编号：CDUT-2023-25

标题：Insights into shale gas adsorption and an improved method for characterizing adsorption isotherm from molecular perspectives

入藏号：WOS:000772755500004

中国科学院文献情报中心期刊分区：工程技术1区/TOP （2022）

本校作者：胡笑非; 李瑞雪; 邓虎成

来源出版物： CHEMICAL ENGINEERING JOURNAL  卷: 431  文献号: 134183

出版年：2022

第一地址： 成都理工大学

关键词： Shale gas；Multiple-size inter-connected model；Organic and inorganic media；Molecular simulation；Error calibration

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摘要：Gas adsorption behavior in shale complex porous media is of great importance to gas in place (GIP) evaluationand exploration. At present, the mechanism of methane adsorption has not been adequately investigated inmulti-size nanoscale space via experimental and simulation methods. In this work, the specific multi-size interconnected pore models are proposed to study the adsorption isotherm and density profiles based on the veritablepore structure characterizations of shale samples. The grand canonical Monte Carlo (GCMC) simulations areutilized to give insight into methane adsorption behavior in organic matter and inorganic clay minerals withmulti-size pores at reservoir conditions. Based on the proposed models, the effects on adsorption behaviors ofmethane molecules under the simultaneous action of diverse media surfaces and variable pore sizes are carefullyexamined. In addition, the adsorbent-adsorbate interactions, which involve the cation exchange and the isostericheat variations with media surfaces, are carefully investigated to reveal complex adsorption behaviors in shalenanopores. Considering the identified factors influencing methane adsorption and the shortcomings of experimental test, an improved method for calibrating the gas adsorption isotherms in shale is proposed from a molecular perspective, which takes into account several factors, including i) the accessible volume of methanemolecules, ii) the pore size distribution in shale, and iii) the composition of organic matter and clay minerals. TheGCMC simulation results are integrated into the process of calibrating experimental results in a case study with ashale sample from the Longtan Formation in the Sichuan Basin, China. The findings of this study advance the indepth understanding of gas adsorption mechanisms in complex nanoporous structure and provide a reliableapproach to evaluate the GIP in shale.

文章链接地址: https://www.sciencedirect.com/science/article/pii/S1385894721057569?via%3Dihub