A higher-order finite element reactive transport model for unstructured and fractured grids

Moortgat, Joachim; Li, Mengnan; Amooie, Mohammad Amin; Zhu, Di

doi:10.1038/s41598-020-72354-3

Title: A higher-order finite element reactive transport model for unstructured and fractured grids

Abstract

Abstract This work presents a new reactive transport framework that combines a powerful geochemistry engine with advanced numerical methods for flow and transport in subsurface fractured porous media. Specifically, the PhreeqcRM interface (developed by the USGS) is used to take advantage of a large library of equilibrium and kinetic aqueous and fluid-rock reactions, which has been validated by numerous experiments and benchmark studies. Fluid flow is modeled by the Mixed Hybrid Finite Element (FE) method, which provides smooth velocity fields even in highly heterogenous formations with discrete fractures. A multilinear Discontinuous Galerkin FE method is used to solve the multicomponent transport problem. This method is locally mass conserving and its second order convergence significantly reduces numerical dispersion. In terms of thermodynamics, the aqueous phase is considered as a compressible fluid and its properties are derived from a Cubic Plus Association (CPA) equation of state. The new simulator is validated against several benchmark problems (involving, e.g., Fickian and Nernst-Planck diffusion, isotope fractionation, advection-dispersion transport, and rock-fluid reactions) before demonstrating the expanded capabilities offered by the underlying FE foundation, such as high computational efficiency, parallelizability, low numerical dispersion, unstructured 3D gridding, and discrete fraction modeling.

Authors:: Moortgat, Joachim; Li, Mengnan; Amooie, Mohammad Amin; Zhu, Di

Publication Date:: Wed Sep 23 00:00:00 EDT 2020

Research Org.:: The Ohio State Univ., Columbus, OH (United States)

Sponsoring Org.:: USDOE; USDOE Office of Fossil Energy (FE)

OSTI Identifier:: 1664561

Alternate Identifier(s):: OSTI ID: 1816368

Grant/Contract Number:: FEAA-045; AC05-00OR22725

Resource Type:: Published Article

Journal Name:: Scientific Reports

Additional Journal Information:: Journal Name: Scientific Reports Journal Volume: 10 Journal Issue: 1; Journal ID: ISSN 2045-2322

Publisher:: Nature Publishing Group

Country of Publication:: United Kingdom

Language:: English

Subject:: 58 GEOSCIENCES

Citation Formats


                    Moortgat, Joachim, Li, Mengnan, Amooie, Mohammad Amin, and Zhu, Di. A higher-order finite element reactive transport model for unstructured and fractured grids.  United Kingdom: N. p., 2020. 
Web.  doi:10.1038/s41598-020-72354-3.

Copy to clipboard


                    Moortgat, Joachim, Li, Mengnan, Amooie, Mohammad Amin, & Zhu, Di. A higher-order finite element reactive transport model for unstructured and fractured grids.  United Kingdom.  https://doi.org/10.1038/s41598-020-72354-3

Copy to clipboard


                    Moortgat, Joachim, Li, Mengnan, Amooie, Mohammad Amin, and Zhu, Di. Wed .  
"A higher-order finite element reactive transport model for unstructured and fractured grids".  United Kingdom.  https://doi.org/10.1038/s41598-020-72354-3.

Copy to clipboard


                    
@article{osti_1664561,

  title        = {A higher-order finite element reactive transport model for unstructured and fractured grids},

  author       = {Moortgat, Joachim and Li, Mengnan and Amooie, Mohammad Amin and Zhu, Di},

  abstractNote = {Abstract This work presents a new reactive transport framework that combines a powerful geochemistry engine with advanced numerical methods for flow and transport in subsurface fractured porous media. Specifically, the PhreeqcRM interface (developed by the USGS) is used to take advantage of a large library of equilibrium and kinetic aqueous and fluid-rock reactions, which has been validated by numerous experiments and benchmark studies. Fluid flow is modeled by the Mixed Hybrid Finite Element (FE) method, which provides smooth velocity fields even in highly heterogenous formations with discrete fractures. A multilinear Discontinuous Galerkin FE method is used to solve the multicomponent transport problem. This method is locally mass conserving and its second order convergence significantly reduces numerical dispersion. In terms of thermodynamics, the aqueous phase is considered as a compressible fluid and its properties are derived from a Cubic Plus Association (CPA) equation of state. The new simulator is validated against several benchmark problems (involving, e.g., Fickian and Nernst-Planck diffusion, isotope fractionation, advection-dispersion transport, and rock-fluid reactions) before demonstrating the expanded capabilities offered by the underlying FE foundation, such as high computational efficiency, parallelizability, low numerical dispersion, unstructured 3D gridding, and discrete fraction modeling.},

  doi          = {10.1038/s41598-020-72354-3},

  journal      = {Scientific Reports},

  number       = 1,

  volume       = 10,

  place        = {United Kingdom},

  year         = {Wed Sep 23 00:00:00 EDT 2020},

  month        = {Wed Sep 23 00:00:00 EDT 2020}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Publisher's Version of Record
https://doi.org/10.1038/s41598-020-72354-3

Other availability

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

A new kinetic approach to modeling water-rock interaction: The role of nucleation, precursors, and Ostwald ripening
journal, October 1990

Steefel, Carl I.; Van Cappellen, Philippe
Geochimica et Cosmochimica Acta, Vol. 54, Issue 10
DOI: 10.1016/0016-7037(90)90003-4

Mixed-hybrid and vertex-discontinuous-Galerkin finite element modeling of multiphase compositional flow on 3D unstructured grids
journal, June 2016

Moortgat, Joachim; Firoozabadi, Abbas
Journal of Computational Physics, Vol. 315
DOI: 10.1016/j.jcp.2016.03.054

Role of active clays on alkaline–surfactant–polymer formulation performance in sandstone formations
journal, February 2013

Kazempour, Mahdi; Manrique, Eduardo J.; Alvarado, Vladimir
Fuel, Vol. 104
DOI: 10.1016/j.fuel.2012.04.034

Multicomponent fluid flow by discontinuous Galerkin and mixed methods in unfractured and fractured media: MULTICOMPONENT FLUID FLOW IN FRACTURED MEDIA
journal, November 2005

Hoteit, H.; Firoozabadi, A.
Water Resources Research, Vol. 41, Issue 11
DOI: 10.1029/2005WR004339

Superconvergence of the Velocity Along the Gauss Lines in Mixed Finite Element Methods
journal, August 1991

Ewing, R. E.; Lazarov, R. D.; Wang, J.
SIAM Journal on Numerical Analysis, Vol. 28, Issue 4
DOI: 10.1137/0728054

Cubic-plus-association equation of state for water-containing mixtures: Is “cross association” necessary?
journal, July 2009

Li, Zhidong; Firoozabadi, Abbas
AIChE Journal, Vol. 55, Issue 7
DOI: 10.1002/aic.11784

Nernst-Planck-based Description of Transport, Coulombic Interactions, and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments
journal, April 2018

Rolle, Massimo; Sprocati, Riccardo; Masi, Matteo
Water Resources Research, Vol. 54, Issue 4
DOI: 10.1002/2017WR022344

A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with application to reactive flow in single phase hydrothermal systems
journal, May 1994

Steefel, C. I.; Lasaga, A. C.
American Journal of Science, Vol. 294, Issue 5
DOI: 10.2475/ajs.294.5.529

OpenGeoSys: an open-source initiative for numerical simulation of thermo-hydro-mechanical/chemical (THM/C) processes in porous media
journal, February 2012

Kolditz, O.; Bauer, S.; Bilke, L.
Environmental Earth Sciences, Vol. 67, Issue 2
DOI: 10.1007/s12665-012-1546-x

New Three-Phase Multicomponent Compositional Model for Asphaltene Precipitation during CO ₂ Injection Using CPA-EOS
journal, March 2016

Nasrabadi, Hadi; Moortgat, Joachim; Firoozabadi, Abbas
Energy & Fuels, Vol. 30, Issue 4
DOI: 10.1021/acs.energyfuels.5b02944

An experimental study of three component gas diffusion
journal, March 1962

Duncan, J. B.; Toor, H. L.
AIChE Journal, Vol. 8, Issue 1
DOI: 10.1002/aic.690080112

Implicit finite volume and discontinuous Galerkin methods for multicomponent flow in unstructured 3D fractured porous media
journal, October 2016

Moortgat, Joachim; Amooie, Mohammad Amin; Soltanian, Mohamad Reza
Advances in Water Resources, Vol. 96
DOI: 10.1016/j.advwatres.2016.08.007

TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions
journal, June 2011

Xu, Tianfu; Spycher, Nicolas; Sonnenthal, Eric
Computers & Geosciences, Vol. 37, Issue 6
DOI: 10.1016/j.cageo.2010.10.007

Principles and Practice of Reactive Transport Modeling
journal, January 1994

Lichtner, Peter C.
MRS Proceedings, Vol. 353
DOI: 10.1557/PROC-353-117

Multicomponent reactive transport modeling in variably saturated porous media using a generalized formulation for kinetically controlled reactions: REACTIVE TRANSPORT MODELING IN VARIABLY SATURATED MEDIA
journal, September 2002

Mayer, K. Ulrich; Frind, Emil O.; Blowes, David W.
Water Resources Research, Vol. 38, Issue 9
DOI: 10.1029/2001WR000862

Modules based on the geochemical model PHREEQC for use in scripting and programming languages
journal, October 2011

Charlton, Scott R.; Parkhurst, David L.
Computers & Geosciences, Vol. 37, Issue 10
DOI: 10.1016/j.cageo.2011.02.005

Numerical modeling of two-phase flow in heterogeneous permeable media with different capillarity pressures
journal, January 2008

Hoteit, Hussein; Firoozabadi, Abbas
Advances in Water Resources, Vol. 31, Issue 1
DOI: 10.1016/j.advwatres.2007.06.006

A unified physical presentation of mixed, mixed-hybrid finite elements and standard finite difference approximations for the determination of velocities in waterflow problems
journal, December 1991

Chavent, G.; Roberts, J. E.
Advances in Water Resources, Vol. 14, Issue 6
DOI: 10.1016/0309-1708(91)90020-O

Description of input and examples for PHREEQC version 3: a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations
report, January 2013

Parkhurst, David L.; Appelo, C. A. J.
DOI: 10.3133/tm6A43

A Compositional Formulation of the Pressure and Saturation Equations
journal, May 1986

Watts, J. W.
SPE Reservoir Engineering, Vol. 1, Issue 03
DOI: 10.2118/12244-PA

Benchmarks for multicomponent diffusion and electrochemical migration
journal, May 2015

Rasouli, Pejman; Steefel, Carl I.; Mayer, K. Ulrich
Computational Geosciences, Vol. 19, Issue 3
DOI: 10.1007/s10596-015-9481-z

A New Approach to Compositional Modeling of CO2 Injection in Fractured Media Compared to Experimental Data
conference, April 2013

Moortgat, Joachim; Firoozabadi, Abbas; Farshi, Mohammad Moravvej
SPE Annual Technical Conference and Exhibition
DOI: 10.2118/124918-MS

Fickian Diffusion in Discrete-Fractured Media from Chemical Potential Gradients and Comparison to Experiment
journal, September 2013

Moortgat, Joachim; Firoozabadi, Abbas
Energy & Fuels, Vol. 27, Issue 10
DOI: 10.1021/ef401141q

High-resolution finite element methods for 3D simulation of compositionally triggered instabilities in porous media
journal, May 2015

Shahraeeni, Ebrahim; Moortgat, Joachim; Firoozabadi, Abbas
Computational Geosciences, Vol. 19, Issue 4
DOI: 10.1007/s10596-015-9501-z

Reactive transport codes for subsurface environmental simulation
journal, September 2014

Steefel, C. I.; Appelo, C. A. J.; Arora, B.
Computational Geosciences, Vol. 19, Issue 3
DOI: 10.1007/s10596-014-9443-x

Modeling diffusion and gas–oil mass transfer in fractured reservoirs
journal, May 2013

Hoteit, Hussein
Journal of Petroleum Science and Engineering, Vol. 105
DOI: 10.1016/j.petrol.2013.03.007

Three-phase compositional modeling of CO ₂ injection by higher-order finite element methods with CPA equation of state for aqueous phase : THREE-PHASE MODELING WITH CPA EOS
journal, December 2012

Moortgat, Joachim; Li, Zhidong; Firoozabadi, Abbas
Water Resources Research, Vol. 48, Issue 12
DOI: 10.1029/2011WR011736

Numerical Modeling of Diffusion in Fractured Media for Gas-Injection and -Recycling Schemes
journal, June 2009

Hoteit, Hussein; Firoozabadi, Abbas
SPE Journal, Vol. 14, Issue 02
DOI: 10.2118/103292-PA

Water Coning, Water, and CO₂ Injection in Heavy-Oil Fractured Reservoirs
journal, February 2017

Moortgat, Joachim; Firoozabadi, Abbas
SPE Reservoir Evaluation & Engineering, Vol. 20, Issue 01
DOI: 10.2118/183648-PA

A New Two-Constant Equation of State
journal, February 1976

Peng, Ding-Yu; Robinson, Donald B.
Industrial & Engineering Chemistry Fundamentals, Vol. 15, Issue 1
DOI: 10.1021/i160057a011

PFLOTRAN User Manual: A Massively Parallel Reactive Flow and Transport Model for Describing Surface and Subsurface Processes
report, January 2015

Lichtner, Peter; Hammond, Glenn; Lu, Chuan
DOI: 10.2172/1168703

Cation and proton exchange, p H variations, and carbonate reactions in a freshening aquifer
journal, October 1994

Appelo, C. A. J.
Water Resources Research, Vol. 30, Issue 10
DOI: 10.1029/94WR01048

Three-Phase Compositional Modeling with Capillarity in Heterogeneous and Fractured Media
journal, August 2013

Moortgat, Joachim B.; Firoozabadi, Abbas
SPE Journal, Vol. 18, Issue 06
DOI: 10.2118/159777-PA

Impacts of Methane on Carbon Dioxide Storage in Brine Formations
journal, January 2018

Soltanian, Mohamad R.; Amooie, Mohammad A.; Cole, David R.
Groundwater, Vol. 56, Issue 2
DOI: 10.1111/gwat.12633

Reactive transport benchmarks for subsurface environmental simulation
journal, June 2015

Steefel, Carl I.; Yabusaki, Steven B.; Mayer, K. Ulrich
Computational Geosciences, Vol. 19, Issue 3
DOI: 10.1007/s10596-015-9499-2

Higher-order compositional modeling of three-phase flow in 3D fractured porous media based on cross-flow equilibrium
journal, October 2013

Moortgat, Joachim; Firoozabadi, Abbas
Journal of Computational Physics, Vol. 250
DOI: 10.1016/j.jcp.2013.05.009

ORCHESTRA: An Object-Oriented Framework for Implementing Chemical Equilibrium Models
journal, March 2003

Meeussen, Johannes C. L.
Environmental Science & Technology, Vol. 37, Issue 6
DOI: 10.1021/es025597s

Adaptive implicit finite element methods for multicomponent compressible flow in heterogeneous and fractured porous media: AIM FOR HETEROGENEOUS FRACTURED MEDIA
journal, January 2017

Moortgat, Joachim
Water Resources Research, Vol. 53, Issue 1
DOI: 10.1002/2016WR019644

Continuum model for simultaneous chemical reactions and mass transport in hydrothermal systems
journal, March 1985

Lichtner, Peter C.
Geochimica et Cosmochimica Acta, Vol. 49, Issue 3
DOI: 10.1016/0016-7037(85)90172-3

Coupling IPhreeqc with UTCHEM to model reactive flow and transport
journal, September 2015

Kazemi Nia Korrani, Aboulghasem; Sepehrnoori, Kamy; Delshad, Mojdeh
Computers & Geosciences, Vol. 82
DOI: 10.1016/j.cageo.2015.06.004

Modeling multiphase non-isothermal fluid flow and reactive geochemical transport in variably saturated fractured rocks: 1. Methodology
journal, January 2001

Xu, T.
American Journal of Science, Vol. 301, Issue 1
DOI: 10.2475/ajs.301.1.16

Unified model for nonideal multicomponent molecular diffusion coefficients
journal, November 2007

Leahy-Dios, Alana; Firoozabadi, Abbas
AIChE Journal, Vol. 53, Issue 11
DOI: 10.1002/aic.11279

STOMP Subsurface Transport Over Multiple Phases, Version 4.0, User?s Guide
report, June 2006

White, Mark D.; Oostrom, Martinus
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
DOI: 10.2172/1012530

PHT3D: A Reactive Multicomponent Transport Model for Saturated Porous Media
journal, July 2010

Appelo, C. A. J.; Rolle, Massimo
Ground Water, Vol. 48, Issue 5
DOI: 10.1111/j.1745-6584.2010.00732.x

�ber die partiellen Differenzengleichungen der mathematischen Physik
journal, December 1928

Courant, R.; Friedrichs, K.; Lewy, H.
Mathematische Annalen, Vol. 100, Issue 1
DOI: 10.1007/BF01448839

Modeling Multicomponent Diffusion and Convection in Porous Media
journal, June 2000

Ghorayeb, Kassem; Firoozabadi, Abbas
SPE Journal, Vol. 5, Issue 02
DOI: 10.2118/62168-PA

Reservoir simulation with the cubic plus (cross-) association equation of state for water, CO2, hydrocarbons, and tracers
journal, April 2018

Moortgat, Joachim
Advances in Water Resources, Vol. 114
DOI: 10.1016/j.advwatres.2018.02.004

Similar Records in DOE PAGES and OSTI.GOV collections:

Transport of conservative solutes in simulated fracture networks: 1. Synthetic data generation

Journal Article Reeves, Donald M. ; Benson, David A. ; Meerschaert, Mark M. - Water Resources Research

This paper investigates whether particle ensembles in a fractured rock domain may be adequately modeled as an operator‐stable plume. If this statistical model applies to transport in fractured media, then an ensemble plume in a fractured rock domain may be modeled using the novel Fokker‐Planck evolution equation of the operator‐stable plume. These plumes (which include the classical multi‐Gaussian as a subset) are typically characterized by power law leading‐edge concentration profiles and super‐Fickian growth rates. To investigate the possible correspondence of ensemble plumes to operator‐stable densities, we use numerical simulations of fluid flow and solute transport through large‐scale (2.5 km bymore »« less
https://doi.org/10.1029/2007wr006069
Inert and Adsorptive Tracer Tests for Field Measurement of Flow-Wetted Surface Area

Journal Article Hawkins, Adam J. ; Becker, Matthew W. ; Tester, Jefferson W. - Water Resources Research

Abstract Field tests in a discrete rock fracture validated a combined inert/adsorbing tracer test method to estimate the contact area between fluids circulating through a fracture and the bulk rock matrix (i.e., flow‐wetted surface area, A). Tracer tests and heat injections occurred at a mesoscale well field in Altona, NY. A subhorizontal bedding plane fracture ∼7.6 m below ground surface connects two wells separated by 14.1 m. Recovery of the adsorbing tracer cesium was roughly 72% less than the inert tracer iodide. Using an advection‐dispersion‐reaction model in one‐dimension, the adsorbing/inert tracer method identified substantial flow channelization. These results are consistentmore »« less
Cited by 18
https://doi.org/10.1029/2017wr021910

Full Text Available
Stress-Induced Anomalous Transport in Natural Fracture Networks

Journal Article Kang, Peter K. ; Lei, Qinghua ; Dentz, Marco ; ... - Water Resources Research

In this work we investigate the effects of geological stress on fluid flow and tracer transport in natural fracture networks. We show the emergence of non-Fickian (anomalous) transport from the interplay among fracture network geometry, aperture heterogeneity, and geological stress. In this study, we extract the fracture network geometry from the geological map of an actual rock outcrop, and we simulate the geomechanical behavior of fractured rock using a hybrid finite-discrete element method. We analyze the impact of stress on the aperture distribution, fluid flow field, and tracer transport properties. Both stress magnitude and orientation have strong effects on themore »« less
Cited by 35
https://doi.org/10.1029/2019wr024944

Full Text Available
Dual permeability modeling of solute transport in discrete fracture systems

Conference Miller, J D ; Clemo, T M

A numerical study has been made of flow and transport in a small two-dimensional model of a porous matrix with a superimposed discrete fracture system. The purpose of the study was to determine characteristics for use in a larger scale model. A dual permeability approach was used, in which flow was computed in each of the two media. Solute transport was simulated by moving marker particles in and between the two media under the influence of advective, dispersive and diffusive processes. This type of simulation is limited to a sub-reservoir scale by the assumptions of Darcian flow and Fickian transportmore »« less
Modeling of ground water aquifer remediation by pulsed pumping when contaminant transport is affected by physical, non-equilibrium sorption and desorption. Master's thesis

Technical Report Caspers, J L

This research postulates and demonstrates incorporating rate-limited sorption effects in the USGS SUTRA code for cleanup of a hypothetical sandy aquifer by pump-and-treat remediation methods. Contaminant transport is assumed to be affected by advection, dispersion, and rate-limited sorption/desorption. Sorption is assumed to be either equilibrium or rate-limited, with the rate-limitation described by either a first-order law, or by Fickian diffusion of contaminant through a spherical immobile pore region. Solutions are arrived at by split operator methods for the transport and one-dimensional Galerkin solutions for the solute concentration equations. The resulting model is tested against an analytical Laplace transform model formore »« less

Similar Records

Title: A higher-order finite element reactive transport model for unstructured and fractured grids

Abstract

Citation Formats

A new kinetic approach to modeling water-rock interaction: The role of nucleation, precursors, and Ostwald ripening journal, October 1990

Mixed-hybrid and vertex-discontinuous-Galerkin finite element modeling of multiphase compositional flow on 3D unstructured grids journal, June 2016

Role of active clays on alkaline–surfactant–polymer formulation performance in sandstone formations journal, February 2013

Multicomponent fluid flow by discontinuous Galerkin and mixed methods in unfractured and fractured media: MULTICOMPONENT FLUID FLOW IN FRACTURED MEDIA journal, November 2005

Superconvergence of the Velocity Along the Gauss Lines in Mixed Finite Element Methods journal, August 1991

Cubic-plus-association equation of state for water-containing mixtures: Is “cross association” necessary? journal, July 2009

Nernst-Planck-based Description of Transport, Coulombic Interactions, and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments journal, April 2018

A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with application to reactive flow in single phase hydrothermal systems journal, May 1994

OpenGeoSys: an open-source initiative for numerical simulation of thermo-hydro-mechanical/chemical (THM/C) processes in porous media journal, February 2012

New Three-Phase Multicomponent Compositional Model for Asphaltene Precipitation during CO 2 Injection Using CPA-EOS journal, March 2016

An experimental study of three component gas diffusion journal, March 1962

Implicit finite volume and discontinuous Galerkin methods for multicomponent flow in unstructured 3D fractured porous media journal, October 2016

TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions journal, June 2011

Principles and Practice of Reactive Transport Modeling journal, January 1994

Multicomponent reactive transport modeling in variably saturated porous media using a generalized formulation for kinetically controlled reactions: REACTIVE TRANSPORT MODELING IN VARIABLY SATURATED MEDIA journal, September 2002

Modules based on the geochemical model PHREEQC for use in scripting and programming languages journal, October 2011

Numerical modeling of two-phase flow in heterogeneous permeable media with different capillarity pressures journal, January 2008

A unified physical presentation of mixed, mixed-hybrid finite elements and standard finite difference approximations for the determination of velocities in waterflow problems journal, December 1991

Description of input and examples for PHREEQC version 3: a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations report, January 2013

A Compositional Formulation of the Pressure and Saturation Equations journal, May 1986

Benchmarks for multicomponent diffusion and electrochemical migration journal, May 2015

A New Approach to Compositional Modeling of CO2 Injection in Fractured Media Compared to Experimental Data conference, April 2013

Fickian Diffusion in Discrete-Fractured Media from Chemical Potential Gradients and Comparison to Experiment journal, September 2013

High-resolution finite element methods for 3D simulation of compositionally triggered instabilities in porous media journal, May 2015

Reactive transport codes for subsurface environmental simulation journal, September 2014

Modeling diffusion and gas–oil mass transfer in fractured reservoirs journal, May 2013

Three-phase compositional modeling of CO 2 injection by higher-order finite element methods with CPA equation of state for aqueous phase : THREE-PHASE MODELING WITH CPA EOS journal, December 2012

Numerical Modeling of Diffusion in Fractured Media for Gas-Injection and -Recycling Schemes journal, June 2009

Water Coning, Water, and CO2 Injection in Heavy-Oil Fractured Reservoirs journal, February 2017

A New Two-Constant Equation of State journal, February 1976

PFLOTRAN User Manual: A Massively Parallel Reactive Flow and Transport Model for Describing Surface and Subsurface Processes report, January 2015

Cation and proton exchange, p H variations, and carbonate reactions in a freshening aquifer journal, October 1994

Three-Phase Compositional Modeling with Capillarity in Heterogeneous and Fractured Media journal, August 2013

Impacts of Methane on Carbon Dioxide Storage in Brine Formations journal, January 2018

Reactive transport benchmarks for subsurface environmental simulation journal, June 2015

Higher-order compositional modeling of three-phase flow in 3D fractured porous media based on cross-flow equilibrium journal, October 2013

ORCHESTRA: An Object-Oriented Framework for Implementing Chemical Equilibrium Models journal, March 2003

Adaptive implicit finite element methods for multicomponent compressible flow in heterogeneous and fractured porous media: AIM FOR HETEROGENEOUS FRACTURED MEDIA journal, January 2017

Continuum model for simultaneous chemical reactions and mass transport in hydrothermal systems journal, March 1985

Coupling IPhreeqc with UTCHEM to model reactive flow and transport journal, September 2015

Modeling multiphase non-isothermal fluid flow and reactive geochemical transport in variably saturated fractured rocks: 1. Methodology journal, January 2001

Unified model for nonideal multicomponent molecular diffusion coefficients journal, November 2007

STOMP Subsurface Transport Over Multiple Phases, Version 4.0, User?s Guide report, June 2006

PHT3D: A Reactive Multicomponent Transport Model for Saturated Porous Media journal, July 2010

�ber die partiellen Differenzengleichungen der mathematischen Physik journal, December 1928

Modeling Multicomponent Diffusion and Convection in Porous Media journal, June 2000

Reservoir simulation with the cubic plus (cross-) association equation of state for water, CO2, hydrocarbons, and tracers journal, April 2018

A new kinetic approach to modeling water-rock interaction: The role of nucleation, precursors, and Ostwald ripening
journal, October 1990

Mixed-hybrid and vertex-discontinuous-Galerkin finite element modeling of multiphase compositional flow on 3D unstructured grids
journal, June 2016

Role of active clays on alkaline–surfactant–polymer formulation performance in sandstone formations
journal, February 2013

Multicomponent fluid flow by discontinuous Galerkin and mixed methods in unfractured and fractured media: MULTICOMPONENT FLUID FLOW IN FRACTURED MEDIA
journal, November 2005

Superconvergence of the Velocity Along the Gauss Lines in Mixed Finite Element Methods
journal, August 1991

Cubic-plus-association equation of state for water-containing mixtures: Is “cross association” necessary?
journal, July 2009

Nernst-Planck-based Description of Transport, Coulombic Interactions, and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments
journal, April 2018

A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with application to reactive flow in single phase hydrothermal systems
journal, May 1994

OpenGeoSys: an open-source initiative for numerical simulation of thermo-hydro-mechanical/chemical (THM/C) processes in porous media
journal, February 2012

New Three-Phase Multicomponent Compositional Model for Asphaltene Precipitation during CO ₂ Injection Using CPA-EOS
journal, March 2016

An experimental study of three component gas diffusion
journal, March 1962

Implicit finite volume and discontinuous Galerkin methods for multicomponent flow in unstructured 3D fractured porous media
journal, October 2016

TOUGHREACT Version 2.0: A simulator for subsurface reactive transport under non-isothermal multiphase flow conditions
journal, June 2011

Principles and Practice of Reactive Transport Modeling
journal, January 1994

Multicomponent reactive transport modeling in variably saturated porous media using a generalized formulation for kinetically controlled reactions: REACTIVE TRANSPORT MODELING IN VARIABLY SATURATED MEDIA
journal, September 2002

Modules based on the geochemical model PHREEQC for use in scripting and programming languages
journal, October 2011

Numerical modeling of two-phase flow in heterogeneous permeable media with different capillarity pressures
journal, January 2008

A unified physical presentation of mixed, mixed-hybrid finite elements and standard finite difference approximations for the determination of velocities in waterflow problems
journal, December 1991

Description of input and examples for PHREEQC version 3: a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations
report, January 2013

A Compositional Formulation of the Pressure and Saturation Equations
journal, May 1986

Benchmarks for multicomponent diffusion and electrochemical migration
journal, May 2015

A New Approach to Compositional Modeling of CO2 Injection in Fractured Media Compared to Experimental Data
conference, April 2013

Fickian Diffusion in Discrete-Fractured Media from Chemical Potential Gradients and Comparison to Experiment
journal, September 2013

High-resolution finite element methods for 3D simulation of compositionally triggered instabilities in porous media
journal, May 2015

Reactive transport codes for subsurface environmental simulation
journal, September 2014

Modeling diffusion and gas–oil mass transfer in fractured reservoirs
journal, May 2013

Three-phase compositional modeling of CO ₂ injection by higher-order finite element methods with CPA equation of state for aqueous phase : THREE-PHASE MODELING WITH CPA EOS
journal, December 2012

Numerical Modeling of Diffusion in Fractured Media for Gas-Injection and -Recycling Schemes
journal, June 2009

Water Coning, Water, and CO₂ Injection in Heavy-Oil Fractured Reservoirs
journal, February 2017

A New Two-Constant Equation of State
journal, February 1976

PFLOTRAN User Manual: A Massively Parallel Reactive Flow and Transport Model for Describing Surface and Subsurface Processes
report, January 2015

Cation and proton exchange, p H variations, and carbonate reactions in a freshening aquifer
journal, October 1994

Three-Phase Compositional Modeling with Capillarity in Heterogeneous and Fractured Media
journal, August 2013

Impacts of Methane on Carbon Dioxide Storage in Brine Formations
journal, January 2018

Reactive transport benchmarks for subsurface environmental simulation
journal, June 2015

Higher-order compositional modeling of three-phase flow in 3D fractured porous media based on cross-flow equilibrium
journal, October 2013

ORCHESTRA: An Object-Oriented Framework for Implementing Chemical Equilibrium Models
journal, March 2003

Adaptive implicit finite element methods for multicomponent compressible flow in heterogeneous and fractured porous media: AIM FOR HETEROGENEOUS FRACTURED MEDIA
journal, January 2017

Continuum model for simultaneous chemical reactions and mass transport in hydrothermal systems
journal, March 1985

Coupling IPhreeqc with UTCHEM to model reactive flow and transport
journal, September 2015

Modeling multiphase non-isothermal fluid flow and reactive geochemical transport in variably saturated fractured rocks: 1. Methodology
journal, January 2001

Unified model for nonideal multicomponent molecular diffusion coefficients
journal, November 2007

STOMP Subsurface Transport Over Multiple Phases, Version 4.0, User?s Guide
report, June 2006

PHT3D: A Reactive Multicomponent Transport Model for Saturated Porous Media
journal, July 2010

�ber die partiellen Differenzengleichungen der mathematischen Physik
journal, December 1928

Modeling Multicomponent Diffusion and Convection in Porous Media
journal, June 2000

Reservoir simulation with the cubic plus (cross-) association equation of state for water, CO2, hydrocarbons, and tracers
journal, April 2018