Molecular Modeling of Subsurface Phenomena Related to Petroleum Engineering
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Qinjun Kang | Mohamed Mehana | Hadi Nasrabadi | Hari Viswanathan | Q. Kang | H. Viswanathan | H. Nasrabadi | M. Mehana | Mohamed Mehana
[1] Michael T. Wilson,et al. Clay mineralogy and unconventional hydrocarbon shale reservoirs in the USA. I. Occurrence and interpretation of mixed-layer R3 ordered illite/smectite , 2016 .
[2] Yifeng Wang,et al. Nanostructural control of methane release in kerogen and its implications to wellbore production decline , 2016, Scientific Reports.
[3] Juan J. de Pablo,et al. ON THE SIMULATION OF VAPOR-LIQUID EQUILIBRIA FOR ALKANES , 1998 .
[4] Walter G Chapman,et al. Insights into the mechanisms affecting water/oil interfacial tension as a function of salt types and concentrations , 2020 .
[5] Liangliang Huang,et al. The Density of Oil/Gas Mixtures: Insights From Molecular Simulations , 2018 .
[6] J. Smith,et al. Viscosity, density, and composition measurements of CO2/West Texas oil systems , 1993 .
[7] D. Lu,et al. Molecular Simulations of Methane Adsorption Behavior in Illite Nanopores Considering Basal and Edge Surfaces , 2018 .
[8] E. Boek,et al. Simulation of Asphaltene Aggregation through Molecular Dynamics: Insights and Limitations , 2017 .
[9] Zhiming Hu,et al. Pressure-dependent equilibrium molecular simulation of shale gas and its distribution and motion characteristics in organic-rich nano-slit , 2019, Fuel.
[10] Shuyu Sun,et al. Low salinity effect on the recovery of oil trapped by nanopores: A molecular dynamics study , 2020 .
[11] Jun Zhang,et al. Mechanism of asphaltene aggregation induced by supercritical CO2: insights from molecular dynamics simulation , 2017 .
[12] R. Xu,et al. Molecular Simulation of Carbon Dioxide and Methane Adsorption in Shale Organic Nanopores , 2018, Energy & Fuels.
[13] H. Roshan,et al. Current understanding of shale wettability: A review on contact angle measurements , 2018, Earth-Science Reviews.
[14] T. Matsuoka,et al. Slip Velocity of Methane Flow in Nanopores With Kerogen and Quartz Surfaces , 2017 .
[15] R. Hjelm,et al. Reduced methane recovery at high pressure due to methane trapping in shale nanopores , 2020, Communications Earth & Environment.
[16] G. Sposito,et al. Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl-CaCl2) solutions. , 2011, Journal of colloid and interface science.
[17] Gerrit Groenhof,et al. GROMACS: Fast, flexible, and free , 2005, J. Comput. Chem..
[18] Shuyu Sun,et al. Structure, Thermodynamics, and Dynamics of Thin Brine Films in Oil-Brine-Rock Systems. , 2019, Langmuir : the ACS journal of surfaces and colloids.
[19] Farzam Javadpour,et al. Fast mass transport of oil and supercritical carbon dioxide through organic nanopores in shale , 2016 .
[20] T. Darden,et al. A smooth particle mesh Ewald method , 1995 .
[21] Xunliang Liu,et al. Confinement Effects and CO2/CH4 Competitive Adsorption in Realistic Shale Kerogen Nanopores , 2020 .
[22] S. Clarke,et al. Low Salinity Oil Recovery: Increasing Understanding of the Underlying Mechanisms , 2010 .
[23] Xiangbin Zhao,et al. Nanoscale Two-Phase Flow of Methane and Water in Shale Inorganic Matrix , 2018, The Journal of Physical Chemistry C.
[24] T. Darden,et al. Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems , 1993 .
[25] Yifeng Wang,et al. Supercritical CO2-induced atomistic lubrication for water flow in a rough hydrophilic nanochannel. , 2018, Nanoscale.
[26] D. Farrusseng,et al. Gas oversolubility in nanoconfined liquids: Review and perspectives for adsorbent design , 2019, Microporous and Mesoporous Materials.
[27] A. Firoozabadi,et al. Molecular Simulations of Binary Gas Mixture Transport and Separation in Slit Nanopores , 2018, The Journal of Physical Chemistry C.
[28] A. Galindo,et al. Aspects of Asphaltene Aggregation Obtained from Coarse-Grained Molecular Modeling , 2015 .
[29] Carl H. Sondergeld,et al. New Pore-scale Considerations for Shale Gas in Place Calculations , 2010 .
[30] Stephen Butt,et al. Molecular dynamics simulations in reservoir analysis of offshore petroleum reserves: A systematic review of theory and applications , 2019, Earth-Science Reviews.
[31] Mohamed Mehana,et al. Shale characteristics impact on Nuclear Magnetic Resonance (NMR) fluid typing methods and correlations , 2016 .
[32] J. Abedi,et al. Measurement and correlation of saturated liquid properties and gas solubility for decane, tetradecane and their binary mixtures saturated with carbon dioxide , 2013 .
[33] Larry Kevin Britt,et al. The Geomechanics Of A Shale Play: What Makes A Shale Prospective , 2009 .
[34] Moran Wang,et al. Molecular dynamics for ion-tuned wettability in oil/brine/rock systems , 2017 .
[35] Daan Frenkel,et al. Configurational bias Monte Carlo: a new sampling scheme for flexible chains , 1992 .
[36] A. Márquez,et al. Molecular dynamics simulations of the role of salinity and temperature on the hydrocarbon/water interfacial tension , 2017, Theoretical Chemistry Accounts.
[37] Marcelle B. M. Spera,et al. Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies , 2018, Molecular Simulation.
[38] A. Firoozabadi,et al. Methane and carbon dioxide adsorption in clay-like slit pores by Monte Carlo simulations , 2013 .
[39] Dongxiao Zhang,et al. A review of phase behavior simulation of hydrocarbons in confined space: Implications for shale oil and shale gas , 2019, Journal of Natural Gas Science and Engineering.
[40] S. Zendehboudi,et al. A comprehensive review of asphaltene deposition in petroleum reservoirs: Theory, challenges, and tips , 2019, Fuel.
[41] Yadong He,et al. Recovery of Multicomponent Shale Gas from Single Nanopores , 2017 .
[42] H. Dehghanpour,et al. A molecular dynamics explanation for fast imbibition of oil in organic tight rocks , 2017 .
[43] L. Verlet. Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules , 1967 .
[44] Q. Ran,et al. Adsorption of organic molecules on mineral surfaces studied by first-principle calculations: A review. , 2018, Advances in colloid and interface science.
[45] Liangliang Huang,et al. Asphaltene Aggregation in Oil and Gas Mixtures: Insights from Molecular Simulation , 2019, Energy & Fuels.
[46] Molecular Simulation of Phase Equilibria for Water−n-Butane and Water−n-Hexane Mixtures , 2000 .
[47] Pablo G. Debenedetti,et al. On the use of the Verlet neighbor list in molecular dynamics , 1990 .
[48] W. Tao,et al. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity , 2014, Scientific reports.
[49] D. Wen,et al. Salinity-dependent alterations of static and dynamic contact angles in oil/brine/calcite systems: A molecular dynamics simulation study , 2020, Fuel.
[50] E. Boek,et al. Evidence for Asphaltene Nanoaggregation in Toluene and Heptane from Molecular Dynamics Simulations , 2009 .
[51] Mohammad Kazemi,et al. Modeling and simulation of gas transport in carbon-based organic nano-capillaries , 2017 .
[52] K. Sorbie,et al. Low salinity oil recovery - an experimental investigation , 2008 .
[53] Shinya Sato,et al. Structural Relaxation Behaviors of Three Different Asphaltenes Using MD Calculations , 2004 .
[54] J. Ilja Siepmann,et al. Predicting multicomponent phase equilibria and free energies of transfer for alkanes by molecular simulation , 1997 .
[55] M. Blunt,et al. Pore-scale imaging and modelling , 2013 .
[56] Liange Zheng,et al. Molecular dynamics simulation of methane transport in confined organic nanopores with high relative roughness , 2019, Journal of Natural Gas Science and Engineering.
[57] G. Rother,et al. Hydrophobic Solvation of Gases (CO2, CH4, H2, Noble Gases) in Clay Interlayer Nanopores , 2017 .
[58] Jeremy C. Palmer,et al. A non-equilibrium molecular dynamics study of methane transport in clay nano-pores , 2017 .
[59] E. Chrisman,et al. Modeling solvent effects on asphaltene dimers , 2005 .
[60] Yiling Nan,et al. Slip length of methane flow under shale reservoir conditions: Effect of pore size and pressure , 2020 .
[61] A. Firoozabadi,et al. Deformation and Swelling of Kerogen Matrix in Light Hydrocarbons and Carbon Dioxide , 2019, The Journal of Physical Chemistry C.
[62] Sarith P. Sathian,et al. Fast transport of water in carbon nanotubes: a review of current accomplishments and challenges , 2020, Molecular Simulation.
[63] S. M. Hassanizadeh,et al. Literature review of low salinity waterflooding from a length and time scale perspective , 2019, Fuel.
[64] Valentina Erastova,et al. Molecular Dynamic Simulations of Montmorillonite–Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery , 2015 .
[65] Yadong He,et al. Super-Diffusive Gas Recovery from Nanopores , 2016, 1610.04934.
[66] J. Heath,et al. Shales at all scales: Exploring coupled processes in mudrocks , 2017 .
[67] E. Boek,et al. Quantitative Molecular Representation of Asphaltenes and Molecular Dynamics Simulation of Their Aggregation , 2009 .
[68] H. Berendsen,et al. Molecular dynamics with coupling to an external bath , 1984 .
[69] Shiling Yuan,et al. Adsorption of a Polyaromatic Compound on Silica Surfaces from Organic Solvents Studied by Molecular Dynamics Simulation and AFM Imaging , 2017 .
[70] J. D. Hughes,et al. Energy: A reality check on the shale revolution , 2013, Nature.
[71] A. Firoozabadi,et al. Methane Adsorption and Self-Diffusion in Shale Kerogen and Slit Nanopores by Molecular Simulations , 2018, The Journal of Physical Chemistry C.
[72] Denis J. Evans,et al. The Nose–Hoover thermostat , 1985 .
[73] Shinya Sato,et al. Molecular Dynamics Simulation of the Heat-Induced Relaxation of Asphaltene Aggregates , 2003 .
[74] Liangliang Huang,et al. System Density of Oil-Gas Mixtures: Insights from Molecular Simulations , 2017 .
[75] Pietro Asinari,et al. Scaling behaviour for the water transport in nanoconfined geometries , 2014, Nature Communications.
[76] Farzam Javadpour,et al. Numerical Simulation of Shale-Gas Production: From Pore-Scale Modeling of Slip-Flow, Knudsen Diffusion, and Langmuir Desorption to Reservoir Modeling of Compressible Fluid , 2011 .
[77] Amyn S. Teja,et al. The critical temperatures and densities of the n-alkanes from pentane to octadecane , 1990 .
[78] E. A. Müller,et al. Mesoscopic Simulation of Aggregation of Asphaltene and Resin Molecules in Crude Oils , 2005, Energy & Fuels.
[79] Amanda M. M. Bustin,et al. Impact of Shale Properties on Pore Structure and Storage Characteristics , 2008 .
[80] D. Valentine,et al. The first decade of scientific insights from the Deepwater Horizon oil release , 2020, Nature Reviews Earth & Environment.
[81] K. Gubbins,et al. Effect of confinement in nano-porous materials on the solubility of a supercritical gas , 2016 .
[82] Fengchao Wang,et al. Channel-width dependent pressure-driven flow characteristics of shale gas in nanopores , 2017 .
[83] Evan Lowry,et al. Novel Dispersant for Formation Damage Prevention in CO2: A Molecular Dynamics Study , 2016 .
[84] T. Underwood,et al. Wetting Effects and Molecular Adsorption at Hydrated Kaolinite Clay Mineral Surfaces , 2016 .
[85] Shiling Yuan,et al. Synergistic Adsorption of Polyaromatic Compounds on Silica Surfaces Studied by Molecular Dynamics Simulation , 2018 .
[86] R. Sigal,et al. A microscopic characterization of wettability in shale kerogen with varying maturity levels , 2014 .
[87] B. Evans,et al. Molecular simulation of the adsorption-induced deformation during CO2 sequestration in shale and coal carbon slit pores , 2020 .
[88] A. Firoozabadi,et al. Contact Angle, Liquid Film, and Liquid − Liquid and Liquid − Solid Interfaces in Model Oil − Brine − Substrate Systems , 2016 .
[89] W. Welch,et al. Effect of asphaltene structure on association and aggregation using molecular dynamics. , 2013, The journal of physical chemistry. B.
[90] A. Firoozabadi,et al. Tunable Substrate Wettability by Thin Water Layer. , 2016, The journal of physical chemistry. B.
[91] J. Fredrich,et al. Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure , 2017 .
[92] Andrew L. Ferguson,et al. Mesoscale Simulation of Asphaltene Aggregation. , 2016, The journal of physical chemistry. B.
[93] D. Cole,et al. Aqueous Methane in Slit-Shaped Silica Nanopores: High Solubility and Traces of Hydrates , 2014 .
[94] Milind Deo,et al. Kerogen Swelling and Confinement: Its implication on Fluid Thermodynamic Properties in Shales , 2017, Scientific Reports.
[95] Janet E. Jones. On the determination of molecular fields. —II. From the equation of state of a gas , 1924 .
[96] E. Paquet,et al. Molecular Dynamics, Monte Carlo Simulations, and Langevin Dynamics: A Computational Review , 2015, BioMed research international.
[97] G. Moridis,et al. Effect of Confinement on Pressure/Volume/Temperature Properties of Hydrocarbons in Shale Reservoirs , 2016 .
[98] S. E. Buckley,et al. Mechanism of Fluid Displacement in Sands , 1942 .
[99] Hongbo Zeng,et al. Reduction of Water/Oil Interfacial Tension by Model Asphaltenes: The Governing Role of Surface Concentration. , 2016, The journal of physical chemistry. B.
[100] Yifeng Wang,et al. Chemo-mechanical coupling in kerogen gas adsorption/desorption. , 2018, Physical chemistry chemical physics : PCCP.
[101] Juan Liu,et al. Molecular Dynamics Simulation of Self-Aggregation of Asphaltenes at an Oil/Water Interface: Formation and Destruction of the Asphaltene Protective Film , 2015 .
[102] Palash Panja,et al. What Happens to Permeability at the Nanoscale? A Molecular Dynamics Simulation Study , 2017 .
[103] D. Theodorou,et al. Molecular Simulation of Phase Equilibria for Water−Methane and Water−Ethane Mixtures , 1998 .
[104] Keyu Liu,et al. Adsorption Behavior of Hydrocarbon on Illite , 2016 .
[105] J. Fredrich,et al. Adsorption of Aqueous Crude Oil Components on the Basal Surfaces of Clay Minerals: Molecular Simulations Including Salinity and Temperature Effects , 2017 .
[106] D. Bratko,et al. Attractive surface force in the presence of dissolved gas: a molecular approach. , 2008, Langmuir : the ACS journal of surfaces and colloids.
[107] A. J. Clark,et al. Determination of Recovery Factor in the Bakken Formation, Mountrail County, ND , 2009 .
[108] H. Nasrabadi,et al. Phase behavior of multi-component hydrocarbon systems in nano-pores using gauge-GCMC molecular simulation , 2016 .
[109] F. Ulm,et al. Realistic molecular model of kerogen's nanostructure. , 2016, Nature materials.
[110] Xiangfang Li,et al. Diffusion and Flow Mechanisms of Shale Gas through Matrix Pores and Gas Production Forecasting , 2013 .
[111] M. Mehana,et al. Investigation of Double Layer Expansion in Low-Salinity Waterflooding: Molecular Simulation Study , 2018 .
[112] TieJun Zhang,et al. Direct Prediction of Calcite Surface Wettability with First-Principles Quantum Simulation. , 2017, The journal of physical chemistry letters.
[113] Faruk Civan,et al. A Pore Scale Study Describing the Dynamics of Slickwater Distribution in Shale Gas Formations Following Hydraulic Fracturing , 2013 .
[114] E. Boek,et al. Molecular Dynamics Simulations of Asphaltenes at the Oil–Water Interface: From Nanoaggregation to Thin-Film Formation , 2013 .
[115] G. Atkinson,et al. Developments in understanding seismicity triggered by hydraulic fracturing , 2020, Nature Reviews Earth & Environment.
[116] Catalin Teodoriu,et al. A review on the effect of confinement on phase behavior in tight formations , 2018 .
[117] Zhangxin Chen,et al. Phase Equilibria of Confined Fluids in Nanopores of Tight and Shale Rocks Considering the Effect of Capillary Pressure and Adsorption Film , 2016 .
[118] G. Gadikota,et al. The role of calcite and silica interfaces on the aggregation and transport of asphaltenes in confinement , 2019, Journal of Molecular Liquids.
[119] Ran Bi,et al. Molecular simulation of the pore size distribution effect on phase behavior of methane confined in nanopores , 2017 .
[120] Yifeng Wang,et al. Enhancement of oil flow in shale nanopores by manipulating friction and viscosity. , 2019, Physical chemistry chemical physics : PCCP.
[121] J. Abedi,et al. Phase composition and saturated liquid properties in binary and ternary systems containing carbon dioxide, n-decane, and n-tetradecane , 2013 .
[122] E. Boek,et al. Molecular Dynamics Simulations of Asphaltene Aggregation in Supercritical Carbon Dioxide with and without Limonene , 2011 .
[123] Lamia Goual,et al. Molecular Dynamics Simulations of Asphaltene Dispersion by Limonene and PVAc Polymer During CO 2 Flooding , 2016 .
[124] P. Ungerer,et al. Molecular Modeling of the Volumetric and Thermodynamic Properties of Kerogen: Influence of Organic Type and Maturity , 2015 .
[125] G. Mansoori,et al. Molecular dynamics studies of interaction between asphaltenes and solvents , 2017, 1805.10555.
[126] Keyu Liu,et al. Molecular Simulation of CO2 Solubility and Its Effect on Octane Swelling , 2013 .
[127] Javier E. Santos,et al. Modeling nanoconfinement effects using active learning , 2020, The Journal of Physical Chemistry C.
[128] M. Mehana,et al. The impact of asphaltene deposition on fluid flow in sandstone , 2019, Journal of Petroleum Science and Engineering.
[129] Zheng Li,et al. Mixture Composition Effect on Hydrocarbon-Water Transport in Shale Organic Nanochannels. , 2019, The journal of physical chemistry letters.
[130] Qinjun Kang,et al. Lattice Boltzmann simulation of chemical dissolution in porous media. , 2002, Physical review. E, Statistical, nonlinear, and soft matter physics.
[131] D. Bratko,et al. Gas solubility in hydrophobic confinement. , 2005, The journal of physical chemistry. B.
[132] Moran Wang,et al. Review of low salinity waterflooding mechanisms: Wettability alteration and its impact on oil recovery , 2020 .
[133] Qinjun Kang,et al. Displacement of a two-dimensional immiscible droplet in a channel , 2002 .
[134] Jun Yao,et al. Effect of surface chemistry for CH4/CO2 adsorption in kerogen: A molecular simulation study , 2016 .
[135] V. M. Sánchez,et al. Methane Transport through Distorted Nanochannels: Surface Roughness Beats Tortuosity , 2019, ACS Applied Nano Materials.
[136] T. Underwood,et al. The Water-Alkane Interface at Various NaCl Salt Concentrations: A Molecular Dynamics Study of the Readily Available Force Fields , 2018, Scientific Reports.
[137] Jun Zhang,et al. Study on the Asphaltene Precipitation in CO2 Flooding: A Perspective from Molecular Dynamics Simulation , 2018 .
[138] A. Firoozabadi,et al. Flow of methane in shale nanopores at low and high pressure by molecular dynamics simulations. , 2015, The Journal of chemical physics.
[139] Hongtao Ye,et al. Molecular simulation of adsorption behaviors of methane, carbon dioxide and their mixtures on kerogen: Effect of kerogen maturity and moisture content , 2018 .
[140] T. Vlugt,et al. Modeling the phase equilibria of asymmetric hydrocarbon mixtures using molecular simulation and equations of state , 2018, AIChE Journal.
[141] V. M. Sánchez,et al. Methane Flow through Organic-Rich Nanopores: The Key Role of Atomic-Scale Roughness , 2017 .
[142] Xingang Li,et al. Effects of the N, O, and S heteroatoms on the adsorption and desorption of asphaltenes on silica surface: A molecular dynamics simulation , 2019, Fuel.
[143] Farzam Javadpour,et al. Molecular dynamics simulations of oil transport through inorganic nanopores in shale , 2016 .
[144] Xiangjun Liu,et al. Molecular simulation of methane adsorption in slit-like quartz pores , 2016 .
[145] M. Parrinello,et al. Polymorphic transitions in single crystals: A new molecular dynamics method , 1981 .
[146] Q. Kang,et al. Inertial Effects During the Process of Supercritical CO2 Displacing Brine in a Sandstone: Lattice Boltzmann Simulations Based on the Continuum‐Surface‐Force and Geometrical Wetting Models , 2019, Water Resources Research.
[147] J. I. Siepmann,et al. Pressure dependence of the vapor-liquid-liquid phase behavior in ternary mixtures consisting of n-alkanes, n-perfluoroalkanes, and carbon dioxide. , 2005, The journal of physical chemistry. B.
[148] I. Akkutlu,et al. Adsorption-Enhanced Transport of Hydrocarbons in Organic Nanopores , 2016 .
[149] Yue Shen,et al. Pressure-driven supercritical CO2 transport through a silica nanochannel , 2018, RSC advances.
[150] C. Snape,et al. Molecular Simulation Study on Methane Adsorption Capacity and Mechanism in Clay Minerals: Effect of Clay Type, Pressure, and Water Saturation in Shales , 2019, Energy & Fuels.
[151] Athanassios Z. Panagiotopoulos,et al. Phase equilibria by simulation in the Gibbs ensemble , 1988 .
[152] Complex Flow and Composition Path in CO2 Injection Schemes from Density Effects , 2012 .
[153] G. Mansoori,et al. Effect of CO2 on the Interfacial and Transport Properties of Water/Binary and Asphaltenic Oils: Insights from Molecular Dynamics , 2018 .
[154] N. Quirke,et al. Molecular dynamics of transient oil flows in nanopores I: Imbibition speeds for single wall carbon nanotubes. , 2004, The Journal of chemical physics.