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Alternative TitleMolecular Dynamics Simulation of Methane Hydrate Replacement With Carbon Dioxide in Aqueous NaCl Solutions
易莉芝1,2; 梁德青1,2; 周雪冰1,2
Source Publication工程热物理学报
Cooperation Status国内
AbstractThe process of methane hydrate replacement with carbon dioxide in aqueous NaCl solutions is investigated using molecule dynamics simulation.The results show that at the beginning of the simulations,the cages near the hydrate/solution interface distort in
Other Abstract本文采用分子动力学方法,研究NaCl溶液中CO2置换CH4水合物的过程。结果表明,模拟开始时,在Na+、Cl-离子作用下水合物/溶液相界面处CH4水合物笼子扭曲形成裂孔,CO2直接置换CH4水合物中CH4,裂孔较大时,CO2-CH4分子间发生多次置换;从笼中被置换出的CH4分子在NaCl溶液中容易聚集成气泡,水合物相和溶液相形成CH4浓度梯度,水合物开始发生分解;随着较多的CO2分子进入水合物相中,界面处形成的CH4-CO2混合水合物较为稳定,阻碍了进一步置换。
Keyword水合物 置换 分子动力学模拟
Indexed ByCSCD ; SCI
Funding Organization国家自然科学基金项目(No.51176192);广东省自然科学基金项目(No.2015A030310422)
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Document Type期刊论文
Affiliation1.中国科学院广州能源研究所广州天然气水合物中心,广州 510640
2.中国科学院天然气水合物重点实验室,广州 510640
First Author Affilication天然气水合物
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易莉芝,梁德青,周雪冰. NaCl溶液中CO2置换CH4水合物的分子动力学模拟[J]. 工程热物理学报,2016(7):1383-1387.
APA 易莉芝,梁德青,&周雪冰.(2016).NaCl溶液中CO2置换CH4水合物的分子动力学模拟.工程热物理学报(7),1383-1387.
MLA 易莉芝,et al."NaCl溶液中CO2置换CH4水合物的分子动力学模拟".工程热物理学报 .7(2016):1383-1387.
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