Molecular simulation study on the adsorption and storage behavior of CO2 in different matrix components of shale

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-07-25 DOI:10.1080/08927022.2024.2380750

Xudi Wu, Wei Liu, Shuoran Fu, Jian Ma, Jingyu Cao, Xiongfei Wang, Baolun Niu, Xiaopeng Lai

引用次数: 0

Abstract

This study investigates the adsorption and storage behaviour of CO2 in the different matrix components of shale based on a molecular simulation method. First, based on the Grand Canonical Monte Car...

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页岩不同基质成分中二氧化碳吸附与封存行为的分子模拟研究

本研究基于分子模拟方法研究了页岩不同基质成分中的二氧化碳吸附和封存行为。首先，基于大规范蒙特卡洛（Grand Canonical Monte Car...

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来源期刊

Molecular Simulation 化学-物理：原子、分子和化学物理

CiteScore

3.80

自引率

9.50%

发文量

128

审稿时长

3.1 months

期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.