Molecular Modeling of Subsurface Phenomena Related to Petroleum Engineering
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Title
Molecular Modeling of Subsurface Phenomena Related to Petroleum Engineering
Authors
Keywords
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Journal
ENERGY & FUELS
Volume 35, Issue 4, Pages 2851-2869
Publisher
American Chemical Society (ACS)
Online
2021-02-03
DOI
10.1021/acs.energyfuels.0c02961
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Note: Only part of the references are listed.- Review of low salinity waterflooding mechanisms: Wettability alteration and its impact on oil recovery
- (2020) Fanli Liu et al. FUEL
- Confinement Effects and CO2/CH4 Competitive Adsorption in Realistic Shale Kerogen Nanopores
- (2020) Wenning Zhou et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Salinity-dependent alterations of static and dynamic contact angles in oil/brine/calcite systems: A molecular dynamics simulation study
- (2020) Jin Zhao et al. FUEL
- Molecular simulation of the adsorption-induced deformation during CO2 sequestration in shale and coal carbon slit pores
- (2020) Hongyang Zhang et al. FUEL
- Fast transport of water in carbon nanotubes: a review of current accomplishments and challenges
- (2020) Alan Sam et al. MOLECULAR SIMULATION
- Modeling Nanoconfinement Effects Using Active Learning
- (2020) Javier E. Santos et al. Journal of Physical Chemistry C
- Molecular Simulation Study on Methane Adsorption Capacity and Mechanism in Clay Minerals: Effect of Clay Type, Pressure, and Water Saturation in Shales
- (2019) Wei Li et al. ENERGY & FUELS
- Molecular dynamics simulations in reservoir analysis of offshore petroleum reserves: A systematic review of theory and applications
- (2019) Masoud Seyyedattar et al. EARTH-SCIENCE REVIEWS
- Asphaltene Aggregation in Oil and Gas Mixtures: Insights from Molecular Simulation
- (2019) Mohamed Mehana et al. ENERGY & FUELS
- Mixture Composition Effect on Hydrocarbon–Water Transport in Shale Organic Nanochannels
- (2019) Zheng Li et al. Journal of Physical Chemistry Letters
- A comprehensive review of asphaltene deposition in petroleum reservoirs: Theory, challenges, and tips
- (2019) Sepideh Alimohammadi et al. FUEL
- Structure, Thermodynamics, and Dynamics of Thin Brine Films in Oil–Brine–Rock Systems
- (2019) Chao Fang et al. LANGMUIR
- A review of phase behavior simulation of hydrocarbons in confined space: Implications for shale oil and shale gas
- (2019) Xinyue Liu et al. Journal of Natural Gas Science and Engineering
- Deformation and Swelling of Kerogen Matrix in Light Hydrocarbons and Carbon Dioxide
- (2019) Stéphane Tesson et al. Journal of Physical Chemistry C
- Gas oversolubility in nanoconfined liquids: Review and perspectives for adsorbent design
- (2019) Benoit Coasne et al. MICROPOROUS AND MESOPOROUS MATERIALS
- Low salinity effect on the recovery of oil trapped by nanopores: A molecular dynamics study
- (2019) Chao Fang et al. FUEL
- Slip length of methane flow under shale reservoir conditions: Effect of pore size and pressure
- (2019) Yiling Nan et al. FUEL
- Inertial Effects During the Process of Supercritical CO 2 Displacing Brine in a Sandstone: Lattice Boltzmann Simulations Based on the Continuum‐Surface‐Force and Geometrical Wetting Models
- (2019) Yu Chen et al. WATER RESOURCES RESEARCH
- Adsorption of organic molecules on mineral surfaces studied by first-principle calculations: A review
- (2018) Hongxia Zhao et al. ADVANCES IN COLLOID AND INTERFACE SCIENCE
- Current understanding of shale wettability: A review on contact angle measurements
- (2018) Mohammed Abdul Qadeer Siddiqui et al. EARTH-SCIENCE REVIEWS
- Molecular Simulations of Methane Adsorption Behavior in Illite Nanopores Considering Basal and Edge Surfaces
- (2018) Youzhi Hao et al. ENERGY & FUELS
- Effect of CO2 on the Interfacial and Transport Properties of Water/Binary and Asphaltenic Oils: Insights from Molecular Dynamics
- (2018) Sohaib Mohammed et al. ENERGY & FUELS
- Molecular simulation of adsorption behaviors of methane, carbon dioxide and their mixtures on kerogen: Effect of kerogen maturity and moisture content
- (2018) Liang Huang et al. FUEL
- Study on the Asphaltene Precipitation in CO2 Flooding: A Perspective from Molecular Dynamics Simulation
- (2018) Timing Fang et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Synergistic Adsorption of Polyaromatic Compounds on Silica Surfaces Studied by Molecular Dynamics Simulation
- (2018) Yong Xiong et al. Journal of Physical Chemistry C
- Chemo-mechanical coupling in kerogen gas adsorption/desorption
- (2018) Tuan Anh Ho et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The Density of Oil/Gas Mixtures: Insights From Molecular Simulations
- (2018) Mohamed Mehana et al. SPE JOURNAL
- Slip Velocity of Methane Flow in Nanopores With Kerogen and Quartz Surfaces
- (2018) Naoki Okamoto et al. SPE JOURNAL
- Phase Behavior in Shale Organic/Inorganic Nanopores From Molecular Simulation
- (2018) Bikai Jin et al. SPE RESERVOIR EVALUATION & ENGINEERING
- Pressure-driven supercritical CO2 transport through a silica nanochannel
- (2018) Bing Liu et al. RSC Advances
- The Water-Alkane Interface at Various NaCl Salt Concentrations: A Molecular Dynamics Study of the Readily Available Force Fields
- (2018) Thomas R. Underwood et al. Scientific Reports
- A review on the effect of confinement on phase behavior in tight formations
- (2018) Shadi Salahshoor et al. Journal of Natural Gas Science and Engineering
- Molecular Simulations of Binary Gas Mixture Transport and Separation in Slit Nanopores
- (2018) Tianhao Wu et al. Journal of Physical Chemistry C
- Methane Adsorption and Self-Diffusion in Shale Kerogen and Slit Nanopores by Molecular Simulations
- (2018) Stephane Tesson et al. Journal of Physical Chemistry C
- Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies
- (2018) Ioannis N. Tsimpanogiannis et al. MOLECULAR SIMULATION
- Modeling the phase equilibria of asymmetric hydrocarbon mixtures using molecular simulation and equations of state
- (2018) Ilias K. Nikolaidis et al. AICHE JOURNAL
- Molecular Simulation of Carbon Dioxide and Methane Adsorption in Shale Organic Nanopores
- (2018) Kecheng Zeng et al. ENERGY & FUELS
- Literature review of low salinity waterflooding from a length and time scale perspective
- (2018) W.-B. Bartels et al. FUEL
- The role of calcite and silica interfaces on the aggregation and transport of asphaltenes in confinement
- (2018) Sohaib Mohammed et al. JOURNAL OF MOLECULAR LIQUIDS
- Nanoscale Two-Phase Flow of Methane and Water in Shale Inorganic Matrix
- (2018) Bing Liu et al. Journal of Physical Chemistry C
- Molecular dynamics simulation of methane transport in confined organic nanopores with high relative roughness
- (2018) Jian He et al. Journal of Natural Gas Science and Engineering
- The impact of asphaltene deposition on fluid flow in sandstone
- (2018) Mohamed Mehana et al. JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
- Effects of the N, O, and S heteroatoms on the adsorption and desorption of asphaltenes on silica surface: A molecular dynamics simulation
- (2018) Yun Bai et al. FUEL
- Pressure-dependent equilibrium molecular simulation of shale gas and its distribution and motion characteristics in organic-rich nano-slit
- (2018) Yaxiong Li et al. FUEL
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- (2017) Haiyi Wu et al. ENERGY & FUELS
- Simulation of Asphaltene Aggregation through Molecular Dynamics: Insights and Limitations
- (2017) T. F. Headen et al. ENERGY & FUELS
- Molecular simulation of the pore size distribution effect on phase behavior of methane confined in nanopores
- (2017) Bikai Jin et al. FLUID PHASE EQUILIBRIA
- A molecular dynamics explanation for fast imbibition of oil in organic tight rocks
- (2017) Shu Yang et al. FUEL
- Modeling and simulation of gas transport in carbon-based organic nano-capillaries
- (2017) Mohammad Kazemi et al. FUEL
- Molecular dynamics studies of interaction between asphaltenes and solvents
- (2017) Salah Yaseen et al. JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
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- (2017) Greeshma Gadikota et al. Journal of Physical Chemistry C
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- (2017) T. R. Zeitler et al. Journal of Physical Chemistry C
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- (2017) M. F. Castez et al. Journal of Physical Chemistry C
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- A non-equilibrium molecular dynamics study of methane transport in clay nano-pores
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- (2017) Elena R. Remesal et al. THEORETICAL CHEMISTRY ACCOUNTS
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- (2017) Bing Liu et al. RSC Advances
- Molecular dynamics for ion-tuned wettability in oil/brine/rock systems
- (2017) Huanhuan Tian et al. AIP Advances
- Channel-width dependent pressure-driven flow characteristics of shale gas in nanopores
- (2017) Jie Chen et al. AIP Advances
- Kerogen Swelling and Confinement: Its implication on Fluid Thermodynamic Properties in Shales
- (2017) Manas Pathak et al. Scientific Reports
- Clay mineralogy and unconventional hydrocarbon shale reservoirs in the USA. I. Occurrence and interpretation of mixed-layer R3 ordered illite/smectite
- (2016) M.J. Wilson et al. EARTH-SCIENCE REVIEWS
- Adsorption Behavior of Hydrocarbon on Illite
- (2016) G. Chen et al. ENERGY & FUELS
- Novel Dispersant for Formation Damage Prevention in CO2: A Molecular Dynamics Study
- (2016) Evan Lowry et al. ENERGY & FUELS
- Phase behavior of multi-component hydrocarbon systems in nano-pores using gauge-GCMC molecular simulation
- (2016) Bikai Jin et al. FLUID PHASE EQUILIBRIA
- Molecular dynamics simulations of oil transport through inorganic nanopores in shale
- (2016) Sen Wang et al. FUEL
- Fast mass transport of oil and supercritical carbon dioxide through organic nanopores in shale
- (2016) Sen Wang et al. FUEL
- Phase Equilibria of Confined Fluids in Nanopores of Tight and Shale Rocks Considering the Effect of Capillary Pressure and Adsorption Film
- (2016) Xiaohu Dong et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Mesoscale Simulation of Asphaltene Aggregation
- (2016) Jiang Wang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Reduction of Water/Oil Interfacial Tension by Model Asphaltenes: The Governing Role of Surface Concentration
- (2016) Cuiying Jian et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Wetting Effects and Molecular Adsorption at Hydrated Kaolinite Clay Mineral Surfaces
- (2016) Thomas Underwood et al. Journal of Physical Chemistry C
- Tunable Substrate Wettability by Thin Water Layer
- (2016) Felipe Jiménez-Ángeles et al. Journal of Physical Chemistry C
- Contact Angle, Liquid Film, and Liquid–Liquid and Liquid–Solid Interfaces in Model Oil–Brine–Substrate Systems
- (2016) Felipe Jiménez-Ángeles et al. Journal of Physical Chemistry C
- Effect of confinement in nano-porous materials on the solubility of a supercritical gas
- (2016) Yaofeng Hu et al. MOLECULAR PHYSICS
- Realistic molecular model of kerogen’s nanostructure
- (2016) Colin Bousige et al. NATURE MATERIALS
- Adsorption-Enhanced Transport of Hydrocarbons in Organic Nanopores
- (2016) Sansarng Riewchotisakul et al. SPE JOURNAL
- Effect of Confinement on Pressure/Volume/Temperature Properties of Hydrocarbons in Shale Reservoirs
- (2016) Termpan Pitakbunkate et al. SPE JOURNAL
- Molecular simulation of methane adsorption in slit-like quartz pores
- (2016) Jian Xiong et al. RSC Advances
- A microscopic characterization of wettability in shale kerogen with varying maturity levels
- (2016) Yinan Hu et al. Journal of Natural Gas Science and Engineering
- Effect of surface chemistry for CH 4 /CO 2 adsorption in kerogen: A molecular simulation study
- (2016) Hongguang Sui et al. Journal of Natural Gas Science and Engineering
- Superdiffusive gas recovery from nanopores
- (2016) Haiyi Wu et al. Physical Review Fluids
- Nanostructural control of methane release in kerogen and its implications to wellbore production decline
- (2016) Tuan Anh Ho et al. Scientific Reports
- Aspects of Asphaltene Aggregation Obtained from Coarse-Grained Molecular Modeling
- (2015) Julio F. Jover et al. ENERGY & FUELS
- Molecular Dynamics Simulation of Self-Aggregation of Asphaltenes at an Oil/Water Interface: Formation and Destruction of the Asphaltene Protective Film
- (2015) Juan Liu et al. ENERGY & FUELS
- Flow of methane in shale nanopores at low and high pressure by molecular dynamics simulations
- (2015) Zhehui Jin et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular Dynamic Simulations of Montmorillonite–Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery
- (2015) Thomas Underwood et al. Journal of Physical Chemistry C
- Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity
- (2015) Li Chen et al. Scientific Reports
- Molecular Dynamics, Monte Carlo Simulations, and Langevin Dynamics: A Computational Review
- (2015) Eric Paquet et al. Biomed Research International
- Molecular Modeling of the Volumetric and Thermodynamic Properties of Kerogen: Influence of Organic Type and Maturity
- (2014) Philippe Ungerer et al. ENERGY & FUELS
- Aqueous Methane in Slit-Shaped Silica Nanopores: High Solubility and Traces of Hydrates
- (2014) Anh Phan et al. Journal of Physical Chemistry C
- Scaling behaviour for the water transport in nanoconfined geometries
- (2014) Eliodoro Chiavazzo et al. Nature Communications
- Molecular Simulation of CO2 Solubility and Its Effect on Octane Swelling
- (2013) Junfang Zhang et al. ENERGY & FUELS
- Molecular Dynamics Simulations of Asphaltenes at the Oil–Water Interface: From Nanoaggregation to Thin-Film Formation
- (2013) Yohei Mikami et al. ENERGY & FUELS
- Methane and carbon dioxide adsorption in clay-like slit pores by Monte Carlo simulations
- (2013) Zhehui Jin et al. FLUID PHASE EQUILIBRIA
- Effect of Asphaltene Structure on Association and Aggregation Using Molecular Dynamics
- (2013) Mohammad Sedghi et al. JOURNAL OF PHYSICAL CHEMISTRY B
- A reality check on the shale revolution
- (2013) J. David Hughes NATURE
- Pore-scale imaging and modelling
- (2012) Martin J. Blunt et al. ADVANCES IN WATER RESOURCES
- Complex Flow and Composition Path in CO2 Injection Schemes from Density Effects
- (2012) Tausif Ahmed et al. ENERGY & FUELS
- Measurement and correlation of saturated liquid properties and gas solubility for decane, tetradecane and their binary mixtures saturated with carbon dioxide
- (2012) Hossein Nourozieh et al. FLUID PHASE EQUILIBRIA
- Phase composition and saturated liquid properties in binary and ternary systems containing carbon dioxide, n-decane, and n-tetradecane
- (2012) Mohammad Kariznovi et al. JOURNAL OF CHEMICAL THERMODYNAMICS
- Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl–CaCl2) solutions
- (2011) Ian C. Bourg et al. JOURNAL OF COLLOID AND INTERFACE SCIENCE
- Molecular Dynamics Simulations of Asphaltene Aggregation in Supercritical Carbon Dioxide with and without Limonene†
- (2010) Thomas F. Headen et al. ENERGY & FUELS
- Evidence for Asphaltene Nanoaggregation in Toluene and Heptane from Molecular Dynamics Simulations†
- (2009) Thomas F. Headen et al. ENERGY & FUELS
- Quantitative Molecular Representation of Asphaltenes and Molecular Dynamics Simulation of Their Aggregation†
- (2009) Edo S. Boek et al. ENERGY & FUELS
- Attractive Surface Force in the Presence of Dissolved Gas: A Molecular Approach†
- (2007) Dusan Bratko et al. LANGMUIR
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