A comprehensive review of molecular dynamics simulation on the replacement characteristics and mechanism of CO2-CH4 hydrate in porous media systems

IF 2.7 4区环境科学与生态学 Q3 ENERGY & FUELS

Greenhouse Gases: Science and Technology Pub Date : 2024-06-30 DOI:10.1002/ghg.2292

Xuemin Zhang, Tingting Huang, Tao Shan, Qing Yuan, Jinping Li, Qingbai wu, Peng Zhang

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Abstract

Natural gas hydrate (NGH), is a new green-sustainable energy source, and the process of recovering CH₄ from NGH by replacing CO₂ is regarded as an advantageous way to mine NGH. However, improving the replacement efficiency of CO₂-CH₄ hydrate is a critical problem in the CO₂ replacement mining process. The feasibility study of the replacement for CO₂-CH₄ hydrate, as well as the research status of the replacement characteristics for various situations, is examined in this review. Additionally, the microscopic mechanism of CO₂-CH₄ hydrate replacement in porous media is explored in detail. The basic molecular dynamic (MD) simulation method and primary influencing factors of CO₂-CH₄ hydrate replacement were summarized systematically. Finally, the shortcomings of MD simulation of CO₂-CH₄ hydrate replacement process in porous medium system and the future development direction are pointed out. The relevant results will offer helpful direction for future NGH exploitation. © 2024 Society of Chemical Industry and John Wiley & Sons, Ltd.

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多孔介质系统中 CO2-CH4 水合物置换特性与机理的分子动力学模拟综述

天然气水合物（NGH）是一种新型绿色可持续能源，通过替代 CO2 从 NGH 中回收 CH4 的工艺被认为是开采 NGH 的一种有利方法。然而，提高 CO2-CH4 水合物的置换效率是 CO2 置换开采过程中的一个关键问题。本综述探讨了 CO2-CH4 水合物置换的可行性研究以及各种情况下置换特性的研究现状。此外，还详细探讨了多孔介质中 CO2-CH4 水合物置换的微观机理。系统总结了基本的分子动力学 (MD) 模拟方法和 CO2-CH4 水合物置换的主要影响因素。最后，指出了多孔介质体系中 CO2-CH4 水合物置换过程 MD 模拟的不足之处和未来的发展方向。相关结果将为未来 NGH 的开发利用提供有益的指导。© 2024 化学工业学会和 John Wiley & Sons, Ltd. 保留所有权利。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Greenhouse Gases: Science and Technology ENERGY & FUELS-ENGINEERING, ENVIRONMENTAL

CiteScore

4.90

自引率

4.50%

发文量

审稿时长

3 months

期刊介绍： Greenhouse Gases: Science and Technology is a new online-only scientific journal dedicated to the management of greenhouse gases. The journal will focus on methods for carbon capture and storage (CCS), as well as utilization of carbon dioxide (CO2) as a feedstock for fuels and chemicals. GHG will also provide insight into strategies to mitigate emissions of other greenhouse gases. Significant advances will be explored in critical reviews, commentary articles and short communications of broad interest. In addition, the journal will offer analyses of relevant economic and political issues, industry developments and case studies. Greenhouse Gases: Science and Technology is an exciting new online-only journal published as a co-operative venture of the SCI (Society of Chemical Industry) and John Wiley & Sons, Ltd