Molecular Simulation of Shale Gas Adsorption and Diffusion in Clay Nanopores

Molecular Simulation of Shale Gas Adsorption and Diffusion in Clay Nanopores

The present work aims to study the adsorption behavior and dynamical properties of CH4 in clay slit pore with or without cation exchange structures at sizes of 1.0 nm–4.0 nm using grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) methods. The adsorption isotherms of CH4 have been invest...

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Bibliographic Details
Main Authors: Hongguang Sui, Jun Yao, Lei Zhang
Format: Article
Language:English
Published: MDPI AG 2015-12-01
Series:Computation
Subjects:
methane
clay
adsorption
molecular simulation
diffusivity
Online Access:http://www.mdpi.com/2079-3197/3/4/687

Internet

http://www.mdpi.com/2079-3197/3/4/687

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