCNT and 1 vol% Au with d_p = 50 nm), (2 vol% SWCNT and 3 vol% Au with d_p = 70 nm), (3 vol% Al2O3 and 2 vol% Au with d_p = 70 nm) as well as (3 vol% HyNF (2.4% Al2O3 + 0.6% Ag) and 3 vol% Au with d_p = 50 nm) that provides a better switching option in choosing efficient working fluid with minimum cost based on cooling requirement. The conduction phenomenon of the solid region at bottom of the micro-channel is considered in the present investigation. This phenomenon shows that the interface temperature between solid and fluid region increases along the length of the channel. The present results has been validated with the experimental and numerical results available in the literature.

A Randomized Controlled Trial of the Social Tools and Rules for Teens (START) Program: An Immersive Socialization Intervention for Adolescents with Autism Spectrum Disorder

ERIC Educational Resources Information Center

Vernon, Ty W.; Miller, Amber R.; Ko, Jordan A.; Barrett, Amy C.; McGarry, Elizabeth S.

2018-01-01

Adolescents with ASD face numerous personal and contextual barriers that impede the development of social motivation and core competencies, warranting the need for targeted intervention. A randomized controlled trial was conducted with 40 adolescents to evaluate the merits of a multi-component socialization intervention that places emphasis on…

Numerical studies of unsteady two dimensional subsonic flows using the ICE method. Ph.D. Thesis - Toledo Univ.

NASA Technical Reports Server (NTRS)

Wieber, P. R.

1973-01-01

A numerical program was developed to compute transient compressible and incompressible laminar flows in two dimensions with multicomponent mixing and chemical reaction. The algorithm used the Los Alamos Scientific Laboratory ICE (Implicit Continuous-Fluid Eulerian) method as its base. The program can compute both high and low speed compressible flows. The numerical program incorporating the stabilization techniques was quite successful in treating both old and new problems. Detailed calculations of coaxial flow very close to the entry plane were possible. The program treated complex flows such as the formation and downstream growth of a recirculation cell. An implicit solution of the species equation predicted mixing and reaction rates which compared favorably with the literature.

Multiphase flow calculation software

DOEpatents

Fincke, James R.

2003-04-15

Multiphase flow calculation software and computer-readable media carrying computer executable instructions for calculating liquid and gas phase mass flow rates of high void fraction multiphase flows. The multiphase flow calculation software employs various given, or experimentally determined, parameters in conjunction with a plurality of pressure differentials of a multiphase flow, preferably supplied by a differential pressure flowmeter or the like, to determine liquid and gas phase mass flow rates of the high void fraction multiphase flows. Embodiments of the multiphase flow calculation software are suitable for use in a variety of applications, including real-time management and control of an object system.

Hybrid upwind discretization of nonlinear two-phase flow with gravity

NASA Astrophysics Data System (ADS)

Lee, S. H.; Efendiev, Y.; Tchelepi, H. A.

2015-08-01

Multiphase flow in porous media is described by coupled nonlinear mass conservation laws. For immiscible Darcy flow of multiple fluid phases, whereby capillary effects are negligible, the transport equations in the presence of viscous and buoyancy forces are highly nonlinear and hyperbolic. Numerical simulation of multiphase flow processes in heterogeneous formations requires the development of discretization and solution schemes that are able to handle the complex nonlinear dynamics, especially of the saturation evolution, in a reliable and computationally efficient manner. In reservoir simulation practice, single-point upwinding of the flux across an interface between two control volumes (cells) is performed for each fluid phase, whereby the upstream direction is based on the gradient of the phase-potential (pressure plus gravity head). This upwinding scheme, which we refer to as Phase-Potential Upwinding (PPU), is combined with implicit (backward-Euler) time discretization to obtain a Fully Implicit Method (FIM). Even though FIM suffers from numerical dispersion effects, it is widely used in practice. This is because of its unconditional stability and because it yields conservative, monotone numerical solutions. However, FIM is not unconditionally convergent. The convergence difficulties are particularly pronounced when the different immiscible fluid phases switch between co-current and counter-current states as a function of time, or (Newton) iteration. Whether the multiphase flow across an interface (between two control-volumes) is co-current, or counter-current, depends on the local balance between the viscous and buoyancy forces, and how the balance evolves in time. The sensitivity of PPU to small changes in the (local) pressure distribution exacerbates the problem. The common strategy to deal with these difficulties is to cut the timestep and try again. Here, we propose a Hybrid-Upwinding (HU) scheme for the phase fluxes, then HU is combined with implicit time discretization to yield a fully implicit method. In the HU scheme, the phase flux is divided into two parts based on the driving force. The viscous-driven and buoyancy-driven phase fluxes are upwinded differently. Specifically, the viscous flux, which is always co-current, is upwinded based on the direction of the total-velocity. The buoyancy-driven flux across an interface is always counter-current and is upwinded such that the heavier fluid goes downward and the lighter fluid goes upward. We analyze the properties of the Implicit Hybrid Upwinding (IHU) scheme. It is shown that IHU is locally conservative and produces monotone, physically-consistent numerical solutions. The IHU solutions show numerical diffusion levels that are slightly higher than those for standard FIM (i.e., implicit PPU). The primary advantage of the IHU scheme is that the numerical overall-flux of a fluid phase remains continuous and differentiable as the flow regime changes between co-current and counter-current conditions. This is in contrast to the standard phase-potential upwinding scheme, in which the overall fractional-flow (flux) function is non-differentiable across the boundary between co-current and counter-current flows.

Analytical solutions for coagulation and condensation kinetics of composite particles

NASA Astrophysics Data System (ADS)

Piskunov, Vladimir N.

2013-04-01

The processes of composite particles formation consisting of a mixture of different materials are essential for many practical problems: for analysis of the consequences of accidental releases in atmosphere; for simulation of precipitation formation in clouds; for description of multi-phase processes in chemical reactors and industrial facilities. Computer codes developed for numerical simulation of these processes require optimization of computational methods and verification of numerical programs. Kinetic equations of composite particle formation are given in this work in a concise form (impurity integrated). Coagulation, condensation and external sources associated with nucleation are taken into account. Analytical solutions were obtained in a number of model cases. The general laws for fraction redistribution of impurities were defined. The results can be applied to develop numerical algorithms considerably reducing the simulation effort, as well as to verify the numerical programs for calculation of the formation kinetics of composite particles in the problems of practical importance.

Contribution of the Recent AUSM Schemes to the Overflow Code: Implementation and Validation

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Buning, Pieter G.

2000-01-01

We shall present results of a recent collaborative effort between the authors attempting to implement the numerical flux scheme, AUSM+ and its new developments, into a widely used NASA code, OVERFLOW. This paper is intended to give a thorough and systematic documentation about the solutions of default test cases using the AUSNI+ scheme. Hence we will address various aspects of numerical solutions, such as accuracy, convergence rate, and effects of turbulence models, over a variety of geometries, speed regimes. We will briefly describe the numerical schemes employed in the calculations, including the capability of solving for low-speed flows and multiphase flows by employing the concept of numerical speed of sound. As a bonus, this low Mach number formulations also enhances convergence to steady solutions for flows even at transonic speed. Calculations for complex 3D turbulent flows were performed with several turbulence models and the results display excellent agreements with measured data.

Recovery Act: An Integrated Experimental and Numerical Study: Developing a Reaction Transport Model that Couples Chemical Reactions of Mineral Dissolution/Precipitation with Spatial and Temporal Flow Variations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saar, Martin O.; Seyfried, Jr., William E.; Longmire, Ellen K.

2016-06-24

A total of 12 publications and 23 abstracts were produced as a result of this study. In particular, the compilation of a thermodynamic database utilizing consistent, current thermodynamic data is a major step toward accurately modeling multi-phase fluid interactions with solids. Existing databases designed for aqueous fluids did not mesh well with existing solid phase databases. Addition of a second liquid phase (CO2) magnifies the inconsistencies between aqueous and solid thermodynamic databases. Overall, the combination of high temperature and pressure lab studies (task 1), using a purpose built apparatus, and solid characterization (task 2), using XRCT and more developed technologies,more » allowed observation of dissolution and precipitation processes under CO2 reservoir conditions. These observations were combined with results from PIV experiments on multi-phase fluids (task 3) in typical flow path geometries. The results of the tasks 1, 2, and 3 were compiled and integrated into numerical models utilizing Lattice-Boltzmann simulations (task 4) to realistically model the physical processes and were ultimately folded into TOUGH2 code for reservoir scale modeling (task 5). Compilation of the thermodynamic database assisted comparisons to PIV experiments (Task 3) and greatly improved Lattice Boltzmann (Task 4) and TOUGH2 simulations (Task 5). PIV (Task 3) and experimental apparatus (Task 1) have identified problem areas in TOUGHREACT code. Additional lab experiments and coding work has been integrated into an improved numerical modeling code.« less

A numerical method for shock driven multiphase flow with evaporating particles

NASA Astrophysics Data System (ADS)

Dahal, Jeevan; McFarland, Jacob A.

2017-09-01

A numerical method for predicting the interaction of active, phase changing particles in a shock driven flow is presented in this paper. The Particle-in-Cell (PIC) technique was used to couple particles in a Lagrangian coordinate system with a fluid in an Eulerian coordinate system. The Piecewise Parabolic Method (PPM) hydrodynamics solver was used for solving the conservation equations and was modified with mass, momentum, and energy source terms from the particle phase. The method was implemented in the open source hydrodynamics software FLASH, developed at the University of Chicago. A simple validation of the methods is accomplished by comparing velocity and temperature histories from a single particle simulation with the analytical solution. Furthermore, simple single particle parcel simulations were run at two different sizes to study the effect of particle size on vorticity deposition in a shock-driven multiphase instability. Large particles were found to have lower enstrophy production at early times and higher enstrophy dissipation at late times due to the advection of the particle vorticity source term through the carrier gas. A 2D shock-driven instability of a circular perturbation is studied in simulations and compared to previous experimental data as further validation of the numerical methods. The effect of the particle size distribution and particle evaporation is examined further for this case. The results show that larger particles reduce the vorticity deposition, while particle evaporation increases it. It is also shown that for a distribution of particles sizes the vorticity deposition is decreased compared to single particle size case at the mean diameter.

Numerical investigation of optimal layout of rockbolts for ground structures

NASA Astrophysics Data System (ADS)

Kato, Junji; Ishi, Keiichiro; Terada, Kenjiro; Kyoya, Takashi

Due to difficulty to obtain reliable ground data, layout of rockbolts is determined entirely in a classical way assuming an isotropic rock stress condition. The present study assumes anisotropic stress condition and optimizes layout of rockbolts in order to maximize the stiffness of unstable ground of tunnels and slopes by applying multiphase layout optimization. It was verified that this method has a certain possibility to improve the stiffness of unstable ground.

An external-cavity quantum cascade laser operating near 5.2 µm combined with cavity ring-down spectroscopy for multi-component chemical sensing

NASA Astrophysics Data System (ADS)

Dutta Banik, Gourab; Maity, Abhijit; Som, Suman; Pal, Mithun; Pradhan, Manik

2018-04-01

We report on the performance of a widely tunable continuous wave mode-hop-free external-cavity quantum cascade laser operating at λ ~ 5.2 µm combined with cavity ring-down spectroscopy (CRDS) technique for high-resolution molecular spectroscopy. The CRDS system has been utilized for simultaneous and molecule-specific detection of several environmentally and bio-medically important trace molecular species such as nitric oxide, nitrous oxide, carbonyl sulphide and acetylene (C2H2) at ultra-low concentrations by probing numerous rotationally resolved ro-vibrational transitions in the mid-IR spectral region within a relatively small spectral range of ~0.035 cm-1. This continuous wave external-cavity quantum cascade laser-based multi-component CRDS sensor with high sensitivity and molecular specificity promises applications in environmental sensing as well as non-invasive medical diagnosis through human breath analysis.

Methane Hydrate Formation in Thick Sand Reservoirs: Long-range Gas Transport or Short-range Methane Diffusion?

NASA Astrophysics Data System (ADS)

You, K.; Flemings, P. B.

2016-12-01

We developed two 2-D numerical models to simulate hydrate formation by long range methane gas transport and short-range methane diffusion. We interpret that methane hydrates in thick sands are most likely formed by long range gas transport where methane gas is transported upward into the hydrate stability zone (HSZ) under buoyancy and locally forms hydrate to its stability limit. In short-range methane diffusion, methane is generated locally by biodegradation of organic matter in mud and diffused into bounding sands where it forms hydrate. We could not simulate enough methane transport by diffusion to account for its observed concentration in thick sands. In our models, we include the capillary effect on dissolved methane solubility and on the hydrate phase boundary, sedimentation and different compaction in sand and mud, fracture generation as well as the fully coupled multiphase flow and multicomponent transport. We apply our models to a 12 meter-thick hydrate-bearing sand layer at Walker Ridge 313, Northern Gulf of Mexico. With the long-range gas transport, hydrate saturation is greater than 90% and salinity is increased from seawater to about 8 wt.% through the entire sand. With short-range diffusion, hydrate saturation is more than 90% at the sand base and is less than 10% in the overlying section; salinity is close to seawater when sand is deposited to 800 meter below seafloor by short-range methane diffusion. With short-range diffusion, the amount of hydrate formed is much less than that interpreted from the well log data. Two transient gas layers separated by a hydrate layer are formed from short-range diffusion caused by capillary effect. This could be interpreted as a double bottom simulating reflector. This study provides further insights into different hydrate formation mechanisms, and could serve as a base to confirm the hydrate formation mechanism in fields.

Transport of Gas Phase Radionuclides in a Fractured, Low-Permeability Reservoir

NASA Astrophysics Data System (ADS)

Cooper, C. A.; Chapman, J.

2001-12-01

The U.S. Atomic Energy Commission (predecessor to the Department of Energy, DOE) oversaw a joint program between industry and government in the 1960s and 1970s to develop technology to enhance production from low-permeability gas reservoirs using nuclear stimulation rather than conventional means (e.g., hydraulic and/or acid fracturing). Project Rio Blanco, located in the Piceance Basin, Colorado, was the third experiment under the program. Three 30-kiloton nuclear explosives were placed in a 2134 m deep well at 1780, 1899, and 2039 m below the land surface and detonated in May 1973. Although the reservoir was extensively fractured, complications such as radionuclide contamination of the gas prevented production and subsequent development of the technology. Two-dimensional numerical simulations were conducted to identify the main transport processes that have occurred and are currently occurring in relation to the detonations, and to estimate the extent of contamination in the reservoir. Minor modifications were made to TOUGH2, the multiphase, multicomponent reservoir simulator developed at Lawrence Berkeley National Laboratories. The simulator allows the explicit incorporation of fractures, as well as heat transport, phase change, and first order radionuclide decay. For a fractured two-phase (liquid and gas) reservoir, the largest velocities are of gases through the fractures. In the gas phase, tritium and one isotope of krypton are the principle radionuclides of concern. However, in addition to existing as a fast pathway, fractures also permit matrix diffusion as a retardation mechanism. Another retardation mechanism is radionuclide decay. Simulations show that incorporation of fractures can significantly alter transport rates, and that radionuclides in the gas phase can preferentially migrate upward due to the downward gravity drainage of liquid water in the pores. This project was funded by the National Nuclear Security Administration, Nevada Operations Office, under DOE Contract no. DE-AC08-00NV13609.

Vector dark-antidark solitary waves in multicomponent Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Danaila, I.; Khamehchi, M. A.; Gokhroo, V.; Engels, P.; Kevrekidis, P. G.

2016-11-01

Multicomponent Bose-Einstein condensates exhibit an intriguing variety of nonlinear structures. In recent theoretical work [C. Qu, L. P. Pitaevskii, and S. Stringari, Phys. Rev. Lett. 116, 160402 (2016), 10.1103/PhysRevLett.116.160402], the notion of magnetic solitons has been introduced. Here we examine a variant of this concept in the form of vector dark-antidark solitary waves in multicomponent Bose-Einstein condensates (BECs). We first provide concrete experimental evidence for such states in an atomic BEC and subsequently illustrate the broader concept of these states, which are based on the interplay between miscibility and intercomponent repulsion. Armed with this more general conceptual framework, we expand the notion of such states to higher dimensions presenting the possibility of both vortex-antidark states and ring-antidark-ring (dark soliton) states. We perform numerical continuation studies, investigate the existence of these states, and examine their stability using the method of Bogoliubov-de Gennes analysis. Dark-antidark and vortex-antidark states are found to be stable for broad parametric regimes. In the case of ring dark solitons, where the single-component ring state is known to be unstable, the vector entity appears to bear a progressively more and more stabilizing role as the intercomponent coupling is increased.

Modelling coupled microbial processes in the subsurface: Model development, verification, evaluation and application

NASA Astrophysics Data System (ADS)

Masum, Shakil A.; Thomas, Hywel R.

2018-06-01

To study subsurface microbial processes, a coupled model which has been developed within a Thermal-Hydraulic-Chemical-Mechanical (THCM) framework is presented. The work presented here, focuses on microbial transport, growth and decay mechanisms under the influence of multiphase flow and bio-geochemical reactions. In this paper, theoretical formulations and numerical implementations of the microbial model are presented. The model has been verified and also evaluated against relevant experimental results. Simulated results show that the microbial processes have been accurately implemented and their impacts on porous media properties can be predicted either qualitatively or quantitatively or both. The model has been applied to investigate biofilm growth in a sandstone core that is subjected to a two-phase flow and variable pH conditions. The results indicate that biofilm growth (if not limited by substrates) in a multiphase system largely depends on the hydraulic properties of the medium. When the change in porewater pH which occurred due to dissolution of carbon dioxide gas is considered, growth processes are affected. For the given parameter regime, it has been shown that the net biofilm growth is favoured by higher pH; whilst the processes are considerably retarded at lower pH values. The capabilities of the model to predict microbial respiration in a fully coupled multiphase flow condition and microbial fermentation leading to production of a gas phase are also demonstrated.

Landslides and tsunamis predicted by incompressible smoothed particle hydrodynamics (SPH) with application to the 1958 Lituya Bay event and idealized experiment.

PubMed

Xenakis, A M; Lind, S J; Stansby, P K; Rogers, B D

2017-03-01

Tsunamis caused by landslides may result in significant destruction of the surroundings with both societal and industrial impact. The 1958 Lituya Bay landslide and tsunami is a recent and well-documented terrestrial landslide generating a tsunami with a run-up of 524 m. Although recent computational techniques have shown good performance in the estimation of the run-up height, they fail to capture all the physical processes, in particular, the landslide-entry profile and interaction with the water. Smoothed particle hydrodynamics (SPH) is a versatile numerical technique for describing free-surface and multi-phase flows, particularly those that exhibit highly nonlinear deformation in landslide-generated tsunamis. In the current work, the novel multi-phase incompressible SPH method with shifting is applied to the Lituya Bay tsunami and landslide and is the first methodology able to reproduce realistically both the run-up and landslide-entry as documented in a benchmark experiment. The method is the first paper to develop a realistic implementation of the physics that in addition to the non-Newtonian rheology of the landslide includes turbulence in the water phase and soil saturation. Sensitivity to the experimental initial conditions is also considered. This work demonstrates the ability of the proposed method in modelling challenging environmental multi-phase, non-Newtonian and turbulent flows.

Landslides and tsunamis predicted by incompressible smoothed particle hydrodynamics (SPH) with application to the 1958 Lituya Bay event and idealized experiment

PubMed Central

Lind, S. J.; Stansby, P. K.; Rogers, B. D.

2017-01-01

Tsunamis caused by landslides may result in significant destruction of the surroundings with both societal and industrial impact. The 1958 Lituya Bay landslide and tsunami is a recent and well-documented terrestrial landslide generating a tsunami with a run-up of 524 m. Although recent computational techniques have shown good performance in the estimation of the run-up height, they fail to capture all the physical processes, in particular, the landslide-entry profile and interaction with the water. Smoothed particle hydrodynamics (SPH) is a versatile numerical technique for describing free-surface and multi-phase flows, particularly those that exhibit highly nonlinear deformation in landslide-generated tsunamis. In the current work, the novel multi-phase incompressible SPH method with shifting is applied to the Lituya Bay tsunami and landslide and is the first methodology able to reproduce realistically both the run-up and landslide-entry as documented in a benchmark experiment. The method is the first paper to develop a realistic implementation of the physics that in addition to the non-Newtonian rheology of the landslide includes turbulence in the water phase and soil saturation. Sensitivity to the experimental initial conditions is also considered. This work demonstrates the ability of the proposed method in modelling challenging environmental multi-phase, non-Newtonian and turbulent flows. PMID:28413334

A 3D Hydrodynamic Model for Cytokinesis of Eukaryotic Cells

DTIC Science & Technology

2014-08-01

goes wrong may lead to a catastrophe or failure, which may lead to an unwelcome outcome for instance cancer . Thus, a detailed understanding on... biofilm - drug interaction. Discrete and Continuous Dynamical Systems Series B, 15:417–456, March 2011. 13 [17] Brandon Lindley, Qi Wang, and Tianyu Zhang...Multicomponent hydrodynamic model for heterogeneous biofilms : Two-dimensional numerical simulations of growth and in- teraction with flows. Physical

Implicit finite difference methods on composite grids

NASA Technical Reports Server (NTRS)

Mastin, C. Wayne

1987-01-01

Techniques for eliminating time lags in the implicit finite-difference solution of partial differential equations are investigated analytically, with a focus on transient fluid dynamics problems on overlapping multicomponent grids. The fundamental principles of the approach are explained, and the method is shown to be applicable to both rectangular and curvilinear grids. Numerical results for sample problems are compared with exact solutions in graphs, and good agreement is demonstrated.

Effect of particle shape and slip mechanism on buoyancy induced convective heat transport with nanofluids

NASA Astrophysics Data System (ADS)

Joshi, Pranit Satish; Mahapatra, Pallab Sinha; Pattamatta, Arvind

2017-12-01

Experiments and numerical simulation of natural convection heat transfer with nanosuspensions are presented in this work. The investigations are carried out for three different types of nanosuspensions: namely, spherical-based (alumina/water), tubular-based (multi-walled carbon nanotube/water), and flake-based (graphene/water). A comparison with in-house experiments is made for all the three nanosuspensions at different volume fractions and for the Rayleigh numbers in the range of 7 × 105-1 × 107. Different models such as single component homogeneous, single component non-homogeneous, and multicomponent non-homogeneous are used in the present study. From the present numerical investigation, it is observed that for lower volume fractions (˜0.1%) of nanosuspensions considered, single component models are in close agreement with the experimental results. Single component models which are based on the effective properties of the nanosuspensions alone can predict heat transfer characteristics very well within the experimental uncertainty. Whereas for higher volume fractions (˜0.5%), the multi-component model predicts closer results to the experimental observation as it incorporates drag-based slip force which becomes prominent. The enhancement observed at lower volume fractions for non-spherical particles is attributed to the percolation chain formation, which perturbs the boundary layer and thereby increases the local Nusselt number values.

Ion-acoustic and electron-acoustic type nonlinear waves in dusty plasmas

NASA Astrophysics Data System (ADS)

Volosevich, A.-V.; Meister, C.-V.

2003-04-01

In the present work, two three-dimensional nonlinear theoretical models of electrostatic solitary waves are investigated within the frame of magnetohydrodynamics. Both times, a multi-component plasma is considered, which consists of hot electrons with a rather flexible distribution function, hot ions with Boltzmann-type distribution, and (negatively as well as positively charged) dust. Additionally, cold ion beams are taken into account in the model to study ion-acoustic structures (IAS), and cold electron beams are included into the model to investigate electron-acoustic structures (EAS). The numerical results of the considered theoretical models allow to make the following conclusions: 1) Electrostatic structures with negative potential (of rarefaction type) are formed both in the IAS model and in the EAS model, but structures with negative potential (of compressional type) are formed in the IAS model only. 2) The intervals of various plasma parameters (velocities of ion and electron beams, temperatures, densities of the plasma components, ions' masses), for which the existence of IAS and EAS solitary waves and structures is possible, are calculated. 3) Further, the parameters of the electrostatic structures (wave amplitudes, scales along and perpendicular to the magnetic field, velocities) are estimated. 4) The application of the present numerical simulation for multi-component plasmas to various astrophysical systems under different physical conditions is discussed.

Mass Transfer Limited Enhanced Bioremediation at Dnapl Source Zones: a Numerical Study

NASA Astrophysics Data System (ADS)

Kokkinaki, A.; Sleep, B. E.

2011-12-01

The success of enhanced bioremediation of dense non-aqueous phase liquids (DNAPLs) relies on accelerating contaminant mass transfer from the organic to the aqueous phase, thus enhancing the depletion of DNAPL source zones compared to natural dissolution. This is achieved by promoting biological activity that reduces the contaminant's aqueous phase concentration. Although laboratory studies have demonstrated that high reaction rates are attainable by specialized microbial cultures in DNAPL source zones, field applications of the technology report lower reaction rates and prolonged remediation times. One possible explanation for this phenomenon is that the reaction rates are limited by the rate at which the contaminant partitions from the DNAPL to the aqueous phase. In such cases, slow mass transfer to the aqueous phase reduces the bioavailability of the contaminant and consequently decreases the potential source zone depletion enhancement. In this work, the effect of rate limited mass transfer on bio-enhanced dissolution of DNAPL chlorinated ethenes is investigated through a numerical study. A multi-phase, multi-component groundwater transport model is employed to simulate DNAPL mass depletion for a range of source zone scenarios. Rate limited mass transfer is modeled by a linear driving force model, employing a thermodynamic approach for the calculation of the DNAPL - water interfacial area. Metabolic reductive dechlorination is modeled by Monod kinetics, considering microbial growth and self-inhibition. The model was utilized to identify conditions in which mass transfer, rather than reaction, is the limiting process, as indicated by the bioavailability number. In such cases, reaction is slower than expected, and further increase in the reaction rate does not enhance mass depletion. Mass transfer rate limitations were shown to affect both dechlorination and microbial growth kinetics. The complex dynamics between mass transfer, DNAPL transport and distribution, and dechlorination kinetics were reflected in a transient, spatially heterogeneous bioavailability number and dissolution enhancement. In agreement with the literature, source zone architecture largely determined the impact of mass transfer on potential dissolution enhancement, with bioavailability decreasing the most at high ganglia to pool ratios. The results of this study suggest that if mass transfer rate limitations are not considered in designing bioremediation applications at DNAPL source zones, the enhancement of DNAPL depletion and the overall effectiveness of enhanced bioremediation may be significantly overestimated.

Numerical model for the evaluation of Earthquake effects on a magmatic system.

NASA Astrophysics Data System (ADS)

Garg, Deepak; Longo, Antonella; Papale, Paolo

2016-04-01

A finite element numerical model is presented to compute the effect of an Earthquake on the dynamics of magma in reservoirs with deformable walls. The magmatic system is hit by a Mw 7.2 Earthquake (Petrolia/Capo Mendocina 1992) with hypocenter at 15 km diagonal distance. At subsequent times the seismic wave reaches the nearest side of the magmatic system boundary, travels through the magmatic fluid and arrives to the other side of the boundary. The modelled physical system consists in the magmatic reservoir with a thin surrounding layer of rocks. Magma is considered as an homogeneous multicomponent multiphase Newtonian mixture with exsolution and dissolution of volatiles (H2O+CO2). The magmatic reservoir is made of a small shallow magma chamber filled with degassed phonolite, connected by a vertical dike to a larger deeper chamber filled with gas-rich shoshonite, in condition of gravitational instability. The coupling between the Earthquake and the magmatic system is computed by solving the elastostatic equation for the deformation of the magmatic reservoir walls, along with the conservation equations of mass of components and momentum of the magmatic mixture. The characteristic elastic parameters of rocks are assigned to the computational domain at the boundary of magmatic system. Physically consistent Dirichlet and Neumann boundary conditions are assigned according to the evolution of the seismic signal. Seismic forced displacements and velocities are set on the part of the boundary which is hit by wave. On the other part of boundary motion is governed by the action of fluid pressure and deviatoric stress forces due to fluid dynamics. The constitutive equations for the magma are solved in a monolithic way by space-time discontinuous-in-time finite element method. To attain additional stability least square and discontinuity capturing operators are included in the formulation. A partitioned algorithm is used to couple the magma and thin layer of rocks. The magmatic system is highly disturbed during the maximum amplitude of the seismic wave, showing random to oscillatory velocity and pressure, after which it follows the natural dynamic state of gravitational destabilization. The seismic disturbance remarkably triggers propagation of pressure waves at magma sound speed, reflecting from bottom to top, left and right of the magmatic system. A signal analysis of the frequency energy content is reported.

Etude numérique et expérimentale de l'evaporation d'une ou plusieurs gouttes de mélange de carburants dans un écoulement chauffé

NASA Astrophysics Data System (ADS)

Daïf, A.; Ali Chérif, A.; Bresson, J.; Sarh, B.

1995-10-01

The vaporization of one or two multi-component fuel droplets in hot air-stream is presented. A thermal wind tunnel with experimental channel has been designed to develop an experimental process. Firstly, the comparison between experimental results and numerical data is presented for the case of an isolated multi-component droplet. The numerical method is based on the resolution of heat and mass transfer equations between the droplet and the gas stream. This model includes the effect of Stephan flow, the effect of variable thermophysical properties of the components, and the non-unitary Lewis number in the gas film. The experimental results show the micro-explosion phenomenon observed in the liquid phase of multi-component droplet at low temperature. The experimental case of two pure or multi-component droplets in interaction is also presented. On présente un article de synthèse sur l'évaporation d'une ou deux gouttes de carburants à plusieurs composants dans un écoulement d'air chaud. Un dispositif expérimental constitué d'une soufflerie thermique, avec veine d'expérimentation, est réalisé pour permettre cette étude. Pour le cas d'une goutte isolée, une comparaison expérience-calcul est entreprise. Le principe de la méthode numerique consiste en la résolution des équations de transfert de masse et de chaleur entre la goutte et l'écoulement. Ce modèle prend en compte les effets de l'écoulement de Stephan, les variations des propriétés thermophysiques des composants dans les deux phases et la valeur du nombre de Lewis différente de l'unité dans le film de vapeur. Outre l'analyse plus approfondie qu'apporte la confrontation entre le calcul et l'expérience, les résultats expérimentaux montrent le phénomène de micro-explosion observé à l'intérieur de la goutte liquide. Le cas expérimental de deux gouttes en interaction est abordé qu'il s'agisse de gouttes de carburant pur ou de mélange.

Non-equilibrium processes in ash-laden volcanic plumes: new insights from 3D multiphase flow simulations

NASA Astrophysics Data System (ADS)

Esposti Ongaro, Tomaso; Cerminara, Matteo

2016-10-01

In the framework of the IAVCEI (International Association of Volcanology and Chemistry of the Earth Interior) initiative on volcanic plume models intercomparison, we discuss three-dimensional numerical simulations performed with the multiphase flow model PDAC (Pyroclastic Dispersal Analysis Code). The model describes the dynamics of volcanic and atmospheric gases (in absence of wind) and two pyroclastic phases by adopting a non-equilibrium Eulerian-Eulerian formulation. Accordingly, gas and particulate phases are treated as interpenetrating fluids, interacting with each other through momentum (drag) and heat exchange. Numerical results describe the time-wise and spatial evolution of weak (mass eruption rate: 1.5 × 106 kg/s) and strong (mass eruption rate: 1.5 × 109 kg/s) plumes. The two tested cases display a remarkably different phenomenology, associated with the different roles of atmospheric stratification, compressibility and mechanism of buoyancy reversal, reflecting in a different structure of the plume, of the turbulent eddies and of the atmospheric circulation. This also brings about different rates of turbulent mixing and atmospheric air entrainment. The adopted multiphase flow model allows to quantify temperature and velocity differences between the gas and particles, including settling, preferential concentration by turbulence and thermal non-equilibrium, as a function of their Stokes number, i.e., the ratio between their kinetic equilibrium time and the characteristic large-eddy turnover time of the turbulent plume. As a result, the spatial and temporal distribution of coarse ash in the atmosphere significantly differs from that of the fine ash, leading to a modification of the plume shape. Finally, three-dimensional numerical results have been averaged in time and across horizontal slices in order to obtain a one-dimensional picture of the plume in a stationary regime. For the weak plume, the results are consistent with one-dimensional models, at least in the buoyant plume region, and allow to reckon a variable, effective entrainment coefficient with a mean value around 0.1 (consistently with laboratory experiments). For the strong plume, analysis of the results reveals that the two most critical assumptions of one-dimensional integral models are the self-similarity and the pressure equilibrium. In such a case, the plume appears to be controlled by the dynamics in the jet stage (below the buoyancy reversal) and by mesoscale vorticity associated with the development of the umbrella.

NETL Crosscutting Research Video Series: Multiphase Flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tingwen; Vaidheeswaran, Avinash

For over 30 years, NETL’s work in multiphase flow science has served as one of the cornerstones of the lab’s research portfolio. Multiphase flow refers to the simultaneous flow of gases, liquids and/or solid materials. The goal of the multiphase flow science team is to provide computational modeling tools to help offset the risk and cost of multiphase reactor development.

The Voronoi Implicit Interface Method for computing multiphase physics

PubMed Central

Saye, Robert I.; Sethian, James A.

2011-01-01

We introduce a numerical framework, the Voronoi Implicit Interface Method for tracking multiple interacting and evolving regions (phases) whose motion is determined by complex physics (fluids, mechanics, elasticity, etc.), intricate jump conditions, internal constraints, and boundary conditions. The method works in two and three dimensions, handles tens of thousands of interfaces and separate phases, and easily and automatically handles multiple junctions, triple points, and quadruple points in two dimensions, as well as triple lines, etc., in higher dimensions. Topological changes occur naturally, with no surgery required. The method is first-order accurate at junction points/lines, and of arbitrarily high-order accuracy away from such degeneracies. The method uses a single function to describe all phases simultaneously, represented on a fixed Eulerian mesh. We test the method’s accuracy through convergence tests, and demonstrate its applications to geometric flows, accurate prediction of von Neumann’s law for multiphase curvature flow, and robustness under complex fluid flow with surface tension and large shearing forces. PMID:22106269

The Voronoi Implicit Interface Method for computing multiphase physics.

PubMed

Saye, Robert I; Sethian, James A

2011-12-06

We introduce a numerical framework, the Voronoi Implicit Interface Method for tracking multiple interacting and evolving regions (phases) whose motion is determined by complex physics (fluids, mechanics, elasticity, etc.), intricate jump conditions, internal constraints, and boundary conditions. The method works in two and three dimensions, handles tens of thousands of interfaces and separate phases, and easily and automatically handles multiple junctions, triple points, and quadruple points in two dimensions, as well as triple lines, etc., in higher dimensions. Topological changes occur naturally, with no surgery required. The method is first-order accurate at junction points/lines, and of arbitrarily high-order accuracy away from such degeneracies. The method uses a single function to describe all phases simultaneously, represented on a fixed Eulerian mesh. We test the method's accuracy through convergence tests, and demonstrate its applications to geometric flows, accurate prediction of von Neumann's law for multiphase curvature flow, and robustness under complex fluid flow with surface tension and large shearing forces.

Lagrangian particle method for compressible fluid dynamics

NASA Astrophysics Data System (ADS)

Samulyak, Roman; Wang, Xingyu; Chen, Hsin-Chiang

2018-06-01

A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is suitable for the simulation of complex free surface/multiphase flows. The main contributions of our method, which is different from SPH in all other aspects, are (a) significant improvement of approximation of differential operators based on a polynomial fit via weighted least squares approximation and the convergence of prescribed order, (b) a second-order particle-based algorithm that reduces to the first-order upwind method at local extremal points, providing accuracy and long term stability, and (c) more accurate resolution of entropy discontinuities and states at free interfaces. While the method is consistent and convergent to a prescribed order, the conservation of momentum and energy is not exact and depends on the convergence order. The method is generalizable to coupled hyperbolic-elliptic systems. Numerical verification tests demonstrating the convergence order are presented as well as examples of complex multiphase flows.

The Voronoi Implicit Interface Method for computing multiphase physics

DOE PAGES

Saye, Robert I.; Sethian, James A.

2011-11-21

In this paper, we introduce a numerical framework, the Voronoi Implicit Interface Method for tracking multiple interacting and evolving regions (phases) whose motion is determined by complex physics (fluids, mechanics, elasticity, etc.), intricate jump conditions, internal constraints, and boundary conditions. The method works in two and three dimensions, handles tens of thousands of interfaces and separate phases, and easily and automatically handles multiple junctions, triple points, and quadruple points in two dimensions, as well as triple lines, etc., in higher dimensions. Topological changes occur naturally, with no surgery required. The method is first-order accurate at junction points/lines, and of arbitrarilymore » high-order accuracy away from such degeneracies. The method uses a single function to describe all phases simultaneously, represented on a fixed Eulerian mesh. Finally, we test the method’s accuracy through convergence tests, and demonstrate its applications to geometric flows, accurate prediction of von Neumann’s law for multiphase curvature flow, and robustness under complex fluid flow with surface tension and large shearing forces.« less

Simultaneous travel time tomography for updating both velocity and reflector geometry in triangular/tetrahedral cell model

NASA Astrophysics Data System (ADS)

Bai, Chao-ying; He, Lei-yu; Li, Xing-wang; Sun, Jia-yu

2018-05-01

To conduct forward and simultaneous inversion in a complex geological model, including an irregular topography (or irregular reflector or velocity anomaly), we in this paper combined our previous multiphase arrival tracking method (referred as triangular shortest-path method, TSPM) in triangular (2D) or tetrahedral (3D) cell model and a linearized inversion solver (referred to as damped minimum norms and constrained least squares problem solved using the conjugate gradient method, DMNCLS-CG) to formulate a simultaneous travel time inversion method for updating both velocity and reflector geometry by using multiphase arrival times. In the triangular/tetrahedral cells, we deduced the partial derivative of velocity variation with respective to the depth change of reflector. The numerical simulation results show that the computational accuracy can be tuned to a high precision in forward modeling and the irregular velocity anomaly and reflector geometry can be accurately captured in the simultaneous inversion, because the triangular/tetrahedral cell can be easily used to stitch the irregular topography or subsurface interface.

A locally conservative stabilized continuous Galerkin finite element method for two-phase flow in poroelastic subsurfaces

NASA Astrophysics Data System (ADS)

Deng, Q.; Ginting, V.; McCaskill, B.; Torsu, P.

2017-10-01

We study the application of a stabilized continuous Galerkin finite element method (CGFEM) in the simulation of multiphase flow in poroelastic subsurfaces. The system involves a nonlinear coupling between the fluid pressure, subsurface's deformation, and the fluid phase saturation, and as such, we represent this coupling through an iterative procedure. Spatial discretization of the poroelastic system employs the standard linear finite element in combination with a numerical diffusion term to maintain stability of the algebraic system. Furthermore, direct calculation of the normal velocities from pressure and deformation does not entail a locally conservative field. To alleviate this drawback, we propose an element based post-processing technique through which local conservation can be established. The performance of the method is validated through several examples illustrating the convergence of the method, the effectivity of the stabilization term, and the ability to achieve locally conservative normal velocities. Finally, the efficacy of the method is demonstrated through simulations of realistic multiphase flow in poroelastic subsurfaces.

Simultaneous travel time tomography for updating both velocity and reflector geometry in triangular/tetrahedral cell model

NASA Astrophysics Data System (ADS)

Bai, Chao-ying; He, Lei-yu; Li, Xing-wang; Sun, Jia-yu

2017-12-01

To conduct forward and simultaneous inversion in a complex geological model, including an irregular topography (or irregular reflector or velocity anomaly), we in this paper combined our previous multiphase arrival tracking method (referred as triangular shortest-path method, TSPM) in triangular (2D) or tetrahedral (3D) cell model and a linearized inversion solver (referred to as damped minimum norms and constrained least squares problem solved using the conjugate gradient method, DMNCLS-CG) to formulate a simultaneous travel time inversion method for updating both velocity and reflector geometry by using multiphase arrival times. In the triangular/tetrahedral cells, we deduced the partial derivative of velocity variation with respective to the depth change of reflector. The numerical simulation results show that the computational accuracy can be tuned to a high precision in forward modeling and the irregular velocity anomaly and reflector geometry can be accurately captured in the simultaneous inversion, because the triangular/tetrahedral cell can be easily used to stitch the irregular topography or subsurface interface.

FY16 NRL DoD High Performance Computing Modernization Program

DTIC Science & Technology

2017-09-15

explored both wind and wave forcing in the numerical wave tank. The model uses high spatial and temporal resolution and a multi-phase formulation to...Results: The ADVED_NS code was used to predict the effect of the standoff distance between micron- diameter wires and flow frequency on the total...contours for a flow over 3D wire mesh. Figure 2 shows verifications comparing computed and theoretical drag forces for the flow over two cylinders in an

Support for ACS COLL Division Symposium on: Patchy Particles and Surfaces of Engineered Heterogeneity: Synthesis to Dynamic Function

DTIC Science & Technology

2010-04-14

assembly of new materials with magnetic, optical , and photonic properties, self-replicating colloidal structures, and sensors. (a) Papers published in...Nanostructures: New Properties Driving New Synthetic Opportunities” This talk explored optical properties of assemblies of structured colloids. - I...including  experts on  optical  and photonic materials, numerical simulation, multiphase fluid flows, biomaterials,  bacteriology, tribology

Study of a Multi-Phase Hybrid Heat Exchanger-Reactor (HEX Reactor): Part 2 - Numerical Prediction of Thermal Performance (Postprint)

DTIC Science & Technology

2014-01-01

PERSON (Monitor) a. REPORT Unclassified b . ABSTRACT Unclassified c. THIS PAGE Unclassified Travis E. Michalak 19b. TELEPHONE NUMBER (Include...distribution unlimited.Nicholas Niedbalski a, b ,⇑, Douglas Johnson c, Soumya S. Patnaik a, Debjyoti Banerjee b aAir Force Research Laboratory, Aerospace...Systems Directorate, Power and Controls Division, Mechanical and Thermal Systems Branch, 1950 5th St., Wright-Patterson AFB, OH 45433, United States b Texas

Computational Fluid Dynamics Modeling of Nickel Hydrogen Batteries

NASA Technical Reports Server (NTRS)

Cullion, R.; Gu, W. B.; Wang, C. Y.; Timmerman, P.

2000-01-01

An electrochemical Ni-H2 battery model has been expanded to include thermal effects. A thermal energy conservation equation was derived from first principles. An electrochemical and thermal coupled model was created by the addition of this equation to an existing multiphase, electrochemical model. Charging at various rates was investigated and the results validated against experimental data. Reaction currents, pressure changes, temperature profiles, and concentration variations within the cell are predicted numerically and compared with available data and theory.

A fully-coupled discontinuous Galerkin spectral element method for two-phase flow in petroleum reservoirs

NASA Astrophysics Data System (ADS)

Taneja, Ankur; Higdon, Jonathan

2018-01-01

A high-order spectral element discontinuous Galerkin method is presented for simulating immiscible two-phase flow in petroleum reservoirs. The governing equations involve a coupled system of strongly nonlinear partial differential equations for the pressure and fluid saturation in the reservoir. A fully implicit method is used with a high-order accurate time integration using an implicit Rosenbrock method. Numerical tests give the first demonstration of high order hp spatial convergence results for multiphase flow in petroleum reservoirs with industry standard relative permeability models. High order convergence is shown formally for spectral elements with up to 8th order polynomials for both homogeneous and heterogeneous permeability fields. Numerical results are presented for multiphase fluid flow in heterogeneous reservoirs with complex geometric or geologic features using up to 11th order polynomials. Robust, stable simulations are presented for heterogeneous geologic features, including globally heterogeneous permeability fields, anisotropic permeability tensors, broad regions of low-permeability, high-permeability channels, thin shale barriers and thin high-permeability fractures. A major result of this paper is the demonstration that the resolution of the high order spectral element method may be exploited to achieve accurate results utilizing a simple cartesian mesh for non-conforming geological features. Eliminating the need to mesh to the boundaries of geological features greatly simplifies the workflow for petroleum engineers testing multiple scenarios in the face of uncertainty in the subsurface geology.

Two problems in multiphase biological flows: Blood flow and particulate transport in microvascular network, and pseudopod-driven motility of amoeboid cells

NASA Astrophysics Data System (ADS)

Bagchi, Prosenjit

2016-11-01

In this talk, two problems in multiphase biological flows will be discussed. The first is the direct numerical simulation of whole blood and drug particulates in microvascular networks. Blood in microcirculation behaves as a dense suspension of heterogeneous cells. The erythrocytes are extremely deformable, while inactivated platelets and leukocytes are nearly rigid. A significant progress has been made in recent years in modeling blood as a dense cellular suspension. However, many of these studies considered the blood flow in simple geometry, e.g., straight tubes of uniform cross-section. In contrast, the architecture of a microvascular network is very complex with bifurcating, merging and winding vessels, posing a further challenge to numerical modeling. We have developed an immersed-boundary-based method that can consider blood cell flow in physiologically realistic and complex microvascular network. In addition to addressing many physiological issues related to network hemodynamics, this tool can be used to optimize the transport properties of drug particulates for effective organ-specific delivery. Our second problem is pseudopod-driven motility as often observed in metastatic cancer cells and other amoeboid cells. We have developed a multiscale hydrodynamic model to simulate such motility. We study the effect of cell stiffness on motility as the former has been considered as a biomarker for metastatic potential. Funded by the National Science Foundation.

NETL Crosscutting Research Video Series: Multiphase Flow (Short Version)

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

For over 30 years, NETL’s work in multiphase flow science has served as one of the cornerstones of the lab’s research portfolio. Multiphase flow refers to the simultaneous flow of gases, liquids and/or solid materials. The goal of the multiphase flow science team is to provide computational modeling tools to help offset the risk and cost of multiphase reactor development.

Numerical analysis of the air chemical non-equilibrium effect in combustion for a semi-sphere with opposing jet

NASA Astrophysics Data System (ADS)

Zhao, Fa-Ming; Wang, Jiang-Feng; Li, Long-Fei

2018-05-01

The air chemical non-equilibrium effect (ACNEE) on hydrogen-air combustion flow fields at Mach number of 10 is numerically analyzed for a semi-sphere with a sonic opposing-hydrogen jet. The 2D axisymmetric multi-components N-S equations are solved by using the central scheme with artificial dissipation and the S-A turbulence model. Numerical results show that as compared to the result without ACNEE, the ACNEE has little influence on the structure of flow field, but has a considerable impact on fluid characteristics which reduces the maximum value of mass fraction of water in the flow field and increases the maximum value of mass fraction of water on solid surface, as well as the maximum surface temperature.

Mineralogical Controls over Carbon Storage and Residence Times in Grassland Soils

NASA Astrophysics Data System (ADS)

Dwivedi, D.; Riley, W. J.; Torn, M. S.; Spycher, N.

2014-12-01

Globally, soil organic matter (SOM) contains approximately three times more carbon than the atmosphere and terrestrial vegetation contain combined. However, it is not well understood why some SOM persists for a long time while other SOM decomposes quickly. For future climate predictions, representing soil organic matter (SOM) dynamics accurately in Earth system models is essential. Soil minerals stabilize organic carbon in soil; however, there are gaps in our understanding of how soil mineralogy controls the quantity and turnover of long-residence-time organic carbon. To investigate the impact of soil mineralogy on SOM dynamics, we used a new model (Biotic and Abiotic Model of SOM—BAMS1 [Riley et al., 2014]) integrated with a three-dimensional, multiphase reactive transport solver (TOUGHREACT). The model represents bacterial and fungal activity, archetypal polymer and monomer carbon substrate groups, aqueous chemistry, gaseous diffusion, aqueous advection and diffusion, and adsorption and desorption processes. BAMS1 can predict bulk SOM and radiocarbon signatures without resorting to an arbitrary depth-dependent decline in SOM turnover rates. Results show a reasonable match between observed and simulated depth-resolved SOM and Δ14C in grassland ecosystems (soils formed on terraces south of Eureka, California, and the Central Chernozem Region of Russia) and were consistent with expectations of depth-resolved profiles of lignin content and fungi:aerobic bacteria ratios. Results also suggest that clay-mineral surface area and soil sorption coefficients constitute dominant controls over organic carbon stocks and residence times, respectively. Bibliography: Riley, W.J., F.M. Maggi, M. Kleber, M.S. Torn, J.Y. Tang, D. Dwivedi, and N. Guerry (2014), Long residence times of rapidly decomposable soil organic matter: application of a multi-phase, multi-component, and vertically resolved model (BAMS1) to soil carbon dynamics, Geoscientific Model Development, vol. 7, 1335-2014, doi:10.5194/gmd-7-1335-2014.

Computational methods for reactive transport modeling: An extended law of mass-action, xLMA, method for multiphase equilibrium calculations

NASA Astrophysics Data System (ADS)

Leal, Allan M. M.; Kulik, Dmitrii A.; Kosakowski, Georg; Saar, Martin O.

2016-10-01

We present an extended law of mass-action (xLMA) method for multiphase equilibrium calculations and apply it in the context of reactive transport modeling. This extended LMA formulation differs from its conventional counterpart in that (i) it is directly derived from the Gibbs energy minimization (GEM) problem (i.e., the fundamental problem that describes the state of equilibrium of a chemical system under constant temperature and pressure); and (ii) it extends the conventional mass-action equations with Lagrange multipliers from the Gibbs energy minimization problem, which can be interpreted as stability indices of the chemical species. Accounting for these multipliers enables the method to determine all stable phases without presuming their types (e.g., aqueous, gaseous) or their presence in the equilibrium state. Therefore, the here proposed xLMA method inherits traits of Gibbs energy minimization algorithms that allow it to naturally detect the phases present in equilibrium, which can be single-component phases (e.g., pure solids or liquids) or non-ideal multi-component phases (e.g., aqueous, melts, gaseous, solid solutions, adsorption, or ion exchange). Moreover, our xLMA method requires no technique that tentatively adds or removes reactions based on phase stability indices (e.g., saturation indices for minerals), since the extended mass-action equations are valid even when their corresponding reactions involve unstable species. We successfully apply the proposed method to a reactive transport modeling problem in which we use PHREEQC and GEMS as alternative backends for the calculation of thermodynamic properties such as equilibrium constants of reactions, standard chemical potentials of species, and activity coefficients. Our tests show that our algorithm is efficient and robust for demanding applications, such as reactive transport modeling, where it converges within 1-3 iterations in most cases. The proposed xLMA method is implemented in Reaktoro, a unified open-source framework for modeling chemically reactive systems.

PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan

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 permore » 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.« less

Gas-liquid Phase Distribution and Void Fraction Measurements Using the MRI

NASA Technical Reports Server (NTRS)

Daidzic, N. E.; Schmidt, E.; Hasan, M. M.; Altobelli, S.

2004-01-01

We used a permanent-magnet MRI system to estimate the integral and spatially- and/or temporally-resolved void-fraction distributions and flow patterns in gas-liquid two-phase flows. Air was introduced at the bottom of the stagnant liquid column using an accurate and programmable syringe pump. Air flow rates were varied between 1 and 200 ml/min. The cylindrical non-conducting test tube in which two-phase flow was measured was placed in a 2.67 kGauss MRI with MRT spectrometer/imager. Roughly linear relationship has been obtained for the integral void-fraction, obtained by volume-averaging of the spatially-resolved signals, and the air flow rate in upward direction. The time-averaged spatially-resolved void fraction has also been obtained for the quasi-steady flow of air in a stagnant liquid column. No great accuracy is claimed as this was an exploratory proof-of-concept type of experiment. Preliminary results show that MRI a non-invasive and non-intrusive experimental technique can indeed provide a wealth of different qualitative and quantitative data and is especially well suited for averaged transport processes in adiabatic and diabatic multi-phase and/or multi-component flows.

Multiphase flow modelling of volcanic ash particle settling in water using adaptive unstructured meshes

NASA Astrophysics Data System (ADS)

Jacobs, C. T.; Collins, G. S.; Piggott, M. D.; Kramer, S. C.; Wilson, C. R. G.

2013-02-01

Small-scale experiments of volcanic ash particle settling in water have demonstrated that ash particles can either settle slowly and individually, or rapidly and collectively as a gravitationally unstable ash-laden plume. This has important implications for the emplacement of tephra deposits on the seabed. Numerical modelling has the potential to extend the results of laboratory experiments to larger scales and explore the conditions under which plumes may form and persist, but many existing models are computationally restricted by the fixed mesh approaches that they employ. In contrast, this paper presents a new multiphase flow model that uses an adaptive unstructured mesh approach. As a simulation progresses, the mesh is optimized to focus numerical resolution in areas important to the dynamics and decrease it where it is not needed, thereby potentially reducing computational requirements. Model verification is performed using the method of manufactured solutions, which shows the correct solution convergence rates. Model validation and application considers 2-D simulations of plume formation in a water tank which replicate published laboratory experiments. The numerically predicted settling velocities for both individual particles and plumes, as well as instability behaviour, agree well with experimental data and observations. Plume settling is clearly hindered by the presence of a salinity gradient, and its influence must therefore be taken into account when considering particles in bodies of saline water. Furthermore, individual particles settle in the laminar flow regime while plume settling is shown (by plume Reynolds numbers greater than unity) to be in the turbulent flow regime, which has a significant impact on entrainment and settling rates. Mesh adaptivity maintains solution accuracy while providing a substantial reduction in computational requirements when compared to the same simulation performed using a fixed mesh, highlighting the benefits of an adaptive unstructured mesh approach.

Coupled numerical simulation of fire in tunnel

NASA Astrophysics Data System (ADS)

Pesavento, F.; Pachera, M.; Schrefler, B. A.; Gawin, D.; Witek, A.

2018-01-01

In this work, a coupling strategy for the analysis of a tunnel under fire is presented. This strategy consists in a "one-way" coupling between a tool considering the computational fluid dynamics and radiation with a model treating concrete as a multiphase porous material exposed to high temperature. This global approach allows for taking into account in a realistic manner the behavior of the "system tunnel", composed of the fluid and the solid domain (i.e. the concrete structures), from the fire onset, its development and propagation to the response of the structure. The thermal loads as well as the moisture exchange between the structure surface and the environment are calculated by means of computational fluid dynamics. These set of data are passed in an automatic way to the numerical tool implementing a model based on Multiphase Porous Media Mechanics. Thanks to this strategy the structural verification is no longer based on the standard fire curves commonly used in the engineering practice, but it is directly related to a realistic fire scenario. To show the capability of this strategy some numerical simulations of a fire in the Brenner Base Tunnel, under construction between Italy and Austria, is presented. The numerical simulations show the effects of a more realistic distribution of the thermal loads with respect to the ones obtained by using the standard fire curves. Moreover, it is possible to highlight how the localized thermal load generates a non-uniform pressure rise in the material, which results in an increase of the structure stress state and of the spalling risk. Spalling is likely the most dangerous collapse mechanism for a concrete structure. This coupling approach still represents a "one way" strategy, i.e. realized without considering explicitly the mass and energy exchange from the structure to the fluid through the interface. This results in an approximation, but from physical point of view the current form of the solid-fluid coupling is considered sufficiently accurate in this first phase of the research.

Computational Fluid Dynamics Modeling of Macrosegregation and Shrinkage in Large-Diameter Steel Roll Castings

NASA Astrophysics Data System (ADS)

Nastac, Laurentiu

2011-12-01

Minimizing macrosegregation and shrinkage in large cast steel mill rolls challenges the limits of commercial foundry technology. Processing improvements have been achieved by balancing the total heat input of casting with the rate of heat extraction from the surface of the roll in the mold. A submerged entry nozzle (SEN) technique that injects a dilute alloy addition through a nozzle into the partially solidified net-shaped roll ingot can mitigate both centerline segregation and midradius channel segregate conditions. The objective of this study is to optimize the melt chemistry, solidification, and SEN conditions to minimize centerline and midradius segregation, and then to improve the quality of the transition region between the outer shell and the diluted interior region. To accomplish this objective, a multiphase, multicomponent computational fluid dynamics (CFD) code was developed for studying the macrosegregation and shrinkage under various casting conditions for a 65-ton, 1.6-m-diameter steel roll. The developed CFD framework consists of solving for the volume fraction of phases (air and steel mixture), temperature, flow, and solute balance in multicomponent alloy systems. Thermal boundary conditions were determined by measuring the temperature in the mold at several radial depths and height locations. The thermophysical properties including viscosity of steel alloy used in the simulations are functions of temperature. The steel mixture in the species-transfer model consists of the following elements: Fe, Mn, Si, S, P, C, Cr, Mo, and V. Density and liquidus temperature of the steel mixture are locally affected by the segregation of these elements. The model predictions were validated against macrosegregation measured from pieces cut from the 65-ton roll. The effect of key processing parameters such as melt composition and superheat of both the shell and the dilute interior alloy are addressed. The influence of mold type and thickness on macrosegregation and shrinkage also are discussed.

High-resolution simulations of multi-phase flow in magmatic-hydrothermal systems with realistic fluid properties

NASA Astrophysics Data System (ADS)

Geiger, S.; Driesner, T.; Matthai, S.; Heinrich, C.

2002-12-01

Realistic modelling of multi-phase fluid flow, energy and component transport in magmatic-hydrothermal systems is very challenging because hydrological properties of fluids and rocks vary over many orders of magnitude and the geometric complexities of such systems. Furthermore, density dependent component transport and transient permeability variations due to P-T changes and fluid-rock interactions introduce additional difficulties. As a result, the governing equations for the hydrodynamics, energy and component transport, and thermodynamics in magmatic hydrothermal systems are highly non-linear and strongly coupled. Essential requirements of a numerical formulation for such a system are: (1) a treatment of the hydrodynamics that can accurately resolve complex geological structures and represent the highly variable fluid velocities herein, (2) a realistic thermodynamic representation of the fluid properties including the wide P-T-X range of liquid+vapour coexistence for the highly saline fluids, and (3) an accurate handling of the highly contrasting transport properties of the two fluids. We are combining higher order finite-element (FE) methods with total variation diminishing finite volume (TVDFV) methods to model the hydrodynamics and energy and component transport of magmatic hydrothermal systems. Combined FE and TVDFV methods are mass and shock preserving, yield great geometric flexibility in 2D and 3D [2]. Furthermore, efficient matrix solvers can be employed to model fluid flow in geologically realistic structures [5]. The governing equations are linearized by operator-splitting and solved sequentially using a Picard iteration scheme. We chose the system water-NaCl as a realistic proxy for natural fluids occurring in magmatic-hydrothermal systems. An in-depth evaluation of the available experimental and theoretical data led to a consistent and accurate set of formulations for the PVTXH relations that are valid from 0 to 800 C, 0 to 500 MPa, and 0 to 1 XNaCl. Dynamic viscosities are currently approximated by the approach of Palliser and McKibbin [4]. The numerical solutions of the governing equations and the equation of state are embedded in our object-oriented C++ code CSP3D4.0 [6]. Comparisons of the numerical solutions carried out with CSP for solute transport with analytical solutions and classical test cases for density dependent flow (i.e., Elder problem [1]) show very good agreement. The numerical solutions carried out with CSP and the established United States Geological Survey code HYDROTHERM [3] for multi-phase flow and energy transport also yield a very good agreement. Fluid inclusion data can be used to constrain the PTX properties of the hydrothermal fluids in numerical solutions. [1] Journal of Fluid Mechanics 27, 609-623 [2] ANU Mathematical Research Report, MRR01-023 [3] USGS Water Investigations Report 94-4045 [4] Transport in Porous Media 33, 155-171 [5] AAPG Bulletin 80, 1763-1779 [6] CSP User's Guide, Dept. of Earth Sciences ETH Zurich

Simulation in Metallurgical Processing: Recent Developments and Future Perspectives

NASA Astrophysics Data System (ADS)

Ludwig, Andreas; Wu, Menghuai; Kharicha, Abdellah

2016-08-01

This article briefly addresses the most important topics concerning numerical simulation of metallurgical processes, namely, multiphase issues (particle and bubble motion and flotation/sedimentation of equiaxed crystals during solidification), multiphysics issues (electromagnetic stirring, electro-slag remelting, Cu-electro-refining, fluid-structure interaction, and mushy zone deformation), process simulations on graphical processing units, integrated computational materials engineering, and automatic optimization via simulation. The present state-of-the-art as well as requirements for future developments are presented and briefly discussed.

Numerical Studies of Fluid Leakage from a Geologic DisposalReservoir for CO2 Show Self-Limiting Feedback between Fluid Flow and HeatTransfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pruess, Karsten

2005-03-22

Leakage of CO2 from a hypothetical geologic storage reservoir along an idealized fault zone has been simulated, including transitions between supercritical, liquid, and gaseous CO2. We find strong non-isothermal effects due to boiling and Joule-Thomson cooling of expanding CO2. Leakage fluxes are limited by limitations in conductive heat transfer to the fault zone. The interplay between multiphase flow and heat transfer effects produces non-monotonic leakage behavior.

FY16 NRL DoD High Performance Computing Modernization Program Annual Reports

DTIC Science & Technology

2017-09-15

explored both wind and wave forcing in the numerical wave tank. The model uses high spatial and temporal resolution and a multi-phase formulation to...Results: The ADVED_NS code was used to predict the effect of the standoff distance between micron- diameter wires and flow frequency on the total...contours for a flow over 3D wire mesh. Figure 2 shows verifications comparing computed and theoretical drag forces for the flow over two cylinders in an

Optical Emission Studies of the NRL Plasma Torch for the Shipboard Waste Treatment Program

DTIC Science & Technology

1999-02-26

Arc Heating of Molten Steel in a Tundish", Plasma Chemistry and Plasma Processing, Vol.14, pp.361-381,1994. [3] H. Herman, "Plasma-sprayed...Treatment", Plasma Chemistry and Plasma Processing, Vol.15, pp.677-692,1995. [5] S. Paik and H.D. Nguyen, "Numerical Modeling of Multiphase Plasma/Soil Row...Gleizes, S. Vacquie and P. Brunelot, "Modeling of the Cathode Jet of a High- Power Transferred Arc", Plasma Chemistry and Plasma Processing, Vol.13

Mount St. Helens (Washington, USA) and World Trade Center (New York, USA) collapse: a fluid dynamic analogy

NASA Astrophysics Data System (ADS)

Doronzo, Domenico; de Tullio, Marco; Pascazio, Giuseppe; Dellino, Pierfrancesco

2013-04-01

When a skyscraper collapses, the non-fragmented material is rapidly deposited close to the source, whereas the fragmented counterpart is loaded turbulently in the associated currents. Indeed, on impact with the ground, collapses of volcanic columns, domes, or sectors of volcanoes generate thick deposits of coarser material, and from there on the finer material is suspended over the landscape, to be re-deposited far away in thin deposits. Here, we explore the multiphase fluid dynamic behavior of the World Trade Center (New York, USA) collapse, which on 11 September 2001 followed the fragmentation of the Twin Towers, and generated shear dusty currents. These currents had a multiphase and turbulent behavior, and resemble the volcanic flow generated during the 18 May 1980 explosive eruption of Mount St. Helens (Washington, USA), in which a sector of the volcano collapsed, then a highly mobile, multiphase turbulent current followed and heavily interacted with the surrounding landscape. This analogy allows to focus on the comparison between volcanic and skyscraper collapse. A computational fluid dynamic investigation, along with a locally refined Cartesian grid, are adopted to simulate numerically the propagation of the 11 September dusty currents in Manhattan. Results of flow dynamic pressure, the parameter of volcanic hazard, and particle deposition reveal that the pressure can locally increase up to a factor 10 because of flow-building interaction. Also, the surrounding buildings make the urban setting as of a high turbulence and exponential decay of deposit thickness.

The Pore-scale modeling of multiphase flows in reservoir rocks using the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Mu, Y.; Baldwin, C. H.; Toelke, J.; Grader, A.

2011-12-01

Digital rock physics (DRP) is a new technology to compute the physical and fluid flow properties of reservoir rocks. In this approach, pore scale images of the porous rock are obtained and processed to create highly accurate 3D digital rock sample, and then the rock properties are evaluated by advanced numerical methods at the pore scale. Ingrain's DRP technology is a breakthrough for oil and gas companies that need large volumes of accurate results faster than the current special core analysis (SCAL) laboratories can normally deliver. In this work, we compute the multiphase fluid flow properties of 3D digital rocks using D3Q19 immiscible LBM with two relaxation times (TRT). For efficient implementation on GPU, we improved and reformulated color-gradient model proposed by Gunstensen and Rothmann. Furthermore, we only use one-lattice with the sparse data structure: only allocate memory for pore nodes on GPU. We achieved more than 100 million fluid lattice updates per second (MFLUPS) for two-phase LBM on single Fermi-GPU and high parallel efficiency on Multi-GPUs. We present and discuss our simulation results of important two-phase fluid flow properties, such as capillary pressure and relative permeabilities. We also investigate the effects of resolution and wettability on multiphase flows. Comparison of direct measurement results with the LBM-based simulations shows practical ability of DRP to predict two-phase flow properties of reservoir rock.

Preliminary Numerical Simulations of Nozzle Formation in the Host Rock of Supersonic Volcanic Jets

NASA Astrophysics Data System (ADS)

Wohletz, K. H.; Ogden, D. E.; Glatzmaier, G. A.

2006-12-01

Recognizing the difficulty in quantitatively predicting how a vent changes during an explosive eruption, Kieffer (Kieffer, S.W., Rev. Geophys. 27, 1989) developed the theory of fluid dynamic nozzles for volcanism, utilizing a highly developed predictive scheme used extensively in aerodynamics for design of jet and rocket nozzles. Kieffer's work shows that explosive eruptions involve flow from sub to supersonic conditions through the vent and that these conditions control the erosion of the vent to nozzle shapes and sizes that maximize mass flux. The question remains how to predict the failure and erosion of vent host rocks by a high-speed, multiphase, compressible fluid that represents an eruption column. Clearly, in order to have a quantitative model of vent dynamics one needs a robust computational method for a turbulent, compressible, multiphase fluid. Here we present preliminary simulations of fluid flowing from a high-pressure reservoir through an eroding conduit and into the atmosphere. The eruptive fluid is modeled as an ideal gas, the host rock as a simple incompressible fluid with sandstone properties. Although these simulations do not yet include the multiphase dynamics of the eruptive fluid or the solid mechanics of the host rock, the evolution of the host rock into a supersonic nozzle is clearly seen. Our simulations show shock fronts both above the conduit, where the gas has expanded into the atmosphere, and within the conduit itself, thereby influencing the dynamics of the jet decompression.

Multiphase numerical analysis of heat pipe with different working fluids for solar applications

NASA Astrophysics Data System (ADS)

Aswath, S.; Netaji Naidu, V. H.; Padmanathan, P.; Raja Sekhar, Y.

2017-11-01

Energy crisis is a prognosis predicted in many cases with the indiscriminate encroachment of conventional energy sources for applications on a massive scale. This prediction, further emboldened by the marked surge in global average temperatures, attributed to climate change and global warming, the necessity to conserve the environment and explore alternate sources of energy is at an all-time high. Despite being among the lead candidates for such sources, solar energy is utilized far from its vast potential possibilities due to predominant economic constraints. Even while there is a growing need for solar panels at more affordable rates, the other options to harness better out of sun’s energy is to optimize and improvise existing technology. One such technology is the heat pipe used in Evacuated Tube Collectors (ETC). The applications of heat pipe have been gaining momentum in various fields since its inception and substantial volumes of research have explored optimizing and improving the technology which is proving effective in heat recovery and heat transfer better than conventional systems. This paper carries out a computational analysis on a comparative simulation between two working fluids within heat pipe of same geometry. It further endeavors to study the multiphase transitions within the heat pipe. The work is carried out using ANSYS Fluent with inputs taken from solar data for the location of Vellore, Tamil Nadu. A wickless, gravity-assisted heat pipe (GAHP) is taken for the simulation. Water and ammonia are used as the working fluids for comparative multiphase analysis to arrive at the difference in heat transfer at the condenser section. It is demonstrated that a heat pipe ETC with ammonia as working fluid showed higher heat exchange (temperature difference) as against that of water as working fluid. The multiphase model taken aided in study of phase transitions within both cases and supported the result of ammonia as fluid being a better candidate.

Attenuation of seismic waves in rocks saturated with multiphase fluids: theory and experiments

NASA Astrophysics Data System (ADS)

Tisato, N.; Quintal, B.; Chapman, S.; Podladchikov, Y.; Burg, J. P.

2016-12-01

Albeit seismic tomography could provide a detailed image of subsurface fluid distribution, the interpretation of the tomographic signals is often controversial and fails in providing a conclusive map of the subsurface saturation. However, tomographic information is important because the upward migration of multiphase fluids through the crust of the Earth can cause hazardous events such as eruptions, explosions, soil-pollution and earthquakes. In addition, multiphase fluids, such as hydrocarbons, represent important resources for economy. Seismic tomography can be improved considering complex elastic moduli and the attenuation of seismic waves (1/Q) that quantifies the energy lost by propagating elastic waves. In particular, a significant portion of the energy carried by the propagating wave is dissipated in saturated media by the wave-induced-fluid-flow (WIFF) and the wave-induced-gas-exsolution-dissolution (WIGED) mechanism. The latter describes how a propagating wave modifies the thermodynamic equilibrium between different fluid phases causing exsolution and dissolution of gas bubbles in the liquid, which in turn causes a significant frequency-dependent 1/Q and moduli dispersion. The WIGED theory was initially postulated for bubbly magmas but was only recently demonstrated and extended to bubbly water. We report the theory and laboratory experiments that have been performed to confirm the WIGED theory. In particular, we present i) attenuation measurements performed by means of the Broad Band Attenuation Vessel on porous media saturated with water and different gases, and ii) numerical experiments validating the laboratory observations. Then, we extend the theory to fluids and pressure-temperature conditions which are typical of phreatomagmatic and hydrocarbon domains and we compare the propagation of seismic waves in bubble-free and bubble-bearing subsurface domains. This work etends the knowledge of attenuation in rocks saturated with multiphase fluid and emphasizes that the WIGED mechanism is very important to image subsurface gas plumes.

Multiphase flow experiments, mathematical modeling and numerical simulation of the water - gas - solute movement

NASA Astrophysics Data System (ADS)

Li, Y.; Ma, X.; Su, N.

2013-12-01

The movement of water and solute into and through the vadose zone is, in essence, an issue of immiscible displacement in pore-space network of a soil. Therefore, multiphase flow and transport in porous media, referring to three medium: air, water, and the solute, pose one of the largest unresolved challenges for porous medium fluid seepage. However, this phenomenon has always been largely neglected. It is expected that a reliable analysis model of the multi-phase flow in soil can truly reflect the process of natural movement about the infiltration, which is impossible to be observed directly. In such cases, geophysical applications of the nuclear magnetic resonance (NMR) provides the opportunity to measure the water movements into soils directly over a large scale from tiny pore to regional scale, accordingly enable it available both on the laboratory and on the field. In addition, the NMR provides useful information about the pore space properties. In this study, we proposed both laboratory and field experiments to measure the multi-phase flow parameters, together with optimize the model in computer programming based on the fractional partial differential equations (fPDE). In addition, we establish, for the first time, an infiltration model including solute flowing with water, which has huge influence on agriculture and soil environment pollution. Afterwards, with data collected from experiments, we simulate the model and analyze the spatial variability of parameters. Simulations are also conducted according to the model to evaluate the effects of airflow on water infiltration and other effects such as solute and absorption. It has significant meaning to oxygen irrigation aiming to higher crop yield, and shed more light into the dam slope stability. In summary, our framework is a first-time model added in solute to have a mathematic analysis with the fPDE and more instructive to agriculture activities.

Viscosity and surface tension effects during multiphase flow in propped fractures

NASA Astrophysics Data System (ADS)

Dzikowski, Michał; Dąbrowski, Marcin

2017-04-01

Geological sequestration of CO2 was proposed as an important mechanism to reduce its emission into atmosphere. CO2 exhibits a higher affinity to organic matter than methane molecules and, potentially, it could be pumped and stored in shale reservoirs while enhancing late stage shale gas production. A successful analysis of CO2 sequestration in low matrix permeability rocks such as shales requires a thorough understanding of multiphase flow in stimulated rock fractures, which provide most significant pathways for fluids in such systems. Multiphase fracture flows are also of great relevance to brine, oil and gas migration in petroleum systems, water and stream circulation in geothermal reservoirs, and chemical transport of non-aqueous phase liquids in shallow hydrogeological systems, particularly in partially saturated zones. There are various physical models that describe phenomena taking place during multiphase flow through porous media. One of key aspects that need to be considered are pore-scale effects related to capillarity. Unfortunately, detailed models that describe motion and evolution of phase or component boundary require direct numerical simulations and spatial resolutions that are hard to reach when considering industrial relevant systems. Main aim of the presented work was the development of reduced 2.5D models based on Brinkman approximation of thin domain flow that would be able to capture local scale phenomena without expensive 3D simulations. Presented approach was designed specifically to tackle incompressible and immiscible systems and is based on Continuous Surface Force approach presented by Brackbill et al., implemented using Lattice Boltzmann Method. Presented approach where firstly validated against standard test cases with known classical solution and known experimental data. In the second part, we present and discuss two component, immiscible permeability data for rough and propped fracture obtained with our code for a rage of proppants fraction, apertures and flow conditions.

Numerical Modeling of Multiphase Fluid Flow in Ore-Forming Hydrothermal Systems

NASA Astrophysics Data System (ADS)

Weis, P.; Driesner, T.; Coumou, D.; Heinrich, C. A.

2007-12-01

Two coexisting fluid phases - a variably saline liquid and a vapor phase - are ubiquitous in ore-forming and other hydrothermal systems. Understanding the dynamics of phase separation and the distinct physical and chemical evolution of the two fluids probably plays a key role in generating different ore deposit types, e.g. porphyry type, high and low sulfidation Cu-Mo-Au deposits. To this end, processes within hydrothermal systems have been studied with a refined numerical model describing fluid flow in transient porous media (CSP~5.0). The model is formulated on a mass, energy and momentum conserving finite-element-finite-volume (FEFV) scheme and is capable of simulating multiphase flow of NaCl-H20 fluids. Fluid properties are computed from an improved equation of state (SOWAT~2.0). It covers conditions with temperatures of up to 1000 degrees~C, pressures of up to 500 MPa, and fluid salinities of 0~to 100%~NaCl. In particular, the new set-up allows for a more accurate description of fluid phase separation during boiling of hydrothermal fluids into a vapor and a brine phase. The geometric flexibility of the FEFV-meshes allows for investigations of a large variety of geological settings, ranging from ore-forming processes in magmatic hydrothermal system to the dynamics of black smokers at mid-ocean ridges. Simulations demonstrated that hydrothermal convection patterns above cooling plutons are primarily controlled by the system-scale permeability structure. In porphyry systems, high fluid pressures develop in a stock rising from the magma chamber which can lead to rock failure and, eventually, an increase in permeability due to hydrofracturing. Comparisons of the thermal evolution as inferred from modeling studies with data from fluid inclusion studies of the Pb-Zn deposits of Madan, Bulgaria are in a strikingly good agreement. This indicates that cross-comparisons of field observations, analytical data and numerical simulations will become a powerful tool towards a more thorough understanding of hydrothermal fluid processes. One such attempt will incorporate geometric data of veins in the Bingham porphyry Cu-Mo-Au deposit into our numerical model. The presentation will introduce the numerical model and show examples and first results of the aforementioned applications.

Fictitious domain method for fully resolved reacting gas-solid flow simulation

NASA Astrophysics Data System (ADS)

Zhang, Longhui; Liu, Kai; You, Changfu

2015-10-01

Fully resolved simulation (FRS) for gas-solid multiphase flow considers solid objects as finite sized regions in flow fields and their behaviours are predicted by solving equations in both fluid and solid regions directly. Fixed mesh numerical methods, such as fictitious domain method, are preferred in solving FRS problems and have been widely researched. However, for reacting gas-solid flows no suitable fictitious domain numerical method has been developed. This work presents a new fictitious domain finite element method for FRS of reacting particulate flows. Low Mach number reacting flow governing equations are solved sequentially on a regular background mesh. Particles are immersed in the mesh and driven by their surface forces and torques integrated on immersed interfaces. Additional treatments on energy and surface reactions are developed. Several numerical test cases validated the method and a burning carbon particles array falling simulation proved the capability for solving moving reacting particle cluster problems.

A weighted multiple-relaxation-time lattice Boltzmann method for multiphase flows and its application to partial coalescence cascades

NASA Astrophysics Data System (ADS)

Fakhari, Abbas; Bolster, Diogo; Luo, Li-Shi

2017-07-01

We present a lattice Boltzmann method (LBM) with a weighted multiple-relaxation-time (WMRT) collision model and an adaptive mesh refinement (AMR) algorithm for direct numerical simulation of two-phase flows in three dimensions. The proposed WMRT model enhances the numerical stability of the LBM for immiscible fluids at high density ratios, particularly on the D3Q27 lattice. The effectiveness and efficiency of the proposed WMRT-LBM-AMR is validated through simulations of (a) buoyancy-driven motion and deformation of a gas bubble rising in a viscous liquid; (b) the bag-breakup mechanism of a falling drop; (c) crown splashing of a droplet on a wet surface; and (d) the partial coalescence mechanism of a liquid drop at a liquid-liquid interface. The numerical simulations agree well with available experimental data and theoretical approximations where applicable.

Micro-PIV Study of Supercritical CO2-Water Interactions in Porous Micromodels

NASA Astrophysics Data System (ADS)

Kazemifar, Farzan; Blois, Gianluca; Christensen, Kenneth T.

2015-11-01

Multiphase flow of immiscible fluids in porous media is encountered in numerous natural systems and engineering applications such as enhanced oil recovery (EOR), and CO2 sequestration among others. Geological sequestration of CO2 in saline aquifers has emerged as a viable option for reducing CO2 emissions, and thus it has been the subject of numerous studies in recent years. A key objective is improving the accuracy of numerical models used for field-scale simulations by incorporation/better representation of the pore-scale flow physics. This necessitates experimental data for developing, testing and validating such models. We have studied drainage and imbibition processes in a homogeneous, two-dimensional porous micromodel with CO2 and water at reservoir-relevant conditions. Microscopic particle image velocimetry (micro-PIV) technique was applied to obtain spatially- and temporally-resolved velocity vector fields in the aqueous phase. The results provide new insight into the flow processes at the pore scale.

EDITORIAL: Measurement techniques for multiphase flows Measurement techniques for multiphase flows

NASA Astrophysics Data System (ADS)

Okamoto, Koji; Murai, Yuichi

2009-11-01

Research on multiphase flows is very important for industrial applications, including power stations, vehicles, engines, food processing and so on. Multiphase flows originally have nonlinear features because of multiphase systems. The interaction between the phases plays a very interesting role in the flows. The nonlinear interaction causes the multiphase flows to be very complicated. Therefore techniques for measuring multiphase flows are very useful in helping to understand the nonlinear phenomena. The state-of-the-art measurement techniques were presented and discussed at the sixth International Symposium on Measurement Techniques for Multiphase Flows (ISMTMF2008) held in Okinawa, Japan, on 15-17 December 2008. This special feature of Measurement Science and Technology includes selected papers from ISMTMF2008. Okinawa has a long history as the Ryukyus Kingdom. China, Japan and many western Pacific countries have had cultural and economic exchanges through Okinawa for over 1000 years. Much technical and scientific information was exchanged at the symposium in Okinawa. The proceedings of ISMTMF2008 apart from these special featured papers were published in Journal of Physics: Conference Series vol. 147 (2009). We would like to express special thanks to all the contributors to the symposium and this special feature. This special feature will be a milestone in measurement techniques for multiphase flows.

X-ray fluorescence at nanoscale resolution for multicomponent layered structures: A solar cell case study

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, Bradley M.; Stuckelberger, Michael; Jeffries, April

The study of a multilayered and multicomponent system by spatially resolved X-ray fluorescence microscopy poses unique challenges in achieving accurate quantification of elemental distributions. This is particularly true for the quantification of materials with high X-ray attenuation coefficients, depth-dependent composition variations and thickness variations. A widely applicable procedure for use after spectrum fitting and quantification is described. This procedure corrects the elemental distribution from the measured fluorescence signal, taking into account attenuation of the incident beam and generated fluorescence from multiple layers, and accounts for sample thickness variations. Deriving from Beer–Lambert's law, formulae are presented in a general integral formmore » and numerically applicable framework. Here, the procedure is applied using experimental data from a solar cell with a Cu(In,Ga)Se 2 absorber layer, measured at two separate synchrotron beamlines with varied measurement geometries. This example shows the importance of these corrections in real material systems, which can change the interpretation of the measured distributions dramatically.« less

Solutions for Reacting and Nonreacting Viscous Shock Layers with Multicomponent Diffusion and Mass Injection. Ph.D. Thesis - Virginia Polytechnic Inst. and State Univ.

NASA Technical Reports Server (NTRS)

Moss, J. N.

1971-01-01

Numerical solutions are presented for the viscous shocklayer equations where the chemistry is treated as being either frozen, equilibrium, or nonequilibrium. Also the effects of the diffusion model, surface catalyticity, and mass injection on surface transport and flow parameters are considered. The equilibrium calculations for air species using multicomponent: diffusion provide solutions previously unavailable. The viscous shock-layer equations are solved by using an implicit finite-difference scheme. The flow is treated as a mixture of inert and thermally perfect species. Also the flow is assumed to be in vibrational equilibrium. All calculations are for a 45 deg hyperboloid. The flight conditions are those for various altitudes and velocities in the earth's atmosphere. Data are presented showing the effects of the chemical models; diffusion models; surface catalyticity; and mass injection of air, water, and ablation products on heat transfer; skin friction; shock stand-off distance; wall pressure distribution; and tangential velocity, temperature, and species profiles.

X-ray fluorescence at nanoscale resolution for multicomponent layered structures: A solar cell case study

DOE PAGES

West, Bradley M.; Stuckelberger, Michael; Jeffries, April; ...

2017-01-01

The study of a multilayered and multicomponent system by spatially resolved X-ray fluorescence microscopy poses unique challenges in achieving accurate quantification of elemental distributions. This is particularly true for the quantification of materials with high X-ray attenuation coefficients, depth-dependent composition variations and thickness variations. A widely applicable procedure for use after spectrum fitting and quantification is described. This procedure corrects the elemental distribution from the measured fluorescence signal, taking into account attenuation of the incident beam and generated fluorescence from multiple layers, and accounts for sample thickness variations. Deriving from Beer–Lambert's law, formulae are presented in a general integral formmore » and numerically applicable framework. Here, the procedure is applied using experimental data from a solar cell with a Cu(In,Ga)Se 2 absorber layer, measured at two separate synchrotron beamlines with varied measurement geometries. This example shows the importance of these corrections in real material systems, which can change the interpretation of the measured distributions dramatically.« less

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

NASA Astrophysics Data System (ADS)

Daripa, Prabir; Dutta, Sourav

2017-04-01

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

Effects of resident water and non-equilibrium adsorption on the primary and enhanced coalbed methane gas recovery

NASA Astrophysics Data System (ADS)

Jahediesfanjani, Hossein

The major part of the gas in coalbed methane and shale gas reservoirs is stored as the adsorbed gas in the coal and organic materials of the black shale internal surfaces. The sorption sites in both reservoirs are composed of several macropores that contain very small pore sizes. Therefore, the adsorption/desorption is very slow process and follows a non-equilibrium trend. The time-dependency of the sorption process is further affected by the reservoir resident water. Water can diffuse into the matrix and adsorption sites, plug the pores and affect the reservoir gas production. This study presents an experimental and theoretical procedure to investigate the effects of the resident water and time-dependency of the sorption process on coalbed and shale gas primary and enhanced recovery by simultaneous CO 2/N2 injection. Series of the experiments are conducted to construct both equilibrium and non-equilibrium single and multi-component isotherms with the presence of water. A novel and rapid data interpretation technique is developed based on the nonequilibrium adsorption/desorption thermodynamics, mass conservation law, and volume filling adsorption theory. The developed technique is implemented to construct both equilibrium and non-equilibrium multi-component multi-phase isotherms from the early time experimental measurements. The non-equilibrium isotherms are incorporated in the coalbed methane/shale gas reservoir simulations to account for the time-dependency of the sorption process. The experimental results indicate that the presence of water in the sorption system reduces both carbon dioxide and nitrogen adsorption rates. Reduction in the adsorption rate for carbon dioxide is more than nitrogen. The results also indicate that the resident water reduces the adsorption ability of low rank coals more than high rank ones. The results of the multi-component sorption tests indicate that increasing the initial mole fraction of the nitrogen gas in the injected CO2/N2 mixture will increase the net carbon dioxide sequestration rate on coals in the presence of water. The optimum CO2/N2 ratio that can result in the maximum carbon dioxide sequestration rate can be obtained by conducting the experiments for various CO2/N2 ratios. The results of applying the developed non-equilibrium interpretation technique for several literature and in-house data indicate that both the equilibrium and non-equilibrium isotherms can be constructed in shorter time period (around 70 times less than the time required with the equilibrium techniques) and with higher accuracy using this method. (Abstract shortened by UMI.)

Nanoparticle Additives for Multiphase Systems: Synthesis, Formulation and Characterization

DTIC Science & Technology

2012-01-01

ADDITIVES FOR MULTIPHASE SYSTEMS: SYNTHESIS , FORMULATION AND CHARACTERIZATION Vinod Kanniah University of Kentucky, vinodkanniah@gmail.com This Doctoral...UKnowledge@lsv.uky.edu. Recommended Citation Kanniah, Vinod, "NANOPARTICLE ADDITIVES FOR MULTIPHASE SYSTEMS: SYNTHESIS , FORMULATION AND CHARACTERIZATION...00-00-2012 to 00-00-2012 4. TITLE AND SUBTITLE Nanoparticle Additives for Multiphase Systems: Synthesis , Formulation and Characterization 5a

Pelton turbine Needle erosion prediction based on 3D three- phase flow simulation

NASA Astrophysics Data System (ADS)

Chongji, Z.; Yexiang, X.; Wei, Z.; Yangyang, Y.; Lei, C.; Zhengwei, W.

2014-03-01

Pelton turbine, which applied to the high water head and small flow rate, is widely used in the mountainous area. During the operation period the sediment contained in the water does not only induce the abrasion of the buckets, but also leads to the erosion at the nozzle which may damage the needle structure. The nozzle and needle structure are mainly used to form high quality cylindrical jet and increase the efficiency of energy exchange in the runner to the most. Thus the needle erosion will lead to the deformation of jet, and then may cause the efficiency loss and cavitation. The favourable prediction of abrasion characteristic of needle can effectively guide the optimization design and maintenance of needle structure. This paper simulated the unsteady three-dimensional multi-phase flow in the nozzle and injected jet flow. As the jet containing water and sediment is injected into the free atmosphere air with high velocity, the VOF model was adopted to predict the water and air flow. The sediment is simplified into round solid particle and the discrete particle model (DPM) was employed to predict the needle abrasion characteristic. The sand particle tracks were analyzed to interpret the mechanism of sand erosion on the needle surface. And the numerical result of needle abrasion was obtained and compared with the abrasion field observation. The similarity of abrasion pattern between the numerical results and field observation illustrated the validity of the 3D multi-phase flow simulation method.

An upscaling method and a numerical analysis of swelling/shrinking processes in a compacted bentonite/sand mixture

NASA Astrophysics Data System (ADS)

Xie, M.; Agus, S. S.; Schanz, T.; Kolditz, O.

2004-12-01

This paper presents an upscaling concept of swelling/shrinking processes of a compacted bentonite/sand mixture, which also applies to swelling of porous media in general. A constitutive approach for highly compacted bentonite/sand mixture is developed accordingly. The concept is based on the diffuse double layer theory and connects microstructural properties of the bentonite as well as chemical properties of the pore fluid with swelling potential. Main factors influencing the swelling potential of bentonite, i.e. variation of water content, dry density, chemical composition of pore fluid, as well as the microstructures and the amount of swelling minerals are taken into account. According to the proposed model, porosity is divided into interparticle and interlayer porosity. Swelling is the potential of interlayer porosity increase, which reveals itself as volume change in the case of free expansion, or turns to be swelling pressure in the case of constrained swelling. The constitutive equations for swelling/shrinking are implemented in the software GeoSys/RockFlow as a new chemo-hydro-mechanical model, which is able to simulate isothermal multiphase flow in bentonite. Details of the mathematical and numerical multiphase flow formulations, as well as the code implementation are described. The proposed model is verified using experimental data of tests on a highly compacted bentonite/sand mixture. Comparison of the 1D modelling results with the experimental data evidences the capability of the proposed model to satisfactorily predict free swelling of the material under investigation. Copyright

Consistent simulation of droplet evaporation based on the phase-field multiphase lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Safari, Hesameddin; Rahimian, Mohammad Hassan; Krafczyk, Manfred

2014-09-01

In the present article, we extend and generalize our previous article [H. Safari, M. H. Rahimian, and M. Krafczyk, Phys. Rev. E 88, 013304 (2013), 10.1103/PhysRevE.88.013304] to include the gradient of the vapor concentration at the liquid-vapor interface as the driving force for vaporization allowing the evaporation from the phase interface to work for arbitrary temperatures. The lattice Boltzmann phase-field multiphase modeling approach with a suitable source term, accounting for the effect of the phase change on the velocity field, is used to solve the two-phase flow field. The modified convective Cahn-Hilliard equation is employed to reconstruct the dynamics of the interface topology. The coupling between the vapor concentration and temperature field at the interface is modeled by the well-known Clausius-Clapeyron correlation. Numerous validation tests including one-dimensional and two-dimensional cases are carried out to demonstrate the consistency of the presented model. Results show that the model is able to predict the flow features around and inside an evaporating droplet quantitatively in quiescent as well as convective environments.

Consistent simulation of droplet evaporation based on the phase-field multiphase lattice Boltzmann method.

PubMed

Safari, Hesameddin; Rahimian, Mohammad Hassan; Krafczyk, Manfred

2014-09-01

In the present article, we extend and generalize our previous article [H. Safari, M. H. Rahimian, and M. Krafczyk, Phys. Rev. E 88, 013304 (2013)] to include the gradient of the vapor concentration at the liquid-vapor interface as the driving force for vaporization allowing the evaporation from the phase interface to work for arbitrary temperatures. The lattice Boltzmann phase-field multiphase modeling approach with a suitable source term, accounting for the effect of the phase change on the velocity field, is used to solve the two-phase flow field. The modified convective Cahn-Hilliard equation is employed to reconstruct the dynamics of the interface topology. The coupling between the vapor concentration and temperature field at the interface is modeled by the well-known Clausius-Clapeyron correlation. Numerous validation tests including one-dimensional and two-dimensional cases are carried out to demonstrate the consistency of the presented model. Results show that the model is able to predict the flow features around and inside an evaporating droplet quantitatively in quiescent as well as convective environments.

Lagrangian particle method for compressible fluid dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samulyak, Roman; Wang, Xingyu; Chen, Hsin -Chiang

A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is suitable for the simulation of complex free surface / multi-phase flows. The main contributions of our method, which is different from SPH in all other aspects, are (a) significant improvement of approximation of differential operators based on a polynomial fit via weighted least squares approximation and the convergence of prescribed order, (b) a second-order particle-based algorithm that reduces to the first-order upwind method at local extremalmore » points, providing accuracy and long term stability, and (c) more accurate resolution of entropy discontinuities and states at free inter-faces. While the method is consistent and convergent to a prescribed order, the conservation of momentum and energy is not exact and depends on the convergence order . The method is generalizable to coupled hyperbolic-elliptic systems. As a result, numerical verification tests demonstrating the convergence order are presented as well as examples of complex multiphase flows.« less

multiUQ: An intrusive uncertainty quantification tool for gas-liquid multiphase flows

NASA Astrophysics Data System (ADS)

Turnquist, Brian; Owkes, Mark

2017-11-01

Uncertainty quantification (UQ) can improve our understanding of the sensitivity of gas-liquid multiphase flows to variability about inflow conditions and fluid properties, creating a valuable tool for engineers. While non-intrusive UQ methods (e.g., Monte Carlo) are simple and robust, the cost associated with these techniques can render them unrealistic. In contrast, intrusive UQ techniques modify the governing equations by replacing deterministic variables with stochastic variables, adding complexity, but making UQ cost effective. Our numerical framework, called multiUQ, introduces an intrusive UQ approach for gas-liquid flows, leveraging a polynomial chaos expansion of the stochastic variables: density, momentum, pressure, viscosity, and surface tension. The gas-liquid interface is captured using a conservative level set approach, including a modified reinitialization equation which is robust and quadrature free. A least-squares method is leveraged to compute the stochastic interface normal and curvature needed in the continuum surface force method for surface tension. The solver is tested by applying uncertainty to one or two variables and verifying results against the Monte Carlo approach. NSF Grant #1511325.

Random Walk Particle Tracking For Multiphase Heat Transfer

NASA Astrophysics Data System (ADS)

Lattanzi, Aaron; Yin, Xiaolong; Hrenya, Christine

2017-11-01

As computing capabilities have advanced, direct numerical simulation (DNS) has become a highly effective tool for quantitatively predicting the heat transfer within multiphase flows. Here we utilize a hybrid DNS framework that couples the lattice Boltzmann method (LBM) to the random walk particle tracking (RWPT) algorithm. The main challenge of such a hybrid is that discontinuous fields pose a significant challenge to the RWPT framework and special attention must be given to the handling of interfaces. We derive a method for addressing discontinuities in the diffusivity field, arising at the interface between two phases. Analytical means are utilized to develop an interfacial tracer balance and modify the RWPT algorithm. By expanding the modulus of the stochastic (diffusive) step and only allowing a subset of the tracers within the high diffusivity medium to undergo a diffusive step, the correct equilibrium state can be restored (globally homogeneous tracer distribution). The new RWPT algorithm is implemented within the SUSP3D code and verified against a variety of systems: effective diffusivity of a static gas-solids mixture, hot sphere in unbounded diffusion, cooling sphere in unbounded diffusion, and uniform flow past a hot sphere.

A novel partitioning method for block-structured adaptive meshes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fu, Lin, E-mail: lin.fu@tum.de; Litvinov, Sergej, E-mail: sergej.litvinov@aer.mw.tum.de; Hu, Xiangyu Y., E-mail: xiangyu.hu@tum.de

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtainmore » the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.« less

Vertical multiphase flow correlations for high production rates and large tubulars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aggour, M.A.; Al-Yousef, H.Y.; Al-Muraikhi, A.J.

1996-02-01

Numerous correlations exist for predicting pressure drop in vertical multiphase flow. These correlations, however, were all developed and tested under limited operating conditions that do not match the high production rates and large tubulars normally found in the Middle East fields. This paper presents a comprehensive evaluation of existing correlations and modifications of some correlations to determine and recommend the best correlation or correlations for various field conditions. More than 400 field data sets covering tubing sizes from 2 3/8 to 7 inches, oil rates up to 23,200 B/D, water cuts up to 95%, and gas/oil ratio (GOR) up tomore » 927 scf/STB were used in this study. Considering all data combined, the Beggs and Brill correlation provided the best pressure predictions. However, the Hagedorn and Brown correlation was better for water cuts above 80%, while the Hasan and Kabir model was better for total liquid rates above 20,000 B/D. The Aziz correlation was significantly improved when the Orkiszewski flow-pattern transition criteria were used.« less

A computer code for multiphase all-speed transient flows in complex geometries. MAST version 1.0

NASA Technical Reports Server (NTRS)

Chen, C. P.; Jiang, Y.; Kim, Y. M.; Shang, H. M.

1991-01-01

The operation of the MAST code, which computes transient solutions to the multiphase flow equations applicable to all-speed flows, is described. Two-phase flows are formulated based on the Eulerian-Lagrange scheme in which the continuous phase is described by the Navier-Stokes equation (or Reynolds equations for turbulent flows). Dispersed phase is formulated by a Lagrangian tracking scheme. The numerical solution algorithms utilized for fluid flows is a newly developed pressure-implicit algorithm based on the operator-splitting technique in generalized nonorthogonal coordinates. This operator split allows separate operation on each of the variable fields to handle pressure-velocity coupling. The obtained pressure correction equation has the hyperbolic nature and is effective for Mach numbers ranging from the incompressible limit to supersonic flow regimes. The present code adopts a nonstaggered grid arrangement; thus, the velocity components and other dependent variables are collocated at the same grid. A sequence of benchmark-quality problems, including incompressible, subsonic, transonic, supersonic, gas-droplet two-phase flows, as well as spray-combustion problems, were performed to demonstrate the robustness and accuracy of the present code.

A novel partitioning method for block-structured adaptive meshes

NASA Astrophysics Data System (ADS)

Fu, Lin; Litvinov, Sergej; Hu, Xiangyu Y.; Adams, Nikolaus A.

2017-07-01

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtain the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.

Lagrangian particle method for compressible fluid dynamics

DOE PAGES

Samulyak, Roman; Wang, Xingyu; Chen, Hsin -Chiang

2018-02-09

A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is suitable for the simulation of complex free surface / multi-phase flows. The main contributions of our method, which is different from SPH in all other aspects, are (a) significant improvement of approximation of differential operators based on a polynomial fit via weighted least squares approximation and the convergence of prescribed order, (b) a second-order particle-based algorithm that reduces to the first-order upwind method at local extremalmore » points, providing accuracy and long term stability, and (c) more accurate resolution of entropy discontinuities and states at free inter-faces. While the method is consistent and convergent to a prescribed order, the conservation of momentum and energy is not exact and depends on the convergence order . The method is generalizable to coupled hyperbolic-elliptic systems. As a result, numerical verification tests demonstrating the convergence order are presented as well as examples of complex multiphase flows.« less

Multiphase Modeling of Secondary Atomization in a Shock Environment

NASA Astrophysics Data System (ADS)

St. Clair, Jeffrey; McGrath, Thomas; Balachandar, Sivaramakrishnan

2017-06-01

Understanding and developing accurate modeling strategies for shock-particulate interaction remains a challenging and important topic, with application to energetic materials development, volcanic eruptions, and safety/risk assessment. This work presents computational modeling of compressible multiphase flows with shock-induced droplet atomization. Droplet size has a strong influence on the interphase momentum and heat transfer. A test case is presented that is sensitive to this, requiring the dynamic modeling of the secondary atomization process occurring when the shock impacts the droplets. An Eulerian-Eulerian computational model that treats all phases as compressible, is hyperbolic and satisfies the 2nd Law of Thermodynamics is applied. Four different breakup models are applied to the test case in which a planar shock wave encounters a cloud of water droplets. The numerical results are compared with both experimental and previously-generated modeling results. The effect of the drag relation used is also investigated. The computed results indicate the necessity of using a droplet breakup model for this application, and the relative accuracy of results obtained with the different droplet breakup and drag models is discussed.

Numerical simulation of drop impact on a thin film: the origin of the droplets in the splashing regime

NASA Astrophysics Data System (ADS)

Xie, Zhihua; Che, Zhizhao; Ismail, Renad; Pain, Chris; Matar, Omar

2015-11-01

Drop impact on a liquid layer is a feature of numerous multiphase flow problems, and has been the subject of numerous theoretical, experimental and numerical investigations. In the splashing regime, however, little attention has been focused on the origin of the droplets that are formed during the splashing process. The objective of this study is to investigate this issue numerically in order to improve our understanding of the mechanisms underlying splashing as a function of the relevant system parameters. In contrast to the conventional two-phase flow approach, commonly used to simulate splashing, here, a three-dimensional, three-phase flow model, with adaptive, unstructured meshing, is employed to study the liquid (droplet) - gas (surrounding air) - liquid (thin film) system. In the cases to be presented, both liquid phases have the same fluid property, although, clearly, our method can be used in the more general case of two different liquids. Numerical results of droplet impact on a thin film are analysed to determine whether the origin of the droplets following impact corresponds to the mother drop, or the thin film, or both. EPSRC Programme Grant, MEMPHIS, EP/K0039761/1.

Structural Analysis Computer Programs for Rigid Multicomponent Pavement Structures with Discontinuities--WESLIQID and WESLAYER. Report 1. Program Development and Numerical Presentations.

DTIC Science & Technology

1981-05-01

represented as a Winkler foundation. The program can treat any number of slabs connected by steel bars or other load trans- fer devices at the joints...dimensional finite element method. The inherent flexibility of such an approach permits the analysis of a rigid pavement with steel bars and stabilized...layers and provides an efficient tool for analyzing stress conditions at the joint. Unfor- tunately, such a procedure would require a tremendously

Effects of selective fusion on the thermal history of the Moon, Mars, and Venus

USGS Publications Warehouse

Lee, W.H.K.

1968-01-01

A comparative study on the thermal history of the Moon, Mars, and Venus was made by numerical solutions of the heat equation including and excluding selective fusion of silicates. Selective fusion was approximated by melting in a multicomponent system and redistribution of radioactive elements. Effects on selective fusion on the thermal models are (1) lowering (by several hundred degrees centigrade) and stabilizing the internal temperature distribution, and (2) increasing the surface heat-flow. ?? 1968.

Numerical modeling of field-assisted ion-exchanged channel waveguides by the explicit consideration of space-charge buildup.

PubMed

Mrozek, Piotr

2011-08-01

A numerical model explicitly considering the space-charge density evolved both under the mask and in the region of optical structure formation was used to predict the profiles of Ag concentration during field-assisted Ag(+)-Na(+) ion exchange channel waveguide fabrication. The influence of the unequal values of diffusion constants and mobilities of incoming and outgoing ions, the value of a correlation factor (Haven ratio), and particularly space-charge density induced during the ion exchange, on the resulting profiles of Ag concentration was analyzed and discussed. It was shown that the incorporation into the numerical model of a small quantity of highly mobile ions other than exclusively Ag(+) and Na(+) may considerably affect the range and shape of calculated Ag profiles in the multicomponent glass. The Poisson equation was used to predict the electric field spread evolution in the glass substrate. The results of the numerical analysis were verified by the experimental data of Ag concentration in a channel waveguide fabricated using a field-assisted process.

Practical aspects and uncertainty analysis of biological effective dose (BED) regarding its three-dimensional calculation in multiphase radiotherapy treatment plans

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kauweloa, Kevin I., E-mail: Kauweloa@livemail.uthscsa.edu; Gutierrez, Alonso N.; Bergamo, Angelo

2014-07-15

Purpose: There is a growing interest in the radiation oncology community to use the biological effective dose (BED) rather than the physical dose (PD) in treatment plan evaluation and optimization due to its stronger correlation with radiobiological effects. Radiotherapy patients may receive treatments involving a single only phase or multiple phases (e.g., primary and boost). Since most treatment planning systems cannot calculate the analytical BED distribution in multiphase treatments, an approximate multiphase BED expression, which is based on the total physical dose distribution, has been used. The purpose of this paper is to reveal the mathematical properties of the approximatemore » BED formulation, relative to the true BED. Methods: The mathematical properties of the approximate multiphase BED equation are analyzed and evaluated. In order to better understand the accuracy of the approximate multiphase BED equation, the true multiphase BED equation was derived and the mathematical differences between the true and approximate multiphase BED equations were determined. The magnitude of its inaccuracies under common clinical circumstances was also studied. All calculations were performed on a voxel-by-voxel basis using the three-dimensional dose matrices. Results: Results showed that the approximate multiphase BED equation is accurate only when the dose-per-fractions (DPFs) in both the first and second phases are equal, which occur when the dose distribution does not significantly change between the phases. In the case of heterogeneous dose distributions, which significantly vary between the phases, there are fewer occurrences of equal DPFs and hence the inaccuracy of the approximate multiphase BED is greater. These characteristics are usually seen in the dose distributions being delivered to organs at risk rather than to targets. Conclusions: The finding of this study indicates that the true multiphase BED equation should be implemented in the treatment planning systems due to the inconsistent accuracy of the approximate multiphase BED equation in most of the clinical situations.« less

Dispersive effects on multicomponent transport through porous media

NASA Astrophysics Data System (ADS)

Dutta, Sourav; Daripa, Prabir

2017-11-01

We use a hybrid numerical method to solve a global pressure based porous media flow model of chemical enhanced oil recovery. This is an extension of our recent work. The numerical method is based on the use of a discontinuous finite element method and the modified method of characteristics. The impact of molecular diffusion and mechanical dispersion on the evolution of scalar concentration distributions are studied through numerical simulations of various flooding schemes. The relative importance of the advective, capillary diffusive and dispersive fluxes are compared over different flow regimes defined in the parameter space of Capillary number, Peclet number, longitudinal and transverse dispersion coefficients. Such studies are relevant for the design of effective injection policies and determining optimal combinations of chemical components for improving recovery. This work has been possible due to financial support from the U.S. National Science Foundation Grant DMS-1522782.

Oscillatory multiphase flow strategy for chemistry and biology.

PubMed

Abolhasani, Milad; Jensen, Klavs F

2016-07-19

Continuous multiphase flow strategies are commonly employed for high-throughput parameter screening of physical, chemical, and biological processes as well as continuous preparation of a wide range of fine chemicals and micro/nano particles with processing times up to 10 min. The inter-dependency of mixing and residence times, and their direct correlation with reactor length have limited the adaptation of multiphase flow strategies for studies of processes with relatively long processing times (0.5-24 h). In this frontier article, we describe an oscillatory multiphase flow strategy to decouple mixing and residence times and enable investigation of longer timescale experiments than typically feasible with conventional continuous multiphase flow approaches. We review current oscillatory multiphase flow technologies, provide an overview of the advancements of this relatively new strategy in chemistry and biology, and close with a perspective on future opportunities.

Multiphase model for transformation induced plasticity. Extended Leblond's model

NASA Astrophysics Data System (ADS)

Weisz-Patrault, Daniel

2017-09-01

Transformation induced plasticity (TRIP) classically refers to plastic strains observed during phase transitions that occur under mechanical loads (that can be lower than the yield stress). A theoretical approach based on homogenization is proposed to deal with multiphase changes and to extend the validity of the well known and widely used model proposed by Leblond (1989). The approach is similar, but several product phases are considered instead of one and several assumptions have been released. Thus, besides the generalization for several phases, one can mention three main improvements in the calculation of the local equivalent plastic strain: the deviatoric part of the phase transformation is taken into account, both parent and product phases are elastic-plastic with linear isotropic hardening and the applied stress is considered. Results show that classical issues of singularities arising in the Leblond's model (corrected by ad hoc numerical functions or thresholding) are solved in this contribution excepted when the applied equivalent stress reaches the yield stress. Indeed, in this situation the parent phase is entirely plastic as soon as the phase transformation begins and the same singularity as in the Leblond's model arises. A physical explanation of the cutoff function is introduced in order to regularize the singularity. Furthermore, experiments extracted from the literature dealing with multiphase transitions and multiaxial loads are compared with the original Leblond's model and the proposed extended version. For the extended version, very good agreement is observed without any fitting procedures (i.e., material parameters are extracted from other dedicated experiments) and for the original version results are more qualitative.

A Phase Field Model of Deformation Twinning: Nonlinear Theory and Numerical Simulations

DTIC Science & Technology

2011-03-01

the system. Concepts for mod- eling multiphase systems were advanced by Steinbach et al. [3] and Steinbach and Apel [4]. Fried and Gurtin [5] and...a3b3 in a three- dimensional vector space. The outer product is (a ⊗ b) AB = aAbB. Juxtaposition implies summation over one set of adjacent indices...e.g., ( AB ) AB = AACBCB. The colon denotes summation over two sets of indices; e.g., A : B = AABBAB and (C : E) AB = CABCDECD. The transpose of amatrix is

Efficient and robust relaxation procedures for multi-component mixtures including phase transition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Ee, E-mail: eehan@math.uni-bremen.de; Hantke, Maren, E-mail: maren.hantke@ovgu.de; Müller, Siegfried, E-mail: mueller@igpm.rwth-aachen.de

We consider a thermodynamic consistent multi-component model in multi-dimensions that is a generalization of the classical two-phase flow model of Baer and Nunziato. The exchange of mass, momentum and energy between the phases is described by additional source terms. Typically these terms are handled by relaxation procedures. Available relaxation procedures suffer from efficiency and robustness resulting in very costly computations that in general only allow for one-dimensional computations. Therefore we focus on the development of new efficient and robust numerical methods for relaxation processes. We derive exact procedures to determine mechanical and thermal equilibrium states. Further we introduce a novelmore » iterative method to treat the mass transfer for a three component mixture. All new procedures can be extended to an arbitrary number of inert ideal gases. We prove existence, uniqueness and physical admissibility of the resulting states and convergence of our new procedures. Efficiency and robustness of the procedures are verified by means of numerical computations in one and two space dimensions. - Highlights: • We develop novel relaxation procedures for a generalized, thermodynamically consistent Baer–Nunziato type model. • Exact procedures for mechanical and thermal relaxation procedures avoid artificial parameters. • Existence, uniqueness and physical admissibility of the equilibrium states are proven for special mixtures. • A novel iterative method for mass transfer is introduced for a three component mixture providing a unique and admissible equilibrium state.« less

COMMIX-PPC: A three-dimensional transient multicomponent computer program for analyzing performance of power plant condensers. Volume 1, Equations and numerics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chien, T.H.; Domanus, H.M.; Sha, W.T.

1993-02-01

The COMMIX-PPC computer pregrain is an extended and improved version of earlier COMMIX codes and is specifically designed for evaluating the thermal performance of power plant condensers. The COMMIX codes are general-purpose computer programs for the analysis of fluid flow and heat transfer in complex Industrial systems. In COMMIX-PPC, two major features have been added to previously published COMMIX codes. One feature is the incorporation of one-dimensional equations of conservation of mass, momentum, and energy on the tube stile and the proper accounting for the thermal interaction between shell and tube side through the porous-medium approach. The other added featuremore » is the extension of the three-dimensional conservation equations for shell-side flow to treat the flow of a multicomponent medium. COMMIX-PPC is designed to perform steady-state and transient. Three-dimensional analysis of fluid flow with heat transfer tn a power plant condenser. However, the code is designed in a generalized fashion so that, with some modification, it can be used to analyze processes in any heat exchanger or other single-phase engineering applications. Volume I (Equations and Numerics) of this report describes in detail the basic equations, formulation, solution procedures, and models for a phenomena. Volume II (User`s Guide and Manual) contains the input instruction, flow charts, sample problems, and descriptions of available options and boundary conditions.« less

Preface to the Special Issue on TOUGH Symposium 2015

NASA Astrophysics Data System (ADS)

Blanco-Martín, Laura

2017-11-01

The TOUGH Symposium 2015 was held in Berkeley, California, September 28-30, 2015. The TOUGH family of codes, developed at the Energy Geosciences Division of Lawrence Berkeley National Laboratory (LBNL), is a suite of computer programs for the simulation of multiphase and multicomponent fluid and heat flows in porous and fractured media with applications in many geosciences fields, such as geothermal reservoir engineering, nuclear waste disposal, geological carbon sequestration, oil and gas reservoirs, gas hydrate research, vadose zone hydrology and environmental remediation. Since the first release in the 1980s, many modifications and enhancements have been continuously made to TOUGH and its various descendants (iTOUGH2, TOUGH+, TOUGH-MP, TOUGHREACT, TOUGH+HYDRATE, TMVOC...), at LBNL and elsewhere. Today, these codes are used worldwide in academia, government organizations and private companies in problems involving coupled hydrological, thermal, biogeochemical and geomechanical processes. The Symposia, organized every 2-3 years, bring together developers and users for an open exchange on recent code enhancements and applications. In 2015, the Symposium was attended by one hundred participants, representing thirty-four nationalities. This Special Issue in Computers & Geosciences gathers extended versions of selected Symposium proceedings related to (i) recent enhancements to the TOUGH family of codes and (ii) coupled flow and geomechanics processes modeling.

High Pressure Cosmochemistry of Major Planetary Interiors: Laboratory Studies of the Water-rich Region of the System Ammonia-water

NASA Technical Reports Server (NTRS)

Nicol, M.; Johnson, M.; Koumvakalis, A. S.

1985-01-01

The behavior of gas-ice mixtures in major planets at very high pressures was studied. Some relevant pressure-temperature-composition (P-T-X) regions of the hydrogen (H2)-helium (He)-water (H2O-ammonia (NH3)-methane (CH4) phase diagram were determined. The studies, and theoretical model, of the relevant phases, are needed to interpret the compositions of ice-gas systems at conditions of planetary interest. The compositions and structures of a multiphase, multicomponent system at very high pressures care characterized, and the goal is to characterize this system over a wide range of low and high temperatures. The NH3-H2O compositions that are relevant to planetary problems yet are easy to prepare were applied. The P-T surface of water was examined and the corresponding surface for NH3 was determined. The T-X diagram of ammonia-water at atmospheric pressure was studied and two water-rich phases were found, NH3-2H2O (ammonia dihydrate), which melts incongruently, and NH3.H2O (ammonia monohydrate), which is nonstoichiometric and melts at a higher temperature than the dihydrate. It is suggested that a P-T surface at approximately the monohydrate composition and the P-X surface at room temperature is determined.

Field pilot test of surfactant-enhanced remediation of trichloroethane DNAPL in a sand aquifer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jackson, R.E.; Butler, G.W.; Londergan, J.T.

The sequence of lacustrine and outwash deposits beneath a vapor degreasing operation at the Paducah Gaseous Division Plant, Kentucky, is contaminated with trichloroethane due to leakage from a sewer/sump line. A plume of dissolved trichloroethane (TCE) extends throughout an area of approximately 3 km[sup 2] in the Regional Gravel Aquifer (RGA) which is located between 20 and 30 meters below ground surface. It is suspected that some 40,000 liters of TCE might have escaped into the subsurface at Paducah, most of which is still present in the lacustrine deposits and the underlying RGA as DNAPL. A field test to confirmmore » the presence of TCE DNAPL in the sandy, upper portion of the RGA around a monitoring well and to test the efficiency of the surfactant for TCE solubilization is described. The aqueous concentrations of TCE in this well have consistently been measured at 300--550 mg TCE/L over a period of three years. The use of Capillary and Bond numbers to estimate the improbability of mobilization of DNAPL due to the lowering of the interfacial tension is described. The multiphase, multicomponent simulator UTCHEM was used to simulate both the injection and extraction of the surfactant solution and the solubilization of the TCE by the surfactant micelles.« less

Numerical simulation of magmatic hydrothermal systems

USGS Publications Warehouse

Ingebritsen, S.E.; Geiger, S.; Hurwitz, S.; Driesner, T.

2010-01-01

The dynamic behavior of magmatic hydrothermal systems entails coupled and nonlinear multiphase flow, heat and solute transport, and deformation in highly heterogeneous media. Thus, quantitative analysis of these systems depends mainly on numerical solution of coupled partial differential equations and complementary equations of state (EOS). The past 2 decades have seen steady growth of computational power and the development of numerical models that have eliminated or minimized the need for various simplifying assumptions. Considerable heuristic insight has been gained from process-oriented numerical modeling. Recent modeling efforts employing relatively complete EOS and accurate transport calculations have revealed dynamic behavior that was damped by linearized, less accurate models, including fluid property control of hydrothermal plume temperatures and three-dimensional geometries. Other recent modeling results have further elucidated the controlling role of permeability structure and revealed the potential for significant hydrothermally driven deformation. Key areas for future reSearch include incorporation of accurate EOS for the complete H2O-NaCl-CO2 system, more realistic treatment of material heterogeneity in space and time, realistic description of large-scale relative permeability behavior, and intercode benchmarking comparisons. Copyright 2010 by the American Geophysical Union.

Investigation of Multiphase Flow in a Packed Bed Reactor Under Microgravity Conditions

NASA Technical Reports Server (NTRS)

Lian, Yongsheng; Motil, Brian; Rame, Enrique

2016-01-01

In this paper we study the two-phase flow phenomena in a packed bed reactor using an integrated experimental and numerical method. The cylindrical bed is filled with uniformly sized spheres. In the experiment water and air are injected into the bed simultaneously. The pressure distribution along the bed will be measured. The numerical simulation is based on a two-phase flow solver which solves the Navier-Stokes equations on Cartesian grids. A novel coupled level set and moment of fluid method is used to construct the interface. A sequential method is used to position spheres in the cylinder. Preliminary experimental results showed that the tested flow rates resulted in pulse flow. The numerical simulation revealed that air bubbles could merge into larger bubbles and also could break up into smaller bubbles to pass through the pores in the bed. Preliminary results showed that flow passed through regions where the porosity is high. Comparison between the experimental and numerical results in terms of pressure distributions at different flow injection rates will be conducted. Comparison of flow phenomena under terrestrial gravity and microgravity will be made.

Evolution of Local Microstructures: Spatial Instabilities of Coarsening Clusters

NASA Technical Reports Server (NTRS)

Frazier, Donald O.

1999-01-01

This work examines the diffusional growth of discrete phase particles dispersed within a matrix. Engineering materials are microstructurally heterogeneous, and the details of the microstructure determine how well that material performs in a given application. Critical to the development of designing multiphase microstructures with long-term stability is the process of Ostwald ripening. Ripening, or phase coarsening, is a diffusion-limited process which arises in polydisperse multiphase materials. Growth and dissolution occur because fluxes of solute, driven by chemical potential gradients at the interfaces of the dispersed phase material, depend on particle size. The kinetics of these processes are "competitive," dictating that larger particles grow at the expense of smaller ones, overall leading to an increase of the average particle size. The classical treatment of phase coarsening was done by Todes, Lifshitz, and Slyozov, (TLS) in the limit of zero volume fraction, V(sub v), of the dispersed phase. Since the publication of TLS theory there have been numerous investigations, many of which sought to describe the kinetic scaling behavior over a 0 range of volume fractions. Some studies in the literature report that the relative increase in coarsening rate at low (but not zero) volume fractions compared to that predicted by TLS is proportional to v(sub v)(exp 1/2), whereas others suggcest V(sub v)(exp 1/3). This issue has been resolved recently by simulation studies at low volume fractions in three dimensions by members of the Rensselaer/MSFC team. Our studies of ripening behavior using large-scale numerical simulations suggest that although there are different circumstances which can lead to either scaling law, the most important length scale at low volume fractions is the diffusional analog of the Debye screening length. The numerical simulations we employed exploit the use of a recently developed "snapshot" technique, and identifies the nature of the coarsening dynamics at various volume fractions. Preliminary results of numerical and experimental investigations, focused on the growth of finite particle clusters, provide important insight into the nature of the transition between the two scaling regimes. The companion microgravity experiment centers on the growth within finite particle clusters, and follows the temporal dynamics driving microstructural evolution, using holography.

Use of an Accurate DNS Particulate Flow Method to Supply and Validate Boundary Conditions for the MFIX Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhi-Gang Feng

2012-05-31

The simulation of particulate flows for industrial applications often requires the use of two-fluid models, where the solid particles are considered as a separate continuous phase. One of the underlining uncertainties in the use of the two-fluid models in multiphase computations comes from the boundary condition of the solid phase. Typically, the gas or liquid fluid boundary condition at a solid wall is the so called no-slip condition, which has been widely accepted to be valid for single-phase fluid dynamics provided that the Knudsen number is low. However, the boundary condition for the solid phase is not well understood. Themore » no-slip condition at a solid boundary is not a valid assumption for the solid phase. Instead, several researchers advocate a slip condition as a more appropriate boundary condition. However, the question on the selection of an exact slip length or a slip velocity coefficient is still unanswered. Experimental or numerical simulation data are needed in order to determinate the slip boundary condition that is applicable to a two-fluid model. The goal of this project is to improve the performance and accuracy of the boundary conditions used in two-fluid models such as the MFIX code, which is frequently used in multiphase flow simulations. The specific objectives of the project are to use first principles embedded in a validated Direct Numerical Simulation particulate flow numerical program, which uses the Immersed Boundary method (DNS-IB) and the Direct Forcing scheme in order to establish, modify and validate needed energy and momentum boundary conditions for the MFIX code. To achieve these objectives, we have developed a highly efficient DNS code and conducted numerical simulations to investigate the particle-wall and particle-particle interactions in particulate flows. Most of our research findings have been reported in major conferences and archived journals, which are listed in Section 7 of this report. In this report, we will present a brief description of these results.« less

Maintaining Quality and Confidence in Open-Source, Evolving Software: Lessons Learned with PFLOTRAN

NASA Astrophysics Data System (ADS)

Frederick, J. M.; Hammond, G. E.

2017-12-01

Software evolution in an open-source framework poses a major challenge to a geoscientific simulator, but when properly managed, the pay-off can be enormous for both the developers and the community at large. Developers must juggle implementing new scientific process models, adopting increasingly efficient numerical methods and programming paradigms, changing funding sources (or total lack of funding), while also ensuring that legacy code remains functional and reported bugs are fixed in a timely manner. With robust software engineering and a plan for long-term maintenance, a simulator can evolve over time incorporating and leveraging many advances in the computational and domain sciences. In this positive light, what practices in software engineering and code maintenance can be employed within open-source development to maximize the positive aspects of software evolution and community contributions while minimizing its negative side effects? This presentation will discusses steps taken in the development of PFLOTRAN (www.pflotran.org), an open source, massively parallel subsurface simulator for multiphase, multicomponent, and multiscale reactive flow and transport processes in porous media. As PFLOTRAN's user base and development team continues to grow, it has become increasingly important to implement strategies which ensure sustainable software development while maintaining software quality and community confidence. In this presentation, we will share our experiences and "lessons learned" within the context of our open-source development framework and community engagement efforts. Topics discussed will include how we've leveraged both standard software engineering principles, such as coding standards, version control, and automated testing, as well unique advantages of object-oriented design in process model coupling, to ensure software quality and confidence. We will also be prepared to discuss the major challenges faced by most open-source software teams, such as on-boarding new developers or one-time contributions, dealing with competitors or lookie-loos, and other downsides of complete transparency, as well as our approach to community engagement, including a user group email list, hosting short courses and workshops for new users, and maintaining a website. SAND2017-8174A

User's Guide for TOUGH2-MP - A Massively Parallel Version of the TOUGH2 Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Earth Sciences Division; Zhang, Keni; Zhang, Keni

TOUGH2-MP is a massively parallel (MP) version of the TOUGH2 code, designed for computationally efficient parallel simulation of isothermal and nonisothermal flows of multicomponent, multiphase fluids in one, two, and three-dimensional porous and fractured media. In recent years, computational requirements have become increasingly intensive in large or highly nonlinear problems for applications in areas such as radioactive waste disposal, CO2 geological sequestration, environmental assessment and remediation, reservoir engineering, and groundwater hydrology. The primary objective of developing the parallel-simulation capability is to significantly improve the computational performance of the TOUGH2 family of codes. The particular goal for the parallel simulator ismore » to achieve orders-of-magnitude improvement in computational time for models with ever-increasing complexity. TOUGH2-MP is designed to perform parallel simulation on multi-CPU computational platforms. An earlier version of TOUGH2-MP (V1.0) was based on the TOUGH2 Version 1.4 with EOS3, EOS9, and T2R3D modules, a software previously qualified for applications in the Yucca Mountain project, and was designed for execution on CRAY T3E and IBM SP supercomputers. The current version of TOUGH2-MP (V2.0) includes all fluid property modules of the standard version TOUGH2 V2.0. It provides computationally efficient capabilities using supercomputers, Linux clusters, or multi-core PCs, and also offers many user-friendly features. The parallel simulator inherits all process capabilities from V2.0 together with additional capabilities for handling fractured media from V1.4. This report provides a quick starting guide on how to set up and run the TOUGH2-MP program for users with a basic knowledge of running the (standard) version TOUGH2 code, The report also gives a brief technical description of the code, including a discussion of parallel methodology, code structure, as well as mathematical and numerical methods used. To familiarize users with the parallel code, illustrative sample problems are presented.« less

Methane Recycling During Burial of Methane Hydrate-Bearing Sediments

NASA Astrophysics Data System (ADS)

You, K.; Flemings, P. B.

2017-12-01

We quantitatively investigate the integral processes of methane hydrate formation from local microbial methane generation, burial of methane hydrate with sedimentation, and methane recycling at the base of the hydrate stability zone (BHSZ) with a multiphase multicomponent numerical model. Methane recycling happens in cycles, and there is not a steady state. Each cycle starts with free gas accumulation from hydrate dissociation below the BHSZ. This free gas flows upward under buoyancy, elevates the hydrate saturation and capillary entry pressure at the BHSZ, and this prevents more free gas flowing in. Later as this layer with elevated hydrate saturation is buried and dissociated, the large amount of free gas newly released and accumulated below rapidly intrudes into the hydrate stability zone, drives rapid hydrate formation and creates three-phase (gas, liquid and hydrate) equilibrium above the BHSZ. The gas front retreats to below the BHSZ until all the free gas is depleted. The shallowest depth that the free gas reaches in one cycle moves toward seafloor as more and more methane is accumulated to the BHSZ with time. More methane is stored above the BHSZ in the form of concentrated hydrate in sediments with relatively uniform pore throat, and/or with greater compressibility. It is more difficult to initiate methane recycling in passive continental margins where the sedimentation rate is low, and in sediments with low organic matter content and/or methanogenesis reaction rate. The presence of a permeable layer can store methane for significant periods of time without recycling. In a 2D system where the seafloor dips rapidly, the updip gas flow along the BHSZ transports more methane toward topographic highs where methane gas and elevated hydrate saturation intrude deeper into the hydrate stability zone within one cycle. This could lead to intermittent gas venting at seafloor at the topographic highs. This study provides insights on many phenomenon associated with methane recycling, such as the formation of free gas zone, concentrated hydrate zone, bottom simulating reflector, and overpressured zone around the BHSZ, and gas venting at seafloor.

Multiphase porous media modelling: A novel approach to predicting food processing performance.

PubMed

Khan, Md Imran H; Joardder, M U H; Kumar, Chandan; Karim, M A

2018-03-04

The development of a physics-based model of food processing is essential to improve the quality of processed food and optimize energy consumption. Food materials, particularly plant-based food materials, are complex in nature as they are porous and have hygroscopic properties. A multiphase porous media model for simultaneous heat and mass transfer can provide a realistic understanding of transport processes and thus can help to optimize energy consumption and improve food quality. Although the development of a multiphase porous media model for food processing is a challenging task because of its complexity, many researchers have attempted it. The primary aim of this paper is to present a comprehensive review of the multiphase models available in the literature for different methods of food processing, such as drying, frying, cooking, baking, heating, and roasting. A critical review of the parameters that should be considered for multiphase modelling is presented which includes input parameters, material properties, simulation techniques and the hypotheses. A discussion on the general trends in outcomes, such as moisture saturation, temperature profile, pressure variation, and evaporation patterns, is also presented. The paper concludes by considering key issues in the existing multiphase models and future directions for development of multiphase models.

Enhancement of Electrical Conductivity in Multicomponent Nanocomposites.

NASA Astrophysics Data System (ADS)

Ni, Xiaojuan; Hui, Chao; Su, Ninghai; Liu, Feng

To date, very limited theoretical or numerical analyses have been carried out to understand the electrical percolation properties in multicomponent nanocomposite systems. In this work, a disk-stick percolation model was developed to investigate the electrical percolation behavior of an electrically insulating matrix reinforced with one-dimensional (1D) and two-dimensional (2D) conductors via Monte Carlo simulation. The effective electrical conductivity was evaluated through Kirchhoff's current law by transforming it into an equivalent resistor network. The percolation threshold, equivalent resistance and conductivity were obtained from the distribution of nodal voltages by solving a system of linear equations with Gaussian elimination method. The effects of size, aspect ratio, relative concentration and contact patterns of 1D/2D inclusions on conductivity performance were examined. Our model is able to predict the electrical percolation threshold and evaluate the conductivity for hybrid systems with multiple components. The results suggest that carbon-based nanocomposites can have a high potential for applications where favorable electrical properties and low specific weight are required. We acknowledge the financial support from DOE-BES (No. DE-FG02-04ER46148).

Geometric construction of quantum hall clustering Hamiltonians

DOE PAGES

Lee, Ching Hua; Papić, Zlatko; Thomale, Ronny

2015-10-08

In this study, many fractional quantum Hall wave functions are known to be unique highest-density zero modes of certain “pseudopotential” Hamiltonians. While a systematic method to construct such parent Hamiltonians has been available for the infinite plane and sphere geometries, the generalization to manifolds where relative angular momentum is not an exact quantum number, i.e., the cylinder or torus, remains an open problem. This is particularly true for non-Abelian states, such as the Read-Rezayi series (in particular, the Moore-Read and Read-Rezayi Z 3 states) and more exotic nonunitary (Haldane-Rezayi and Gaffnian) or irrational (Haffnian) states, whose parent Hamiltonians involve complicatedmore » many-body interactions. Here, we develop a universal geometric approach for constructing pseudopotential Hamiltonians that is applicable to all geometries. Our method straightforwardly generalizes to the multicomponent SU(n) cases with a combination of spin or pseudospin (layer, subband, or valley) degrees of freedom. We demonstrate the utility of our approach through several examples, some of which involve non-Abelian multicomponent states whose parent Hamiltonians were previously unknown, and we verify the results by numerically computing their entanglement properties.« less

Fabrication of sophisticated two-dimensional organic nanoarchitectures thought hydrogen bond mediated molecular self assembly

NASA Astrophysics Data System (ADS)

Silly, Fabien

2012-02-01

Complex supramolecular two-dimensional (2D) networks are attracting considerable interest as highly ordered functional materials for applications in nanotechnology. The challenge consists in tailoring the ordering of one or more molecular species into specific architectures over an extended length scale with molecular precision. Highly organized supramolecular arrays can be obtained through self-assembly of complementary molecules which can interlock via intermolecular interactions. Molecules forming hydrogen bonds (H-bonds) are especially interesting building blocks for creating sophisticated organic architectures due to high selectivity and directionality of these bindings. We used scanning tunnelling microscopy to investigate at the atomic scale the formation of H-bonded 2D organic nanoarchitectures on surfaces. We mixed perylene derivatives having rectangular shape with melamine and DNA base having triangular and non symmetric shape respectively. We observe that molecule substituents play a key role in formation of the multicomponent H-bonded architectures. We show that the 2D self-assembly of these molecules can be tailored by adjusting the temperature and molecular ratio. We used these stimuli to successfully create numerous close-packed and porous 2D multicomponent structures.

iGeoT v1.0: Automatic Parameter Estimation for Multicomponent Geothermometry, User's Guide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spycher, Nicolas; Finsterle, Stefan

GeoT implements the multicomponent geothermometry method developed by Reed and Spycher [1984] into a stand-alone computer program to ease the application of this method and to improve the prediction of geothermal reservoir temperatures using full and integrated chemical analyses of geothermal fluids. Reservoir temperatures are estimated from statistical analyses of mineral saturation indices computed as a function of temperature. The reconstruction of the deep geothermal fluid compositions, and geothermometry computations, are all implemented into the same computer program, allowing unknown or poorly constrained input parameters to be estimated by numerical optimization. This integrated geothermometry approach presents advantages over classical geothermometersmore » for fluids that have not fully equilibrated with reservoir minerals and/or that have been subject to processes such as dilution and gas loss. This manual contains installation instructions for iGeoT, and briefly describes the input formats needed to run iGeoT in Automatic or Expert Mode. An example is also provided to demonstrate the use of iGeoT.« less

Internal structure of multiphase zinc-blende wurtzite gallium nitride nanowires.

PubMed

Jacobs, B W; Ayres, V M; Crimp, M A; McElroy, K

2008-10-08

In this paper, the internal structure of novel multiphase gallium nitride nanowires in which multiple zinc-blende and wurtzite crystalline domains grow simultaneously along the entire length of the nanowire is investigated. Orientation relationships within the multiphase nanowires are identified using high-resolution transmission electron microscopy of nanowire cross-sections fabricated with a focused ion beam system. A coherent interface between the zinc-blende and wurtzite phases is identified. A mechanism for catalyst-free vapor-solid multiphase nanowire nucleation and growth is proposed.

Computational investigations and grid refinement study of 3D transient flow in a cylindrical tank using OpenFOAM

NASA Astrophysics Data System (ADS)

Mohd Sakri, F.; Mat Ali, M. S.; Sheikh Salim, S. A. Z.

2016-10-01

The study of physic fluid for a liquid draining inside a tank is easily accessible using numerical simulation. However, numerical simulation is expensive when the liquid draining involves the multi-phase problem. Since an accurate numerical simulation can be obtained if a proper method for error estimation is accomplished, this paper provides systematic assessment of error estimation due to grid convergence error using OpenFOAM. OpenFOAM is an open source CFD-toolbox and it is well-known among the researchers and institutions because of its free applications and ready to use. In this study, three types of grid resolution are used: coarse, medium and fine grids. Grid Convergence Index (GCI) is applied to estimate the error due to the grid sensitivity. A monotonic convergence condition is obtained in this study that shows the grid convergence error has been progressively reduced. The fine grid has the GCI value below 1%. The extrapolated value from Richardson Extrapolation is in the range of the GCI obtained.

Phase segregation in multiphase turbulent channel flow

NASA Astrophysics Data System (ADS)

Bianco, Federico; Soldati, Alfredo

2014-11-01

The phase segregation of a rapidly quenched mixture (namely spinodal decomposition) is numerically investigated. A phase field approach is considered. Direct numerical simulation of the coupled Navier-Stokes and Cahn-Hilliard equations is performed with spectral accuracy and focus has been put on domain growth scaling laws, in a wide range of regimes. The numerical method has been first validated against well known results of literature, then spinodal decomposition in a turbulent bounded flow (channel flow) has been considered. As for homogeneous isotropic case, turbulent fluctuations suppress the segregation process when surface tension at the interfaces is relatively low (namely low Weber number regimes). For these regimes, segregated domains size reaches a statistically steady state due to mixing and break-up phenomena. In contrast with homogenous and isotropic turbulence, the presence of mean shear, leads to a typical domain size that show a wall-distance dependence. Finally, preliminary results on the effects to the drag forces at the wall, due to phase segregation, have been discussed. Regione FVG, program PAR-FSC.

Large eddy simulation modeling of particle-laden flows in complex terrain

NASA Astrophysics Data System (ADS)

Salesky, S.; Giometto, M. G.; Chamecki, M.; Lehning, M.; Parlange, M. B.

2017-12-01

The transport, deposition, and erosion of heavy particles over complex terrain in the atmospheric boundary layer is an important process for hydrology, air quality forecasting, biology, and geomorphology. However, in situ observations can be challenging in complex terrain due to spatial heterogeneity. Furthermore, there is a need to develop numerical tools that can accurately represent the physics of these multiphase flows over complex surfaces. We present a new numerical approach to accurately model the transport and deposition of heavy particles in complex terrain using large eddy simulation (LES). Particle transport is represented through solution of the advection-diffusion equation including terms that represent gravitational settling and inertia. The particle conservation equation is discretized in a cut-cell finite volume framework in order to accurately enforce mass conservation. Simulation results will be validated with experimental data, and numerical considerations required to enforce boundary conditions at the surface will be discussed. Applications will be presented in the context of snow deposition and transport, as well as urban dispersion.

Computational thermo-hydro-mechanics for freezing and thawing multiphase geological media in the finite deformation range

NASA Astrophysics Data System (ADS)

Sun, W.; Na, S.

2017-12-01

A stabilized thermo-hydro-mechanical (THM) finite element model is introduced to investigate the freeze-thaw action of frozen porous media in the finite deformation range. By applying the mixture theory, frozen soil is idealized as a composite consisting of three phases, i.e., solid grain, unfrozen water and ice crystal. A generalized hardening rule at finite strain is adopted to replicate how the elasto-plastic responses and critical state evolve under the influence of phase transitions and heat transfer. The enhanced particle interlocking and ice strengthening during the freezing processes and the thawing-induced consolidation at the geometrical nonlinear regimes are both replicated in numerical examples. The numerical issues due to lack of two-fold inf-sup condition and ill-conditioning of the system of equations are addressed. Numerical examples for engineering applications at cold region are analyzed via the proposed model to predict the impacts of changing climate on infrastructure at cold regions.

Effects of Faults on Petroleum Fluid Dynamics, Borderland Basins of Southern California

NASA Astrophysics Data System (ADS)

Jung, B.; Garven, G.; Boles, J. R.

2012-12-01

Multiphase flow modeling provides a useful quantitative tool for understanding crustal processes such as petroleum migration in geological systems, and also for characterizing subsurface environmental issues such as carbon sequestration in sedimentary basins. However, accurate modeling of multi-fluid behavior is often difficult because of the various coupled and nonlinear physics affecting multiphase fluid saturation and migration, including effects of capillarity and relative permeability, anisotropy and heterogeneity of the medium, and the effects of pore pressure, composition, and temperature on fluid properties. Regional fault structures also play a strong role in controlling fluid pathlines and mobility, so considering hydrogeologic effects of these structures is critical for testing exploration concepts, and for predicting the fate of injected fluids. To address these issues on spatially large and long temporal scales, we have developed a 2-D multiphase fluid flow model, coupled to heat flow, using a hybrid finite element and finite volume method. We have had good success in applying the multiphase flow model to fundamental issues of long-distance petroleum migration and accumulation in the Los Angeles basin, which is intensely faulted and disturbed by transpressional tectonic stresses, and host to the world's richest oil accumulation. To constrain the model, known subsurface geology and fault structures were rendered using geophysical logs from industry exploration boreholes and published seismic profiles. Plausible multiphase model parameters were estimated, either from known fault permeability measurements in similar strata in the Santa Barbara basin, and from known formation properties obtained from numerous oil fields in the Los Angeles basin. Our simulations show that a combination of continuous hydrocarbon generation and primary migration from upper Miocene source rocks in the central LA basin synclinal region, coupled with a subsiding basin fluid dynamics, favored the massive accumulation and alignment of hydrocarbon pools along the Newport-Inglewood fault zone (NIFZ). According to our multiphase flow calculations, the maximum formation water velocities within fault zones likely ranged between 1 ~ 2 m/yr during the middle Miocene to Pliocene (13 to 2.6 Ma). The estimated time for long-distance (~ 25 km) petroleum migration from source beds in the central basin to oil fields along the NIFZ is approximately 150,000 ~ 250,000 years, depending on the effective permeability assigned to the faults and adjacent interbedded sandstone and siltstone "petroleum aquifers". With an average long-distance flow rate (~ 0.6 m/yr) and fault permeability of 100 millidarcys (10-13 m2), the total petroleum oil of Inglewood oil field of 450 million barrels (~ 1.6 × 105 m3) would have accumulated rather quickly, likely over 25,000 years or less. The results also suggest that besides the thermal and structural history of the basin, the fault permeability, capillary pressure, and the configuration of aquifer and aquitard layers played an important role in controlling petroleum migration rates, patterns of flow, and the overall fluid mechanics of petroleum accumulation.

Development of axisymmetric lattice Boltzmann flux solver for complex multiphase flows

NASA Astrophysics Data System (ADS)

Wang, Yan; Shu, Chang; Yang, Li-Ming; Yuan, Hai-Zhuan

2018-05-01

This paper presents an axisymmetric lattice Boltzmann flux solver (LBFS) for simulating axisymmetric multiphase flows. In the solver, the two-dimensional (2D) multiphase LBFS is applied to reconstruct macroscopic fluxes excluding axisymmetric effects. Source terms accounting for axisymmetric effects are introduced directly into the governing equations. As compared to conventional axisymmetric multiphase lattice Boltzmann (LB) method, the present solver has the kinetic feature for flux evaluation and avoids complex derivations of external forcing terms. In addition, the present solver also saves considerable computational efforts in comparison with three-dimensional (3D) computations. The capability of the proposed solver in simulating complex multiphase flows is demonstrated by studying single bubble rising in a circular tube. The obtained results compare well with the published data.

Technical Report on NETL's Non Newtonian Multiphase Slurry Workshop: A path forward to understanding non-Newtonian multiphase slurry flows

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guenther, Chris; Garg, Rahul

2013-08-19

The Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) sponsored a workshop on non-Newtonian multiphase slurry at NETL’s Morgantown campus August 19 and 20, 2013. The objective of this special two-day meeting of 20-30 invited experts from industry, National Labs and academia was to identify and address technical issues associated with handling non-Newtonian multiphase slurries across various facilities managed by DOE. Particular emphasis during this workshop was placed on applications managed by the Office of Environmental Management (EM). The workshop was preceded by two webinars wherein personnel from ORP and NETL provided background information on the Hanford WTP projectmore » and discussed the critical design challenges facing this project. In non-Newtonian fluids, viscosity is not constant and exhibits a complex dependence on applied shear stress or deformation. Many applications under EM’s tank farm mission involve non-Newtonian slurries that are multiphase in nature; tank farm storage and handling, slurry transport, and mixing all involve multiphase flow dynamics, which require an improved understanding of the mechanisms responsible for rheological changes in non-Newtonian multiphase slurries (NNMS). To discuss the issues in predicting the behavior of NNMS, the workshop focused on two topic areas: (1) State-of-the-art in non-Newtonian Multiphase Slurry Flow, and (2) Scaling up with Confidence and Ensuring Safe and Reliable Long-Term Operation.« less

Diffusion approximation of the radiative-conductive heat transfer model with Fresnel matching conditions

NASA Astrophysics Data System (ADS)

Chebotarev, Alexander Yu.; Grenkin, Gleb V.; Kovtanyuk, Andrey E.; Botkin, Nikolai D.; Hoffmann, Karl-Heinz

2018-04-01

The paper is concerned with a problem of diffraction type. The study starts with equations of complex (radiative and conductive) heat transfer in a multicomponent domain with Fresnel matching conditions at the interfaces. Applying the diffusion, P1, approximation yields a pair of coupled nonlinear PDEs describing the radiation intensity and temperature for each component of the domain. Matching conditions for these PDEs, imposed at the interfaces between the domain components, are derived. The unique solvability of the obtained problem is proven, and numerical experiments are conducted.

Transport Phenomena During Equiaxed Solidification of Alloys

NASA Technical Reports Server (NTRS)

Beckermann, C.; deGroh, H. C., III

1997-01-01

Recent progress in modeling of transport phenomena during dendritic alloy solidification is reviewed. Starting from the basic theorems of volume averaging, a general multiphase modeling framework is outlined. This framework allows for the incorporation of a variety of microscale phenomena in the macroscopic transport equations. For the case of diffusion dominated solidification, a simplified set of model equations is examined in detail and validated through comparisons with numerous experimental data for both columnar and equiaxed dendritic growth. This provides a critical assessment of the various model assumptions. Models that include melt flow and solid phase transport are also discussed, although their validation is still at an early stage. Several numerical results are presented that illustrate some of the profound effects of convective transport on the final compositional and structural characteristics of a solidified part. Important issues that deserve continuing attention are identified.

Resolved-particle simulation by the Physalis method: Enhancements and new capabilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sierakowski, Adam J., E-mail: sierakowski@jhu.edu; Prosperetti, Andrea; Faculty of Science and Technology and J.M. Burgers Centre for Fluid Dynamics, University of Twente, P.O. Box 217, 7500 AE Enschede

2016-03-15

We present enhancements and new capabilities of the Physalis method for simulating disperse multiphase flows using particle-resolved simulation. The current work enhances the previous method by incorporating a new type of pressure-Poisson solver that couples with a new Physalis particle pressure boundary condition scheme and a new particle interior treatment to significantly improve overall numerical efficiency. Further, we implement a more efficient method of calculating the Physalis scalar products and incorporate short-range particle interaction models. We provide validation and benchmarking for the Physalis method against experiments of a sedimenting particle and of normal wall collisions. We conclude with an illustrativemore » simulation of 2048 particles sedimenting in a duct. In the appendix, we present a complete and self-consistent description of the analytical development and numerical methods.« less

A Senior Project-Based Multiphase Motor Drive System Development

ERIC Educational Resources Information Center

Abdel-Khalik, Ayman S.; Massoud, Ahmed M.; Ahmed, Shehab

2016-01-01

Adjustable-speed drives based on multiphase motors are of significant interest for safety-critical applications that necessitate wide fault-tolerant capabilities and high system reliability. Although multiphase machines are based on the same conceptual theory as three-phase machines, most undergraduate electrical machines and electric drives…

Virasoro symmetry of the constrained multicomponent Kadomtsev-Petviashvili hierarchy and its integrable discretization

NASA Astrophysics Data System (ADS)

Li, Chuanzhong; He, Jingsong

2016-06-01

We construct Virasoro-type additional symmetries of a kind of constrained multicomponent Kadomtsev-Petviashvili (KP) hierarchy and obtain the Virasoro flow equation for the eigenfunctions and adjoint eigenfunctions. We show that the algebraic structure of the Virasoro symmetry is retained under discretization from the constrained multicomponent KP hierarchy to the discrete constrained multicomponent KP hierarchy.

Strongly coupled fluid-particle flows in vertical channels. I. Reynolds-averaged two-phase turbulence statistics

NASA Astrophysics Data System (ADS)

Capecelatro, Jesse; Desjardins, Olivier; Fox, Rodney O.

2016-03-01

Simulations of strongly coupled (i.e., high-mass-loading) fluid-particle flows in vertical channels are performed with the purpose of understanding the fundamental physics of wall-bounded multiphase turbulence. The exact Reynolds-averaged (RA) equations for high-mass-loading suspensions are presented, and the unclosed terms that are retained in the context of fully developed channel flow are evaluated in an Eulerian-Lagrangian (EL) framework for the first time. A key distinction between the RA formulation presented in the current work and previous derivations of multiphase turbulence models is the partitioning of the particle velocity fluctuations into spatially correlated and uncorrelated components, used to define the components of the particle-phase turbulent kinetic energy (TKE) and granular temperature, respectively. The adaptive spatial filtering technique developed in our previous work for homogeneous flows [J. Capecelatro, O. Desjardins, and R. O. Fox, "Numerical study of collisional particle dynamics in cluster-induced turbulence," J. Fluid Mech. 747, R2 (2014)] is shown to accurately partition the particle velocity fluctuations at all distances from the wall. Strong segregation in the components of granular energy is observed, with the largest values of particle-phase TKE associated with clusters falling near the channel wall, while maximum granular temperature is observed at the center of the channel. The anisotropy of the Reynolds stresses both near the wall and far away is found to be a crucial component for understanding the distribution of the particle-phase volume fraction. In Part II of this paper, results from the EL simulations are used to validate a multiphase Reynolds-stress turbulence model that correctly predicts the wall-normal distribution of the two-phase turbulence statistics.

Strongly coupled fluid-particle flows in vertical channels. I. Reynolds-averaged two-phase turbulence statistics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Capecelatro, Jesse, E-mail: jcaps@illinois.edu; Desjardins, Olivier; Fox, Rodney O.

Simulations of strongly coupled (i.e., high-mass-loading) fluid-particle flows in vertical channels are performed with the purpose of understanding the fundamental physics of wall-bounded multiphase turbulence. The exact Reynolds-averaged (RA) equations for high-mass-loading suspensions are presented, and the unclosed terms that are retained in the context of fully developed channel flow are evaluated in an Eulerian–Lagrangian (EL) framework for the first time. A key distinction between the RA formulation presented in the current work and previous derivations of multiphase turbulence models is the partitioning of the particle velocity fluctuations into spatially correlated and uncorrelated components, used to define the components ofmore » the particle-phase turbulent kinetic energy (TKE) and granular temperature, respectively. The adaptive spatial filtering technique developed in our previous work for homogeneous flows [J. Capecelatro, O. Desjardins, and R. O. Fox, “Numerical study of collisional particle dynamics in cluster-induced turbulence,” J. Fluid Mech. 747, R2 (2014)] is shown to accurately partition the particle velocity fluctuations at all distances from the wall. Strong segregation in the components of granular energy is observed, with the largest values of particle-phase TKE associated with clusters falling near the channel wall, while maximum granular temperature is observed at the center of the channel. The anisotropy of the Reynolds stresses both near the wall and far away is found to be a crucial component for understanding the distribution of the particle-phase volume fraction. In Part II of this paper, results from the EL simulations are used to validate a multiphase Reynolds-stress turbulence model that correctly predicts the wall-normal distribution of the two-phase turbulence statistics.« less

A volume-filtered formulation to capture particle-shock interactions in multiphase compressible flows

NASA Astrophysics Data System (ADS)

Shallcross, Gregory; Capecelatro, Jesse

2017-11-01

Compressible particle-laden flows are common in engineering systems. Applications include but are not limited to water injection in high-speed jet flows for noise suppression, rocket-plume surface interactions during planetary landing, and explosions during coal mining operations. Numerically, it is challenging to capture these interactions due to the wide range of length and time scales. Additionally, there are many forms of the multiphase compressible flow equations with volume fraction effects, some of which are conflicting in nature. The purpose of this presentation is to develop the capability to accurately capture particle-shock interactions in systems with a large number of particles from dense to dilute regimes. A thorough derivation of the volume filtered equations is presented. The volume filtered equations are then implemented in a high-order, energy-stable Eulerian-Lagrangian framework. We show this framework is capable of decoupling the fluid mesh from the particle size, enabling arbitrary particle size distributions in the presence of shocks. The proposed method is then assessed against particle-laden shock tube data. Quantities of interest include fluid-phase pressure profiles and particle spreading rates. The effect of collisions in 2D and 3D are also evaluated.

A multiphase model for tissue construct growth in a perfusion bioreactor.

PubMed

O'Dea, R D; Waters, S L; Byrne, H M

2010-06-01

The growth of a cell population within a rigid porous scaffold in a perfusion bioreactor is studied, using a three-phase continuum model of the type presented by Lemon et al. (2006, Multiphase modelling of tissue growth using the theory of mixtures. J. Math. Biol., 52, 571-594) to represent the cell population (and attendant extracellular matrix), culture medium and porous scaffold. The bioreactor system is modelled as a 2D channel containing the cell-seeded rigid porous scaffold (tissue construct) which is perfused with culture medium. The study concentrates on (i) the cell-cell and cell-scaffold interactions and (ii) the impact of mechanotransduction mechanisms on construct composition. A numerical and analytical analysis of the model equations is presented and, depending upon the relative importance of cell aggregation and repulsion, markedly different cell movement is revealed. Additionally, mechanotransduction effects due to cell density, pressure and shear stress-mediated tissue growth are shown to generate qualitative differences in the composition of the resulting construct. The results of our simulations indicate that this model formulation (in conjunction with appropriate experimental data) has the potential to provide a means of identifying the dominant regulatory stimuli in a cell population.

Euler-Lagrange Simulations of Shock Wave-Particle Cloud Interaction

NASA Astrophysics Data System (ADS)

Koneru, Rahul; Rollin, Bertrand; Ouellet, Frederick; Park, Chanyoung; Balachandar, S.

2017-11-01

Numerical experiments of shock interacting with an evolving and fixed cloud of particles are performed. In these simulations we use Eulerian-Lagrangian approach along with state-of-the-art point-particle force and heat transfer models. As validation, we use Sandia Multiphase Shock Tube experiments and particle-resolved simulations. The particle curtain upon interaction with the shock wave is expected to experience Kelvin-Helmholtz (KH) and Richtmyer-Meshkov (RM) instabilities. In the simulations evolving the particle cloud, the initial volume fraction profile matches with that of Sandia Multiphase Shock Tube experiments, and the shock Mach number is limited to M =1.66. Measurements of particle dispersion are made at different initial volume fractions. A detailed analysis of the influence of initial conditions on the evolution of the particle cloudis presented. The early time behavior of the models is studied in the fixed bed simulations at varying volume fractions and shock Mach numbers.The mean gas quantities are measured in the context of 1-way and 2-way coupled simulations. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, Contract No. DE-NA0002378.

Optimization design of multiphase pump impeller based on combined genetic algorithm and boundary vortex flux diagnosis

NASA Astrophysics Data System (ADS)

Zhang, Jin-ya; Cai, Shu-jie; Li, Yong-jiang; Li, Yong-jiang; Zhang, Yong-xue

2017-12-01

A novel optimization design method for the multiphase pump impeller is proposed through combining the quasi-3D hydraulic design (Q3DHD), the boundary vortex flux (BVF) diagnosis, and the genetic algorithm (GA). The BVF diagnosis based on the Q3DHD is used to evaluate the objection function. Numerical simulations and hydraulic performance tests are carried out to compare the impeller designed only by the Q3DHD method and that optimized by the presented method. The comparisons of both the flow fields simulated under the same condition show that (1) the pressure distribution in the optimized impeller is more reasonable and the gas-liquid separation is more efficiently inhibited, (2) the scales of the gas pocket and the vortex decrease remarkably for the optimized impeller, (3) the unevenness of the BVF distributions near the shroud of the original impeller is effectively eliminated in the optimized impeller. The experimental results show that the differential pressure and the maximum efficiency of the optimized impeller are increased by 4% and 2.5%, respectively. Overall, the study indicates that the optimization design method proposed in this paper is feasible.

Phase-field-based multiple-relaxation-time lattice Boltzmann model for incompressible multiphase flows.

PubMed

Liang, H; Shi, B C; Guo, Z L; Chai, Z H

2014-05-01

In this paper, a phase-field-based multiple-relaxation-time lattice Boltzmann (LB) model is proposed for incompressible multiphase flow systems. In this model, one distribution function is used to solve the Chan-Hilliard equation and the other is adopted to solve the Navier-Stokes equations. Unlike previous phase-field-based LB models, a proper source term is incorporated in the interfacial evolution equation such that the Chan-Hilliard equation can be derived exactly and also a pressure distribution is designed to recover the correct hydrodynamic equations. Furthermore, the pressure and velocity fields can be calculated explicitly. A series of numerical tests, including Zalesak's disk rotation, a single vortex, a deformation field, and a static droplet, have been performed to test the accuracy and stability of the present model. The results show that, compared with the previous models, the present model is more stable and achieves an overall improvement in the accuracy of the capturing interface. In addition, compared to the single-relaxation-time LB model, the present model can effectively reduce the spurious velocity and fluctuation of the kinetic energy. Finally, as an application, the Rayleigh-Taylor instability at high Reynolds numbers is investigated.

A simple mass-conserved level set method for simulation of multiphase flows

NASA Astrophysics Data System (ADS)

Yuan, H.-Z.; Shu, C.; Wang, Y.; Shu, S.

2018-04-01

In this paper, a modified level set method is proposed for simulation of multiphase flows with large density ratio and high Reynolds number. The present method simply introduces a source or sink term into the level set equation to compensate the mass loss or offset the mass increase. The source or sink term is derived analytically by applying the mass conservation principle with the level set equation and the continuity equation of flow field. Since only a source term is introduced, the application of the present method is as simple as the original level set method, but it can guarantee the overall mass conservation. To validate the present method, the vortex flow problem is first considered. The simulation results are compared with those from the original level set method, which demonstrates that the modified level set method has the capability of accurately capturing the interface and keeping the mass conservation. Then, the proposed method is further validated by simulating the Laplace law, the merging of two bubbles, a bubble rising with high density ratio, and Rayleigh-Taylor instability with high Reynolds number. Numerical results show that the mass is a well-conserved by the present method.

Multiphase, multicomponent phase behavior prediction

NASA Astrophysics Data System (ADS)

Dadmohammadi, Younas

Accurate prediction of phase behavior of fluid mixtures in the chemical industry is essential for designing and operating a multitude of processes. Reliable generalized predictions of phase equilibrium properties, such as pressure, temperature, and phase compositions offer an attractive alternative to costly and time consuming experimental measurements. The main purpose of this work was to assess the efficacy of recently generalized activity coefficient models based on binary experimental data to (a) predict binary and ternary vapor-liquid equilibrium systems, and (b) characterize liquid-liquid equilibrium systems. These studies were completed using a diverse binary VLE database consisting of 916 binary and 86 ternary systems involving 140 compounds belonging to 31 chemical classes. Specifically the following tasks were undertaken: First, a comprehensive assessment of the two common approaches (gamma-phi (gamma-ϕ) and phi-phi (ϕ-ϕ)) used for determining the phase behavior of vapor-liquid equilibrium systems is presented. Both the representation and predictive capabilities of these two approaches were examined, as delineated form internal and external consistency tests of 916 binary systems. For the purpose, the universal quasi-chemical (UNIQUAC) model and the Peng-Robinson (PR) equation of state (EOS) were used in this assessment. Second, the efficacy of recently developed generalized UNIQUAC and the nonrandom two-liquid (NRTL) for predicting multicomponent VLE systems were investigated. Third, the abilities of recently modified NRTL model (mNRTL2 and mNRTL1) to characterize liquid-liquid equilibria (LLE) phase conditions and attributes, including phase stability, miscibility, and consolute point coordinates, were assessed. The results of this work indicate that the ϕ-ϕ approach represents the binary VLE systems considered within three times the error of the gamma-ϕ approach. A similar trend was observed for the for the generalized model predictions using quantitative structure-property parameter generalizations (QSPR). For ternary systems, where all three constituent binary systems were available, the NRTL-QSPR, UNIQUAC-QSPR, and UNIFAC-6 models produce comparable accuracy. For systems where at least one constituent binary is missing, the UNIFAC-6 model produces larger errors than the QSPR generalized models. In general, the LLE characterization results indicate the accuracy of the modified models in reproducing the findings of the original NRTL model.

Two-Phase Model of Combustion in Explosions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuhl, A L; Khasainov, B; Bell, J

2006-06-19

A two-phase model for Aluminum particle combustion in explosions is proposed. It combines the gas-dynamic conservation laws for the gas phase with the continuum mechanics laws of multi-phase media, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by the Khasainov model. Combustion is specified as material transformations in the Le Chatelier diagram which depicts the locus of thermodynamic states in the internal energy-temperature plane according to Kuhl. Numerical simulations are used to show the evolution of two-phase combustion fields generated by the explosive dissemination of a powdered Al fuel.

Water Management In PEM Fuel Cell -“ A Lattice-Boltzmann Modeling Approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mukherjee, Shiladitya; Cole, James Vernon; Jain, Kunal

2009-06-01

In Proton Exchange Membrane Fuel Cells (PEMFCs), water management and the effective transport of water through the gas-diffusion-layer (GDL) are key issues for improved performance at high power density and for durability during freeze-thaw cycles. The diffusion layer is a thin (~150-350{micro}m), porous material typically composed of a web of carbon fibers and particles, and is usually coated with hydrophobic Teflon to remove the excess water through capillary action. In-situ diagnostics of water movement and gas-reactant transport through this thin opaque substrate is challenging. Numerical analyses are typically based on simplified assumptions, such as Darcy's Law and Leverett functions formore » the capillary pressure. The objective of this work is to develop a high fidelity CFD modeling and analysis tool to capture the details of multiphase transport through the porous GDL. The tool can be utilized to evaluate GDL material design concepts and optimize systems based on the interactions between cell design, materials, and operating conditions. The flow modeling is based on the Lattice Boltzmann Method (LBM). LBM is a powerful modeling tool to simulate multiphase flows. Its strength is in its kinetic theory based foundation, which provides a fundamental basis for incorporating intermolecular forces that lead to liquid-gas phase separation and capillary effects without resorting to expensive or ad-hoc interface reconstruction schemes. At the heart of the solution algorithm is a discrete form of the well-known Boltzmann Transport Equation (BTE) for molecular distribution, tailored to recover the continuum Navier-Stokes flow. The solution advances by a streaming and collision type algorithm, mimicking actual molecular physics, which makes it suitable for porous media involving complex boundaries. We developed a numerical scheme to reconstruct various porous GDL microstructures including Teflon loading. Single and multiphase LBM models are implemented to compute permeability. Predicted values are in good agreement with measured data. The present modeling approach resolves the GDL microstructures and captures the influence of fiber orientation on permeability and the influence of Teflon loading on the development of preferential flow paths through the GDL. These observations can potentially guide the development of novel GDL materials designed for efficient removal of water.« less

Numerical simulation of advection fog formation on multi-disperse aerosols due to combustion-related pollutants

NASA Technical Reports Server (NTRS)

Hung, R. J.; Liaw, G. S.

1980-01-01

The effects of multi-disperse distribution of the aerosol population are presented. Single component and multi-component aerosol species on the condensation/nucleation processes which affect the reduction in visibility are described. The aerosol population with a high particle concentration provided more favorable conditions for the formation of a denser fog than the aerosol population with a greater particle size distribution when the value of the mass concentration of the aerosols was kept constant. The results were used as numerical predictions of fog formation. Two dimensional observations in horizontal and vertical coordinates, together with time-dependent measurements were needed as initial values for the following physical parameters: (1)wind profiles; (2) temperature profiles; (3) humidity profiles; (4) mass concentration of aerosol particles; (5) particle size distribution of aerosols; and (6) chemical composition of aerosols. Formation and dissipation of advection fog, thus, can be forecasted numerically by introducing initial values obtained from the observations.

Generalized Cahn-Hilliard equation for solutions with drastically different diffusion coefficients. Application to exsolution in ternary feldspar

NASA Astrophysics Data System (ADS)

Petrishcheva, E.; Abart, R.

2012-04-01

We address mathematical modeling and computer simulations of phase decomposition in a multicomponent system. As opposed to binary alloys with one common diffusion parameter, our main concern is phase decomposition in real geological systems under influence of strongly different interdiffusion coefficients, as it is frequently encountered in mineral solid solutions with coupled diffusion on different sub-lattices. Our goal is to explain deviations from equilibrium element partitioning which are often observed in nature, e.g., in a cooled ternary feldspar. To this end we first adopt the standard Cahn-Hilliard model to the multicomponent diffusion problem and account for arbitrary diffusion coefficients. This is done by using Onsager's approach such that flux of each component results from the combined action of chemical potentials of all components. In a second step the generalized Cahn-Hilliard equation is solved numerically using finite-elements approach. We introduce and investigate several decomposition scenarios that may produce systematic deviations from the equilibrium element partitioning. Both ideal solutions and ternary feldspar are considered. Typically, the slowest component is initially "frozen" and the decomposition effectively takes place only for two "fast" components. At this stage the deviations from the equilibrium element partitioning are indeed observed. These deviations may became "frozen" under conditions of cooling. The final equilibration of the system occurs on a considerably slower time scale. Therefore the system may indeed remain unaccomplished at the observation point. Our approach reveals the intrinsic reasons for the specific phase separation path and rigorously describes it by direct numerical solution of the generalized Cahn-Hilliard equation.

Three-dimensional model for multi-component reactive transport with variable density groundwater flow

USGS Publications Warehouse

Mao, X.; Prommer, H.; Barry, D.A.; Langevin, C.D.; Panteleit, B.; Li, L.

2006-01-01

PHWAT is a new model that couples a geochemical reaction model (PHREEQC-2) with a density-dependent groundwater flow and solute transport model (SEAWAT) using the split-operator approach. PHWAT was developed to simulate multi-component reactive transport in variable density groundwater flow. Fluid density in PHWAT depends not on only the concentration of a single species as in SEAWAT, but also the concentrations of other dissolved chemicals that can be subject to reactive processes. Simulation results of PHWAT and PHREEQC-2 were compared in their predictions of effluent concentration from a column experiment. Both models produced identical results, showing that PHWAT has correctly coupled the sub-packages. PHWAT was then applied to the simulation of a tank experiment in which seawater intrusion was accompanied by cation exchange. The density dependence of the intrusion and the snow-plough effect in the breakthrough curves were reflected in the model simulations, which were in good agreement with the measured breakthrough data. Comparison simulations that, in turn, excluded density effects and reactions allowed us to quantify the marked effect of ignoring these processes. Next, we explored numerical issues involved in the practical application of PHWAT using the example of a dense plume flowing into a tank containing fresh water. It was shown that PHWAT could model physically unstable flow and that numerical instabilities were suppressed. Physical instability developed in the model in accordance with the increase of the modified Rayleigh number for density-dependent flow, in agreement with previous research. ?? 2004 Elsevier Ltd. All rights reserved.

Evaluation of tumor response to intra-arterial chemoembolization of hepatocellular carcinoma: Comparison of contrast-enhanced ultrasound with multiphase computed tomography.

PubMed

Paul, S B; Dhamija, E; Gamanagatti, S R; Sreenivas, V; Yadav, D P; Jain, S; Shalimar; Acharya, S K

2017-03-01

To compare the diagnostic accuracy of contrast-enhanced ultrasound (CEUS) with that of multiphase computed tomography (CT) in the evaluation of tumor response to transarterial chemoembolization (TACE) of hepatocellular carcinoma (HCC). Fifty patients (41 men, 9 women; mean age, 53 years±12.5 [SD]) with a total of 70 HCCs (mean size, 5cm±3 [SD]) were evaluated. Post-TACE therapeutic assessment of HCC was done at 4 weeks. Patients with TACE done earlier and reporting with suspicion for recurrence were also included. Patients with hepatic masses seen on ultrasound were enrolled and subjected to CEUS, multiphase CT and magnetic resonance imaging (MRI). Hyperenhancing area at the tumor site on arterial phase of CEUS/multiphase CT/MRI was termed as residual disease (RD), the patterns of which were described on CEUS. Diagnostic accuracies of CEUS and MPCT were compared to that of MRI that was used as the reference standard. CEUS detected RD in 43/70 HCCs (61%). RD had a heterogeneous pattern in 22/43 HCCs (51%). Sensitivities of CEUS and multiphase CT were 94% (34/36; 95% CI: 81-99%) and 50% (18/36; 95% CI: 33-67%) respectively. Significant difference in sensitivity was found between CEUS and multiphase CT (P=0.0001). CEUS and multiphase CT had 100% specificity (95% CI: 83-100%). CEUS is a useful technique for detecting RD in HCC after TACE. For long term surveillance, CEUS should be complemented with multiphase CT/MRI for a comprehensive evaluation. Copyright © 2016 Éditions françaises de radiologie. Published by Elsevier Masson SAS. All rights reserved.

Ring-Like Enhancement of Hepatocellular Carcinoma in Gadoxetic Acid-Enhanced Multiphasic Hepatic Arterial Phase Imaging With Differential Subsampling With Cartesian Ordering.

PubMed

Ichikawa, Shintaro; Motosugi, Utaroh; Oishi, Naoki; Shimizu, Tatsuya; Wakayama, Tetsuya; Enomoto, Nobuyuki; Matsuda, Masanori; Onishi, Hiroshi

2018-04-01

The aim of this study was to evaluate the efficacy of multiphasic hepatic arterial phase (HAP) imaging using DISCO (differential subsampling with Cartesian ordering) in increasing the confidence of diagnosis of hepatocellular carcinoma (HCC). This retrospective study was approved by the institutional review board, and the requirement for informed patient consent was waived. Consecutive patients (from 2 study periods) with malignant liver nodules were examined by gadoxetic acid-enhanced magnetic resonance imaging using either multiphasic (6 phases; n = 135) or single (n = 230) HAP imaging, which revealed 519 liver nodules other than benign ones (HCC, 497; cholangiocarcinoma, 11; metastases, 10; and malignant lymphoma, 1). All nodules were scored in accordance with the Liver Imaging Reporting and Data System (LI-RADS v2014), with or without consideration of ring-like enhancement in multiphasic HAP images as a major feature. In the multiphasic HAP group, 178 of 191 HCCs were scored as LR-3 to LR-5 (3 [1.69%], 85 [47.8%], and 90 [50.6%], respectively). Upon considering ring-like enhancement in multiphasic HAP images as a major feature, 5 more HCCs were scored as LR-5 (95 [53.4%]), which was a significantly more confident diagnosis than that with single HAP images (295 of 306 HCCs scored as LR-3 to LR-5: 13 [4.41%], 147 [49.8%], and 135 [45.8%], respectively; P = 0.0296). There was no significant difference in false-positive or false-negative diagnoses between the multiphasic and single HAP groups (P = 0.8400 and 0.1043, respectively). Multiphasic HAP imaging can improve the confidence of diagnosis of HCCs in gadoxetic acid-enhanced magnetic resonance imaging.

Coulombic interactions during advection-dominated transport of ions in porous media

NASA Astrophysics Data System (ADS)

Muniruzzaman, Muhammad; Stolze, Lucien; Rolle, Massimo

2017-04-01

Solute transport of charged species in porous media is significantly affected by the electrochemical migration term resulting from the charge-induced interactions among dissolved ions and with solid surfaces. Therefore, the characterization of such Coulombic interactions and their effect on multicomponent ionic transport is of critical importance for assessing the fate of charged solutes in porous media. In this work we present a detailed investigation of the electrochemical effects during conservative multicomponent ionic transport in homogeneous and heterogeneous domains by means of laboratory bench-scale experiments and numerical simulations. The investigation aims at quantifying the key role of small-scale electrostatic interactions in flow-through systems, especially when advection is the dominant mass-transfer process. Considering dilute solutions of strong electrolytes (e.g., MgCl2 and NaBr) we report results showing the important role of Coulombic interactions in the lateral displacement of the different ionic species for steady-state transport scenarios in which the solutions are continuously injected through different portions of the flow-through chamber [1, 2]. Successively, we focus our attention on transient transport and pulse injection of the electrolytes. In these experiments high-resolution spatial and temporal monitoring of the ions' concentrations (600 samples; 1800 concentration measurements), at closely spaced outlet ports (5 mm), allowed us resolving the effects of charge interactions on the temporal breakthrough and spatial profiles of the cations and anions [3]. The interpretation of the experimental results requires a multicomponent modeling approach with an accurate description of local hydrodynamic dispersion, as well as the explicit quantification of the dispersive fluxes' cross-coupling due to the Coulombic interactions between the charged species. A new 2-D simulator [4], coupling the solution of the multicomponent ionic transport problem with the geochemical code PHREEQC has been developed and used to quantitatively interpret the experimental results. References [1] Rolle M., Muniruzzaman M., Haberer C.M. and P. Grathwohl (2013). Geochim. Cosmochim. Acta 120, 195-205. [2] Muniruzzaman M., Haberer C.M., Grathwohl P. and M. Rolle (2014). Geochim. Cosmochim. Acta 141, 656-669. [3] Muniruzzaman M. and M. Rolle (2017). Water Resour. Res. (in press). [4] Muniruzzaman M. and M. Rolle (2016). Adv. Water Resour. 98, 1-15.

The Madden-Julian Oscillation in the NCAR Community Earth System Model Coupled Data Assimilation System

NASA Astrophysics Data System (ADS)

Chatterjee, A.; Anderson, J. L.; Moncrieff, M.; Collins, N.; Danabasoglu, G.; Hoar, T.; Karspeck, A. R.; Neale, R. B.; Raeder, K.; Tribbia, J. J.

2014-12-01

We present a quantitative evaluation of the simulated MJO in analyses produced with a coupled data assimilation (CDA) framework developed at the National Center for Atmosphere Research. This system is based on the Community Earth System Model (CESM; previously known as the Community Climate System Model -CCSM) interfaced to a community facility for ensemble data assimilation (Data Assimilation Research Testbed - DART). The system (multi-component CDA) assimilates data into each of the respective ocean/atmosphere/land model components during the assimilation step followed by an exchange of information between the model components during the forecast step. Note that this is an advancement over many existing prototypes of coupled data assimilation systems, which typically assimilate observations only in one of the model components (i.e., single-component CDA). The more realistic treatment of air-sea interactions and improvements to the model mean state in the multi-component CDA recover many aspects of MJO representation, from its space-time structure and propagation (see Figure 1) to the governing relationships between precipitation and sea surface temperature on intra-seasonal scales. Standard qualitative and process-based diagnostics identified by the MJO Task Force (currently under the auspices of the Working Group on Numerical Experimentation) have been used to detect the MJO signals across a suite of coupled model experiments involving both multi-component and single-component DA experiments as well as a free run of the coupled CESM model (i.e., CMIP5 style without data assimilation). Short predictability experiments during the boreal winter are used to demonstrate that the decay rates of the MJO convective anomalies are slower in the multi-component CDA system, which allows it to retain the MJO dynamics for a longer period. We anticipate that the knowledge gained through this study will enhance our understanding of the MJO feedback mechanisms across the air-sea interface, especially regarding ocean impacts on the MJO as well as highlight the capability of coupled data assimilation systems for related tropical intraseasonal variability predictions.

A numerical simulation of the water vapor bubble rising in ferrofluid by volume of fluid model in the presence of a magnetic field

NASA Astrophysics Data System (ADS)

Shafiei Dizaji, A.; Mohammadpourfard, M.; Aminfar, H.

2018-03-01

Multiphase flow is one of the most complicated problems, considering the multiplicity of the related parameters, especially the external factors influences. Thus, despite the recent developments more investigations are still required. The effect of a uniform magnetic field on the hydrodynamics behavior of a two-phase flow with different magnetic permeability is presented in this article. A single water vapor bubble which is rising inside a channel filled with ferrofluid has been simulated numerically. To capture the phases interface, the Volume of Fluid (VOF) model, and to solve the governing equations, the finite volume method has been employed. Contrary to the prior anticipations, while the consisting fluids of the flow are dielectric, uniform magnetic field causes a force acting normal to the interface toward to the inside of the bubble. With respect to the applied magnetic field direction, the bubble deformation due to the magnetic force increases the bubble rising velocity. Moreover, the higher values of applied magnetic field strength and magnetic permeability ratio resulted in the further increase of the bubble rising velocity. Also it is indicated that the flow mixing and the heat transfer rate is increased by a bubble injection and applying a magnetic field. The obtained results have been concluded that the presented phenomenon with applying a magnetic field can be used to control the related characteristics of the multiphase flows. Compared to the previous studies, implementing the applicable cases using the common and actual materials and a significant reduction of the CPU time are the most remarkable advantages of the current study.

Numerical Simulations of Multiphase Winds and Fountains from Star-forming Galactic Disks. I. Solar Neighborhood TIGRESS Model

NASA Astrophysics Data System (ADS)

Kim, Chang-Goo; Ostriker, Eve C.

2018-02-01

Gas blown away from galactic disks by supernova (SN) feedback plays a key role in galaxy evolution. We investigate outflows utilizing the solar neighborhood model of our high-resolution, local galactic disk simulation suite, TIGRESS. In our numerical implementation, star formation and SN feedback are self-consistently treated and well resolved in the multiphase, turbulent, magnetized interstellar medium. Bursts of star formation produce spatially and temporally correlated SNe that drive strong outflows, consisting of hot (T> 5× {10}5 {{K}}) winds and warm (5050 {{K}}< T< 2× {10}4 {{K}}) fountains. The hot gas at distance d> 1 {kpc} from the midplane has mass and energy fluxes nearly constant with d. The hot flow escapes our local Cartesian box barely affected by gravity, and is expected to accelerate up to terminal velocity of {v}{wind}∼ 350{--}500 {km} {{{s}}}-1. The mean mass and energy loading factors of the hot wind are 0.1 and 0.02, respectively. For warm gas, the mean outward mass flux through d=1 {kpc} is comparable to the mean star formation rate, but only a small fraction of this gas is at velocity > 50 {km} {{{s}}}-1. Thus, the warm outflows eventually fall back as inflows. The warm fountain flows are created by expanding hot superbubbles at d< 1 {kpc}; at larger d neither ram pressure acceleration nor cooling transfers significant momentum or energy flux from the hot wind to the warm outflow. The velocity distribution at launching near d∼ 1 {kpc} is a better representation of warm outflows than a single mass loading factor, potentially enabling development of subgrid models for warm galactic winds in arbitrary large-scale galactic potentials.

A Numerical Study of Factors Affecting Fracture-Fluid Cleanup and Produced Gas/Water in Marcellus Shale: Part II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seales, Maxian B.; Dilmore, Robert; Ertekin, Turgay

Horizontal wells combined with successful multi-stage hydraulic fracture treatments are currently the most established method for effectively stimulating and enabling economic development of gas bearing organic-rich shale formations. Fracture cleanup in the Stimulated Reservoir Volume (SRV) is critical to stimulation effectiveness and long-term well performance. However, fluid cleanup is often hampered by formation damage, and post-fracture well performance frequently falls below expectations. A systematic study of the factors that hinder fracture fluid cleanup in shale formations can help optimize fracture treatments and better quantify long term volumes of produced water and gas. Fracture fluid cleanup is a complex process influencedmore » by multi-phase flow through porous media (relative permeability hysteresis, capillary pressure etc.), reservoir rock and fluid properties, fracture fluid properties, proppant placement, fracture treatment parameters, and subsequent flowback and field operations. Changing SRV and fracture conductivity as production progresses further adds to the complexity of this problem. Numerical simulation is the best, and most practical approach to investigate such a complicated blend of mechanisms, parameters, their interactions, and subsequent impact on fracture fluid cleanup and well deliverability. In this paper, a 3-dimensional, 2-phase, dual-porosity model was used to investigate the impact of multiphase flow, proppant crushing, proppant diagenesis, shut-in time, reservoir rock compaction, gas slippage, and gas desorption on fracture fluid cleanup, and well performance in Marcellus shale. The research findings have shed light on the factors that substantially constrains efficient fracture fluid cleanup in gas shales, and provided guidelines for improved fracture treatment designs and water management.« less

Shock Driven Multiphase Instabilities in Scramjet Applications

NASA Astrophysics Data System (ADS)

McFarland, Jacob

2016-11-01

Shock driven multiphase instabilities (SDMI) arise in many applications from dust production in supernovae to ejecta distribution in explosions. At the limit of small, fast reacting particles the instability evolves similar to the Richtmyer-Meshkov (RM) instability. However, as additional particle effects such as lag, phase change, and collisions become significant the required parameter space becomes much larger and the instability deviates significantly from the RM instability. In scramjet engines the SDMI arises during a cold start where liquid fuel droplets are injected and processed by shock and expansion waves. In this case the particle evaporation and mixing is important to starting and sustaining combustion, but the particles are large and slow to react, creating significant multiphase effects. This talk will examine multiphase mixing in scramjet relevant conditions in 3D multiphase hydrodynamic simulations using the FLASH code from the University of Chicago FLASH center.

An efficient fully-implicit multislope MUSCL method for multiphase flow with gravity in discrete fractured media

NASA Astrophysics Data System (ADS)

Jiang, Jiamin; Younis, Rami M.

2017-06-01

The first-order methods commonly employed in reservoir simulation for computing the convective fluxes introduce excessive numerical diffusion leading to severe smoothing of displacement fronts. We present a fully-implicit cell-centered finite-volume (CCFV) framework that can achieve second-order spatial accuracy on smooth solutions, while at the same time maintain robustness and nonlinear convergence performance. A novel multislope MUSCL method is proposed to construct the required values at edge centroids in a straightforward and effective way by taking advantage of the triangular mesh geometry. In contrast to the monoslope methods in which a unique limited gradient is used, the multislope concept constructs specific scalar slopes for the interpolations on each edge of a given element. Through the edge centroids, the numerical diffusion caused by mesh skewness is reduced, and optimal second order accuracy can be achieved. Moreover, an improved smooth flux-limiter is introduced to ensure monotonicity on non-uniform meshes. The flux-limiter provides high accuracy without degrading nonlinear convergence performance. The CCFV framework is adapted to accommodate a lower-dimensional discrete fracture-matrix (DFM) model. Several numerical tests with discrete fractured system are carried out to demonstrate the efficiency and robustness of the numerical model.

Evaluation of Proteus as a Tool for the Rapid Development of Models of Hydrologic Systems

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Farthing, M. W.; Kees, C. E.; Miller, C. T.

2013-12-01

Models of modern hydrologic systems can be complex and involve a variety of operators with varying character. The goal is to implement approximations of such models that are both efficient for the developer and computationally efficient, which is a set of naturally competing objectives. Proteus is a Python-based toolbox that supports prototyping of model formulations as well as a wide variety of modern numerical methods and parallel computing. We used Proteus to develop numerical approximations for three models: Richards' equation, a brine flow model derived using the Thermodynamically Constrained Averaging Theory (TCAT), and a multiphase TCAT-based tumor growth model. For Richards' equation, we investigated discontinuous Galerkin solutions with higher order time integration based on the backward difference formulas. The TCAT brine flow model was implemented using Proteus and a variety of numerical methods were compared to hand coded solutions. Finally, an existing tumor growth model was implemented in Proteus to introduce more advanced numerics and allow the code to be run in parallel. From these three example models, Proteus was found to be an attractive open-source option for rapidly developing high quality code for solving existing and evolving computational science models.

Lattice Boltzmann modeling of transport phenomena in fuel cells and flow batteries

NASA Astrophysics Data System (ADS)

Xu, Ao; Shyy, Wei; Zhao, Tianshou

2017-06-01

Fuel cells and flow batteries are promising technologies to address climate change and air pollution problems. An understanding of the complex multiscale and multiphysics transport phenomena occurring in these electrochemical systems requires powerful numerical tools. Over the past decades, the lattice Boltzmann (LB) method has attracted broad interest in the computational fluid dynamics and the numerical heat transfer communities, primarily due to its kinetic nature making it appropriate for modeling complex multiphase transport phenomena. More importantly, the LB method fits well with parallel computing due to its locality feature, which is required for large-scale engineering applications. In this article, we review the LB method for gas-liquid two-phase flows, coupled fluid flow and mass transport in porous media, and particulate flows. Examples of applications are provided in fuel cells and flow batteries. Further developments of the LB method are also outlined.

Mathematical Modeling of Multiphase Filtration in Porous Media with a Chemically Active Skeleton

NASA Astrophysics Data System (ADS)

Khramchenkov, M. G.; Khramchenkov, É. M.

2018-01-01

The authors propose a mathematical model of two-phase filtration that occurs under the conditions of dissolution of a porous medium. The model can be used for joint description of complex chemical-hydrogeomechanical processes that are of frequent occurrence in the oil-and-gas producing and nature conservation practice. As an example, consideration is given to the acidizing of the bottom zone of the injection well of an oil reservoir. Enclosing rocks are represented by carbonates. The phases of the process are an aqueous solution of hydrochloric acid and oil. A software product for computational experiments is developed. For the numerical experiments, use is made of the data on the wells of an actual oil field. Good agreement is obtained between the field data and the calculated data. Numerical experiments with different configurations of the permeability of an oil stratum are conducted.

Regularization Reconstruction Method for Imaging Problems in Electrical Capacitance Tomography

NASA Astrophysics Data System (ADS)

Chu, Pan; Lei, Jing

2017-11-01

The electrical capacitance tomography (ECT) is deemed to be a powerful visualization measurement technique for the parametric measurement in a multiphase flow system. The inversion task in the ECT technology is an ill-posed inverse problem, and seeking for an efficient numerical method to improve the precision of the reconstruction images is important for practical measurements. By the introduction of the Tikhonov regularization (TR) methodology, in this paper a loss function that emphasizes the robustness of the estimation and the low rank property of the imaging targets is put forward to convert the solution of the inverse problem in the ECT reconstruction task into a minimization problem. Inspired by the split Bregman (SB) algorithm, an iteration scheme is developed for solving the proposed loss function. Numerical experiment results validate that the proposed inversion method not only reconstructs the fine structures of the imaging targets, but also improves the robustness.

Terascale High-Fidelity Simulations of Turbulent Combustion with Detailed Chemistry: Spray Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rutland, Christopher J.

2009-04-26

The Terascale High-Fidelity Simulations of Turbulent Combustion (TSTC) project is a multi-university collaborative effort to develop a high-fidelity turbulent reacting flow simulation capability utilizing terascale, massively parallel computer technology. The main paradigm of the approach is direct numerical simulation (DNS) featuring the highest temporal and spatial accuracy, allowing quantitative observations of the fine-scale physics found in turbulent reacting flows as well as providing a useful tool for development of sub-models needed in device-level simulations. Under this component of the TSTC program the simulation code named S3D, developed and shared with coworkers at Sandia National Laboratories, has been enhanced with newmore » numerical algorithms and physical models to provide predictive capabilities for turbulent liquid fuel spray dynamics. Major accomplishments include improved fundamental understanding of mixing and auto-ignition in multi-phase turbulent reactant mixtures and turbulent fuel injection spray jets.« less

MFIX simulation of NETL/PSRI challenge problem of circulating fluidized bed

DOE PAGES

Li, Tingwen; Dietiker, Jean-François; Shahnam, Mehrdad

2012-12-01

In this paper, numerical simulations of NETL/PSRI challenge problem of circulating fluidized bed (CFB) using the open-source code Multiphase Flow with Interphase eXchange (MFIX) are reported. Two rounds of simulation results are reported including the first-round blind test and the second-round modeling refinement. Three-dimensional high fidelity simulations are conducted to model a 12-inch diameter pilot-scale CFB riser. Detailed comparisons between numerical results and experimental data are made with respect to axial pressure gradient profile, radial profiles of solids velocity and solids mass flux along different radial directions at various elevations for operating conditions covering different fluidization regimes. Overall, the numericalmore » results show that CFD can predict the complex gas–solids flow behavior in the CFB riser reasonably well. In addition, lessons learnt from modeling this challenge problem are presented.« less

Multiphase Fluid Dynamics for Spacecraft Applications

NASA Astrophysics Data System (ADS)

Shyy, W.; Sim, J.

2011-09-01

Multiphase flows involving moving interfaces between different fluids/phases are observed in nature as well as in a wide range of engineering applications. With the recent development of high fidelity computational techniques, a number of challenging multiphase flow problems can now be computed. We introduce the basic notion of the main categories of multiphase flow computation; Lagrangian, Eulerian, and Eulerian-Lagrangian techniques to represent and follow interface, and sharp and continuous interface methods to model interfacial dynamics. The marker-based adaptive Eulerian-Lagrangian method, which is one of the most popular methods, is highlighted with microgravity and space applications including droplet collision and spacecraft liquid fuel tank surface stability.

Single and multiphase inclusions in metapelitic garnets of the Rhodope Metamorphic Province, NE Greece.

PubMed

Mposkos, Evripidis; Perraki, Maria; Palikari, Sarra

2009-08-01

Single and multiphase inclusions in garnet porphyroblasts from the diamond-bearing pelitic gneisses were studied by means of combined Raman Spectroscopy and Electron Scanning Microscopy (SEM/EDX). They are either randomly distributed or with preferred orientation within the garnet host and their dimensions vary from less than 5 up to 60 microm. In the single-phase inclusions quartz, rutile, kyanite and graphite dominate. Biotite, zircon, apatite, monazite and allanite are also common. Two types of multiphase inclusions were recognized, hydrous silicate (Type I) and silicate-carbonate (Type II) ones. The carbon-bearing multiphase inclusions predominantly consist of Mg-siderite+graphite+CO(2)+muscovite+quartz formed by a high density carboniferous fluid rich in Fe, Mg, Si and less Ca, Mn, Al and K trapped in the growing garnet in a prograde stage of metamorphism at high-pressure (HP) conditions. The carbon-free multiphase inclusions predominantly consist of biotite+quartz+rutile+/-kyanite+muscovite formed through decompression-dehydration/melting reactions of pre-existing phengite. Single and multiphase inclusions are characterized by polygonal to negative crystal shape formed by dissolution-reprecipitation mechanism between the garnet host and the inclusions during the long lasting cooling period (>100 Ma) of the Kimi Complex.

Smoothed Particle Hydrodynamics: A consistent model for interfacial multiphase fluid flow simulations

NASA Astrophysics Data System (ADS)

Krimi, Abdelkader; Rezoug, Mehdi; Khelladi, Sofiane; Nogueira, Xesús; Deligant, Michael; Ramírez, Luis

2018-04-01

In this work, a consistent Smoothed Particle Hydrodynamics (SPH) model to deal with interfacial multiphase fluid flows simulation is proposed. A modification to the Continuum Stress Surface formulation (CSS) [1] to enhance the stability near the fluid interface is developed in the framework of the SPH method. A non-conservative first-order consistency operator is used to compute the divergence of stress surface tensor. This formulation benefits of all the advantages of the one proposed by Adami et al. [2] and, in addition, it can be applied to more than two phases fluid flow simulations. Moreover, the generalized wall boundary conditions [3] are modified in order to be well adapted to multiphase fluid flows with different density and viscosity. In order to allow the application of this technique to wall-bounded multiphase flows, a modification of generalized wall boundary conditions is presented here for using the SPH method. In this work we also present a particle redistribution strategy as an extension of the damping technique presented in [3] to smooth the initial transient phase of gravitational multiphase fluid flow simulations. Several computational tests are investigated to show the accuracy, convergence and applicability of the proposed SPH interfacial multiphase model.

PREFACE: The 6th International Symposium on Measurement Techniques for Multiphase Flows

NASA Astrophysics Data System (ADS)

Okamoto, Koji; Murai, Yuichi

2009-02-01

Research on multi-phase flows is very important for industrial applications, including power stations, vehicles, engines, food processing, and so on. Also, from the environmental viewpoint, multi-phase flows need to be investigated to overcome global warming. Multi-phase flows originally have non-linear features because they are multi-phased. The interaction between the phases plays a very interesting role in the flows. The non-linear interaction causes the multi-phase flows to be very difficult to understand phenomena. The International Symposium on Measurement Techniques for Multi-phase Flows (ISMTMF) is a unique symposium. The target of the symposium is to exchange the state-of-the-art knowledge on the measurement techniques for non-linear multi-phase flows. Measurement technique is the key technology to understanding non-linear phenomena. The ISMTMF began in 1995 in Nanjing, China. The symposium has continuously been held every two or three years. The ISMTMF-2008 was held in Okinawa, Japan as the 6th symposium of ISMTMF on 15-17 December 2008. Okinawa has a long history as the Ryukyus Kingdom. China and Japan have had cultural and economic exchanges through Okinawa for more than 1000 years. Please enjoy Okinawa and experience its history to enhance our international communication. The present symposium was attended by 124 participants, the program included 107 contributions with 5 plenary lectures, 2 keynote lectures, and 100 oral regular paper presentations. The topics include, besides the ordinary measurement techniques for multiphase flows, acoustic and electric sensors, bubbles and microbubbles, computed tomography, gas-liquid interface, laser-imaging and PIV, oil/coal/drop and spray, solid and powder, spectral and multi-physics. This volume includes the presented papers at ISMTMF-2008. In addition to this volume, ten selected papers will be published in a special issue of Measurement Science and Technology. We would like to express special thanks to all the participants and the contributors to the symposium, and also to the supporting organizations; The Japanese Society for Multiphase Flow, The Chinese Society for Measurement, National Natural Science Foundation of China, The Chinese Academy of Science, and University of the Ryukyus, Okinawa, Japan. Koji Okamoto Chair of 6th ISMTMF and proceedings editor The University of Tokyo, Japan Yuichi Murai Proceedings co-editor Hokkaido University, Japan

Rogue waves in the multicomponent Mel'nikov system and multicomponent Schrödinger-Boussinesq system

NASA Astrophysics Data System (ADS)

Sun, Baonan; Lian, Zhan

2018-02-01

By virtue of the bilinear method and the KP hierarchy reduction technique, exact explicit rational solutions of the multicomponent Mel'nikov equation and the multicomponent Schrödinger-Boussinesq equation are constructed, which contain multicomponent short waves and single-component long wave. For the multicomponent Mel'nikov equation, the fundamental rational solutions possess two different behaviours: lump and rogue wave. It is shown that the fundamental (simplest) rogue waves are line localised waves which arise from the constant background with a line profile and then disappear into the constant background again. The fundamental line rogue waves can be classified into three: bright, intermediate and dark line rogue waves. Two subclasses of non-fundamental rogue waves, i.e., multirogue waves and higher-order rogue waves are discussed. The multirogue waves describe interaction of several fundamental line rogue waves, in which interesting wave patterns appear in the intermediate time. Higher-order rogue waves exhibit dynamic behaviours that the wave structures start from lump and then retreat back to it. Moreover, by taking the parameter constraints further, general higher-order rogue wave solutions for the multicomponent Schrödinger-Boussinesq system are generated.

A novel anti-frictional multiphase layer produced by plasma nitriding of PVD titanium coated ZL205A aluminum alloy

NASA Astrophysics Data System (ADS)

Lu, C.; Yao, J. W.; Wang, Y. X.; Zhu, Y. D.; Guo, J. H.; Wang, Y.; Fu, H. Y.; Chen, Z. B.; Yan, M. F.

2018-02-01

The heat treatment (consisting of solid solution and aging), is integrated with the nitriding process of titanium coated ZL205A aluminum alloy to improve the surface and matrix mechanical properties simultaneously. Two-step duplex treatment is adopted to prepare the gradient multiphase layer on a magnesium-free ZL205A aluminum-copper based alloy. Firstly, pure titanium film is deposited on the aluminum alloy substrate using magnetron sputtering. Secondly, the Ti-coated specimen is nitrided at the solid solution temperature of the substrate alloying elements in a gas mixture of N2 and H2 and aged at 175 °C. The microstructure evolution, microhardness as well as the wear resistance of obtained multiphase layers are investigated by means of scanning electron microscopy (SEM) equipped with energy dispersive X-ray spectrometer (EDS), microhardness tester and pin-on-disc tribometer. The multiphase layer, dominated by TiN0.3 or Al3Ti, is prepared with significantly increased layer depth after duplex treatment. The surface hardness of multiphase layer is remarkably improved from 23.7HV to 457HV. The core matrix hardness is also increased to 65HV after aging. The wear rate of the multiphase layer decreases about 55.22% and 49.28% in comparison with the aged and Ti coated specimens, respectively. The predominant wear mechanism for the multiphase layer is abrasive and oxidation, but severe adhesive wear for the aged and Ti coated specimens.

Enforcing realizability in explicit multi-component species transport

PubMed Central

McDermott, Randall J.; Floyd, Jason E.

2015-01-01

We propose a strategy to guarantee realizability of species mass fractions in explicit time integration of the partial differential equations governing fire dynamics, which is a multi-component transport problem (realizability requires all mass fractions are greater than or equal to zero and that the sum equals unity). For a mixture of n species, the conventional strategy is to solve for n − 1 species mass fractions and to obtain the nth (or “background”) species mass fraction from one minus the sum of the others. The numerical difficulties inherent in the background species approach are discussed and the potential for realizability violations is illustrated. The new strategy solves all n species transport equations and obtains density from the sum of the species mass densities. To guarantee realizability the species mass densities must remain positive (semidefinite). A scalar boundedness correction is proposed that is based on a minimal diffusion operator. The overall scheme is implemented in a publicly available large-eddy simulation code called the Fire Dynamics Simulator. A set of test cases is presented to verify that the new strategy enforces realizability, does not generate spurious mass, and maintains second-order accuracy for transport. PMID:26692634