Effects of different concentrations of methanol on the decomposition of methane hydrate: insights from molecular dynamics simulations
文献类型：期刊论文
| 作者 | Liu, Zilong1,2,3; Shi, Di1,2,3; Hei, Yanxiao1; Sun, Xiaoliang4; Chen, Junqing1,3; Lv, Qichao5; Li, Xue1; Hou, Xiaonan1; Xiao, Yufei1 |
| 刊名 | JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
 |
| 出版日期 | 2023-05-01 |
| 卷号 | 24页码:7283-7290 |
| 关键词 | Methane hydrate Methanol concentration Decomposition Molecular dynamics |
| ISSN号 | 2238-7854 |
| DOI | 10.1016/j.jmrt.2023.05.045 |
| 通讯作者 | Liu, Zilong(zlliu89@gmail.com) |
| 英文摘要 | As one of the most promising alternative energy, natural gas hydrate has aroused much attention owing to its controllable exploitation with the aid of chemical injections. Although alcohols are commonly used as promoters for hydrate decomposition, few studies have been carried out to investigate the effect of different concentrations of methanol on methane hydrate decomposition at a molecular level. For the first time, we systematically combined the parameters of angular order parameter (AOP), radial distri-bution function (RDF), and mean square displacement (MSD) to reveal the role of methanol in the decomposition mechanism of methane hydrates through the molecular dynamics approach. The results demonstrated that methanol concentration had an optimal value for hydrate decomposition, which was 20% methanol solution for the best efficiency for the hydrate decomposition and had been examined by analyzing the parameter of AOP. This can be attributed to the promotion effect of methanol on the deconstruction of the hydrogen bond networks of water molecules and the inhibition effect of methanol on the mass transfer effect of methane diffusion, both of which determined the decomposition of methane hydrates. These effects were further quantitatively evaluated by the structural parameters of RDF and MSD. The obtained results reveal the important influence of methanol concentrations on methane hydrates decomposition on molecular scale, and provide useful guidelines for highly efficient exploitation of natural gas hydrate reservoir. & COPY; 2023 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). |
| WOS关键词 | INTERMOLECULAR POTENTIAL FUNCTIONS ; CRYSTAL-GROWTH ; DISSOCIATION ; MODEL ; DEPRESSURIZATION ; INHIBITORS ; RECOVERY |
| 资助项目 | Key Laboratory of Gas Hydrate, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences[E229kf16] ; Science Foundation of China University of Petroleum, Beijing[2462020BJRC007] ; Science Foundation of China University of Petroleum, Beijing[2462022YXZZ007] ; State Key Laboratory of Petroleum Resources and Prospecting, China University of Petroleum[PRP/DX-2216] |
| WOS研究方向 | Materials Science ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:001043295700001 |
| 出版者 | ELSEVIER |
| 资助机构 | Key Laboratory of Gas Hydrate, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences ; Science Foundation of China University of Petroleum, Beijing ; State Key Laboratory of Petroleum Resources and Prospecting, China University of Petroleum |
| 源URL | [http://ir.giec.ac.cn/handle/344007/39168]  |
| 专题 | 中国科学院广州能源研究所 |
| 通讯作者 | Liu, Zilong |
| 作者单位 | 1.China Univ Petr, Coll Sci, Basic Res Ctr Energy Interdisciplinary, Beijing Key Lab Opt Detect Technol Oil & Gas, Beijing 102249, Peoples R China 2.Chinese Acad Sci, Guangzhou Inst Energy Convers, Key Lab Gas Hydrate, Guangzhou 510640, Peoples R China 3.China Univ Petr, State Key Lab Petr Resources & Prospecting, Beijing, Peoples R China 4.CNPC Engn Technol R&D Beijing Petr Machinery Co Lt, Beijing 102206, Peoples R China 5.China Univ Petr, Unconvent Petr Res Inst, Beijing 102249, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Zilong,Shi, Di,Hei, Yanxiao,et al. Effects of different concentrations of methanol on the decomposition of methane hydrate: insights from molecular dynamics simulations[J]. JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,2023,24:7283-7290. |
| APA | Liu, Zilong.,Shi, Di.,Hei, Yanxiao.,Sun, Xiaoliang.,Chen, Junqing.,...&Xiao, Yufei.(2023).Effects of different concentrations of methanol on the decomposition of methane hydrate: insights from molecular dynamics simulations.JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T,24,7283-7290. |
| MLA | Liu, Zilong,et al."Effects of different concentrations of methanol on the decomposition of methane hydrate: insights from molecular dynamics simulations".JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 24(2023):7283-7290. |
入库方式： OAI收割
来源：广州能源研究所
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