摘要：Shale gas serves as a significant strategic successor resource for future oil and gas reserves and production in China. Thus, a profound understanding of the adsorption mechanism of shale gas in shale reservoirs is crucial to accurately predict and evaluate shale gas reserves. In this study, we utilized two simulation methods, molecular dynamics simulation and Giant Canonical Monte Carlo simulation to examine the adsorption characteristics of kerogen under varying temperature and pressure conditions. We compared the results under identical temperature and pressure conditions for different mineral–kerogen composite models. Moreover, we examined the effects of temperature, pressure, and mineral species on the kerogen adsorption mechanism. The results indicate that shale formations with high organic matter content and a substantial proportion of non-clay inorganic minerals, as well as those subjected to higher temperature and pressure conditions than the shallow layer, possess a greater capacity to accommodate shale gas. This study examined the adsorption mechanism of methane in shale gas using different mineral–kerogen composite models. The findings of this study provide more accurate guidance and support for efficient development of shale gas. ? 2025 The Authors

ISSN号：1672-5107

卷、期、页：卷22期6页2247-2261

发表日期：2025-06-01

影响因子：0.000000

期刊分区（SCI为中科院分区）：一区

收录情况：SCI（科学引文索引印刷版）,CSCD（中国科技引文期刊）（核心）,EI（工程索引）,SCIE（科学引文索引网络版）

发表期刊名称：Petroleum Science

通讯作者：王玉莹,杨晓斌,李冰瑶,牛欣怡,马桂丽,施砍园

第一作者：陈君青,姜福杰,张潇,庞宏,陈冬霞

论文类型：期刊论文

论文概要：王玉莹,陈君青,姜福杰,杨晓斌,张潇,庞宏,陈冬霞,李冰瑶,牛欣怡,马桂丽,施砍园，Differential adsorption characteristics in the composite model of deep marine shale: Implication from molecular dynamics simulations，Petroleum Science，2025，卷22期6页2247-2261

论文题目：Differential adsorption characteristics in the composite model of deep marine shale: Implication from molecular dynamics simulations