4.7 Article

Diffusion Behavior of Methane in 3D Kerogen Models

Related references

Note: Only part of the references are listed.
Article Engineering, Chemical

Methane and carbon dioxide indual-porosityorganic matter: molecular simulations of adsorption and diffusion

Eliska Rezlerova et al.

Summary: Shale gas, primarily composed of methane, is a significant unconventional energy resource with the potential to impact global natural gas supplies. Understanding the behavior of methane and methane/carbon dioxide mixtures in the narrow pores of shale formations is crucial for minimizing environmental impact.

AICHE JOURNAL (2021)

Article Energy & Fuels

Molecular characterization of carbon dioxide, methane, and water adsorption in micropore space of kerogen matrix

Leebyn Chong et al.

Summary: The interaction of carbon dioxide and methane with organic matter represented by kerogen heavily impacts carbon storage and enhanced gas recovery in shales. In this study, molecular dynamics and Monte Carlo simulations were used to investigate the adsorption of carbon dioxide, methane, and water in immature type II-A kerogen. Water shows the highest uptake due to strong energy interaction with kerogen, while methane and carbon dioxide display similar adsorption in micropore space.
Article Chemistry, Multidisciplinary

Molecular Dynamics Study on CO2 Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size

Wenhui Li et al.

Summary: This study investigated the effects of kerogen maturity and pore size on CO2 storage mechanism and capacity in water-filled kerogen nanopores using molecular dynamics simulation. The results showed that CO2 storage mechanisms differ in pores of different sizes, with enhanced storage capacity in 1 nm pores due to strong interactions between kerogen and CO2. Additionally, CO2 clusters near the kerogen surface in larger pores increased overall CO2 storage capacity.

LANGMUIR (2021)

Article Energy & Fuels

Molecular insights into recovery of shale gas by CO2 injection in kerogen slit nanopores

Qian Sun et al.

Summary: The study shows that pressure positively affects the adsorption capacity of CH4 and CO2, with CO2 having a higher affinity for kerogen and better displacement ability. This suggests that CO2 can be an ideal candidate for CH4 recovery in shale reservoirs with natural or artificial fractures.

JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING (2021)

Article Chemistry, Physical

Kerogen Swelling in Light Hydrocarbon Gases and Liquids and Validity of Schroeder's Paradox

Zheng Li et al.

Summary: This study investigates the sorption of hydrocarbon gases and liquids in kerogen and the induced swelling of kerogen matrix. The results show that smaller hydrocarbon molecules have higher sorption and induced greater swelling in the kerogen matrix. Hydrocarbon liquids induce higher kerogen swelling than gases, leading to significant changes in pore structure in the kerogen matrix.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

Article Biochemistry & Molecular Biology

Effect of Kerogen Thermal Maturity on Methane Adsorption Capacity: A Molecular Modeling Approach

Saad Alafnan et al.

MOLECULES (2020)

Article Chemistry, Multidisciplinary

Study of CO2 Enhancing Shale Gas Recovery Based on Competitive Adsorption Theory

Ying Sun et al.

ACS OMEGA (2020)

Article Chemistry, Physical

Materials Informatics with PoreBlazer v4.0 and the CSD MOF Database

Lev Sarkisov et al.

CHEMISTRY OF MATERIALS (2020)

Article Chemistry, Physical

Effect of Microstructural Flexibility on Methane Flow in Kerogen Matrix by Molecular Dynamics Simulations

Tianhao Wu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Article Energy & Fuels

Quantifying dry supercritical CO2-induced changes of the Utica Shale

Sean Sanguinito et al.

Article Chemistry, Physical

Transport Properties of Shale Gas in Relation to Kerogen Porosity

Manolis Vasileiadis et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Chemistry, Physical

Methane Adsorption and Self-Diffusion in Shale Kerogen and Slit Nanopores by Molecular Simulations

Stephane Tesson et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Multidisciplinary Sciences

Mesoscale structure, mechanics, and transport properties of source rocks' organic pore networks

Jeremie Berthonneau et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)

Article Energy & Fuels

Modeling of Bulk Kerogen Porosity: Methods for Control and Characterization

Manolis Vasileiadis et al.

ENERGY & FUELS (2017)

Review Energy & Fuels

Understanding Shale Gas: Recent Progress and Remaining Challenges

Alberto Striolo et al.

ENERGY & FUELS (2017)

Article Multidisciplinary Sciences

Kerogen Swelling and Confinement: Its implication on Fluid Thermodynamic Properties in Shales

Manas Pathak et al.

SCIENTIFIC REPORTS (2017)

Article Multidisciplinary Sciences

Sorption Hysteresis of Light Hydrocarbons and Carbon Dioxide in Shale and Kerogen

Huangjing Zhao et al.

SCIENTIFIC REPORTS (2017)

Review Geosciences, Multidisciplinary

Shales at all scales: Exploring coupled processes in mudrocks

Anastasia G. Ilgen et al.

EARTH-SCIENCE REVIEWS (2017)

Article Chemistry, Physical

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

David Dubbeldam et al.

MOLECULAR SIMULATION (2016)

Article Energy & Fuels

Measurements and Modeling of Gas Adsorption on Shales

Pongtorn Charoensuppanimit et al.

ENERGY & FUELS (2016)

Article Energy & Fuels

Effect of surface chemistry for CH4/CO2 adsorption in kerogen: A molecular simulation study

Hongguang Sui et al.

JOURNAL OF NATURAL GAS SCIENCE AND ENGINEERING (2016)

Article Energy & Fuels

The representative sample size in shale oil rocks and nano-scale characterization of transport properties

Soheil Saraji et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2015)

Article Energy & Fuels

Multi-component gas transport and adsorption effects during CO2 injection and enhanced shale gas recovery

Ebrahim Fathi et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2014)

Article Chemistry, Physical

On the inner workings of Monte Carlo codes

David Dubbeldam et al.

MOLECULAR SIMULATION (2013)

Editorial Material Multidisciplinary Sciences

A reality check on the shale revolution

J. David Hughes

NATURE (2013)

Article Energy & Fuels

Molecular Simulation of Adsorption in Microporous Materials

M. Yiannourakou et al.

OIL & GAS SCIENCE AND TECHNOLOGY-REVUE D IFP ENERGIES NOUVELLES (2013)

Article Geosciences, Multidisciplinary

Acoustic emission monitoring of hydraulic fracturing laboratory experiment with supercritical and liquid CO2

Tsuyoshi Ishida et al.

GEOPHYSICAL RESEARCH LETTERS (2012)

Article Energy & Fuels

Laboratory characterisation of shale properties

M. Josh et al.

JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING (2012)

Article Geochemistry & Geophysics

Effect of organic-matter type and thermal maturity on methane adsorption in shale-gas systems

Tongwei Zhang et al.

ORGANIC GEOCHEMISTRY (2012)

Article Geochemistry & Geophysics

A molecular dynamics study of natural organic matter: 1. Lignin, kerogen and soot

Lu Zhang et al.

ORGANIC GEOCHEMISTRY (2009)

Article Chemistry, Physical

Calculating geometric surface areas as a characterization tool for metal-organic frameworks

Tina Dueren et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2007)

Article Energy & Fuels

The organic matter distribution and methane capacity of the lower Cretaceous strata of northeastern British Columbia, Canada

Gareth R. L. Chalmers et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2007)

Article Geosciences, Multidisciplinary

Barnett Shale gas production, Fort Worth Basin: Issues and discussion

Kent A. Bowker

AAPG BULLETIN (2007)

Article Energy & Fuels

On the effects of petrographic composition on coalbed methane sorption

Gareth R. L. Chalmers et al.

INTERNATIONAL JOURNAL OF COAL GEOLOGY (2007)

Article Chemistry, Physical

Canonical sampling through velocity rescaling

Giovanni Bussi et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Multidisciplinary

Development and testing of a general amber force field

JM Wang et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Chemistry, Physical

Reference potentials for adsorption of helium, argon, methane, and krypton in high-silica zeolites

O Talu et al.

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2001)