用分子动力学模拟甲烷水合物热激法分解
文献类型：期刊论文
| 作者 | 陈朝阳 ; 李刚; 李小森; 颜克凤
|
| 刊名 | 物理学报
 |
| 出版日期 | 2007 |
| 卷号 | 56期号:8页码:4994-5002 |
| 关键词 | 甲烷水合物 分子动力学模拟 热激法 methane hydrate molecular dynamics simulation thermal stimulation method |
| 其他题名 | Molecular dynamics simulation of methane hydrate dissociation by thermal stimulation |
| 通讯作者 | 李小森 |
| 合作状况 | 国内 |
| 中文摘要 | 用分子动力学模拟方法研究甲烷水合物热激法分解，系统地研究注入340 K液态水的结构Ⅰ型甲烷水合物的分解机理.模拟显示水合物表层水分子与高温液态水分子接触获得热能，分子运动激烈，摆脱水分子间的氢键束缚，笼状结构被破坏.甲烷分子获得热能从笼中挣脱，向外体系扩散.热能通过分子碰撞从外层传递给内层水分子，水合物逐层分解.对比注入277K液态水体系模拟结果，得出热激法促进水合物分解.
Thermal stimulation on dissociation of methane hydrate was investigated with molecular dynamics simulation. The dissociation mechanism of methane hydrate with structure Ⅰ was investigated systematically by injecting heated, liquid water of 340 K. The results showed that when the water molecules on hydrate surface are made in contact with high temperature liquid water, they obtain heat energy, and with the obtained energy the water molecules move intensively, breaking the hydrogen bond between water molecules, and destroy the clathrate structure. In addition, methane molecules that have obtained heat energy, break away from the clathrate and diffuse into liquid. Due to heat energy being transferred into inside layer from outside layer through collision between molecules, the hydrate is dissociated layer by layer. Comparing the effects of liquid water with different temperatures of 340 and 277 K on hydrate dissociation, it is concluded that the thermal stimulation promotes dissociation of the hydrate. |
| 收录类别 | SCI ; EI ; CSCD |
| 资助信息 | 中国科学院“百人计划”;广东省自然科学基金（批准号：06020461） |
| 语种 | 中文 |
| CSCD记录号 | CSCD:2855033 |
| 公开日期 | 2009-12-07 |
| 源URL | [http://ir.giec.ac.cn/handle/344007/208]  |
| 专题 | 中国科学院广州能源研究所 天然气水合物开采技术与综合利用实验室 |
| 推荐引用方式 GB/T 7714 | 陈朝阳,李刚,李小森,等. 用分子动力学模拟甲烷水合物热激法分解[J]. 物理学报,2007,56(8):4994-5002. |
| APA | 陈朝阳,李刚,李小森,&颜克凤.(2007).用分子动力学模拟甲烷水合物热激法分解.物理学报,56(8),4994-5002. |
| MLA | 陈朝阳,et al."用分子动力学模拟甲烷水合物热激法分解".物理学报 56.8(2007):4994-5002. |
入库方式： OAI收割
来源：广州能源研究所
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