Adsorption and diffusion characteristics of CH4, CO2, and N2 in micropores and mesopores of bituminous coal: Molecular dynamics

Deformation of Shale and Coal Organic Carbon Slit Micropores Induced by CO2-Enhanced Gas Recovery: A Monte Carlo Simulation Study

(2020) Hongyang Zhang et al.   ENERGY & FUELS

Performance of Activated Carbons Derived from Date Seeds in CO2 Swing Adsorption Determined by Combining Experimental and Molecular Simulation Data

(2020) Daniel Bahamon et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Comparative analysis of calculation method of adsorption isosteric heat: Case study of CO2 capture using MOFs

(2020) Zhenyu Du et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Examination of adsorption behaviors of carbon dioxide and methane in oxidized coal seams

(2020) Shuai Wang 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

The effect of nanoparticles on the microstructure of alkanes: A molecular dynamics study

(2020) Xuzhe Wang et al.   JOURNAL OF MOLECULAR LIQUIDS

Methane resaturation in Barnett Formation core plugs and new approach for determination of post-coring gas loss

(2020) Daniel A. Enriquez et al.   MARINE AND PETROLEUM GEOLOGY

Molecular simulation of benzene adsorption on different activated carbon under different temperatures

(2020) Shi Li et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Nanoscale Pore Structure Characteristics of Deep Coalbed Methane Reservoirs and Its Influence on CH4 Adsorption in the Linxing Area, Eastern Ordos Basin, China

(2020) Xiang-Dong Gao et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Adsorption Mechanism of CO2/CH4 in Kaolinite Clay: Insight from Molecular Simulation

(2019) Wenning Zhou et al.   ENERGY & FUELS

Molecular simulation of adsorption of gas in coal slit model under the action of liquid nitrogen

(2019) Shu-Gang Li et al.   FUEL

Assessing relationships between self-diffusion coefficient and viscosity in Ni-Al alloys based on the pair distribution function

(2019) Qi-Long Cao et al.   JOURNAL OF APPLIED PHYSICS

Dynamic mechanical characteristics and fracture mechanism of gas-bearing coal based on SHPB experiments

(2019) Xiangguo Kong et al.   THEORETICAL AND APPLIED FRACTURE MECHANICS

Multi-component gas mixture transport through porous structure of coal

(2018) Karolina Wojtacha-Rychter et al.   FUEL

Temperature effect on gas adsorption capacity in different sized pores of coal: Experiment and numerical modeling

(2018) Yu Liu et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

CO 2 -ECBM in coal nanostructure: Modelling and simulation

(2018) Yingfeng Sun et al.   Journal of Natural Gas Science and Engineering

Prediction of phase equilibrium of methane hydrate below 272.2 K based on different equations of state

(2018) Siguang Li et al.   FLUID PHASE EQUILIBRIA

Influence of surfactant for improving dewatering of brown coal: A comparative experimental and MD simulation study

(2018) Xiaofang You et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Accurate van der Waals force field for gas adsorption in porous materials

(2017) Lei Sun et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Energy analysis on Coalbed Methane (CBM) coupled power systems

(2017) Nirmal Mallick et al.   Journal of CO2 Utilization

Molecular simulation of CH 4 , CO 2 , H 2 O and N 2 molecules adsorption on heterogeneous surface models of coal

(2016) Xiao-Qiang Liu et al.   APPLIED SURFACE SCIENCE

Adsorption behavior of carbon dioxide and methane in bituminous coal: A molecular simulation study

(2016) Jing You et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

Adsorption of carbon dioxide, methane, and their mixture by montmorillonite in the presence of water

(2016) Ahmad Kadoura et al.   MICROPOROUS AND MESOPOROUS MATERIALS

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

Pore characteristics of Wilcox Group Coal, U.S. Gulf Coast Region: Implications for the occurrence of coalbed gas

(2015) Sharon M. Swanson et al.   INTERNATIONAL JOURNAL OF COAL GEOLOGY

A force field for tricalcium aluminate to characterize surface properties, initial hydration, and organically modified interfaces in atomic resolution

(2014) Ratan K. Mishra et al.   DALTON TRANSACTIONS

Multiphase Analysis for High-Pressure Adsorption of CO2/Water Mixtures on Wet Coals

(2012) Sayeed A. Mohammad et al.   ENERGY & FUELS

The molecular representations of coal – A review

(2011) Jonathan P. Mathews et al.   FUEL

Variations in pore characteristics in high volatile bituminous coals: Implications for coal bed gas content

(2008) Maria Mastalerz et al.   INTERNATIONAL JOURNAL OF COAL GEOLOGY

On the Henry constant and isosteric heat at zero loading in gas phase adsorption

(2008) D.D. Do et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE