Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate
文献类型：期刊论文
| 作者 | Zhu, Jinlong ; Du, Shiyu ; Yu, Xiaohui ; Zhang, Jianzhong ; Xu, Hongwu ; Vogel, Sven C. ; Germann, Timothy C. ; Francisco, Joseph S. ; Izumi, Fujio ; Momma, Koichi ; Kawamura, Yukihiko ; Jin, Changqing ; Zhao, Yusheng |
| 刊名 | NATURE COMMUNICATIONS
 |
| 出版日期 | 2014 |
| 卷号 | 5 |
| 中文摘要 | Carbon monoxide clathrate hydrate is a potentially important constituent in the solar system. In contrast to the well-established relation between the size of gaseous molecule and hydrate structure, previous work showed that carbon monoxide molecules preferentially form structure-I rather than structure-II gas hydrate. Resolving this discrepancy is fundamentally important to understanding clathrate formation, structure stabilization and the role the dipole moment/molecular polarizability plays in these processes. Here we report the synthesis of structure-II carbon monoxide hydrate under moderate high-pressure/low-temperature conditions. We demonstrate that the relative stability between structure-I and structure-II hydrates is primarily determined by kinetically controlled cage filling and associated binding energies. Within hexakaidecahedral cage, molecular dynamic simulations of density distributions reveal eight low-energy wells forming a cubic geometry in favour of the occupancy of carbon monoxide molecules, suggesting that the carbon monoxide-water and carbon monoxide-carbon monoxide interactions with adjacent cages provide a significant source of stability for the structure-II clathrate framework. |
| 公开日期 | 2015-09-20 |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/11837]  |
| 专题 | 宁波材料技术与工程研究所_2014专题 |
| 推荐引用方式 GB/T 7714 | Zhu, Jinlong,Du, Shiyu,Yu, Xiaohui,et al. Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate[J]. NATURE COMMUNICATIONS,2014,5. |
| APA | Zhu, Jinlong.,Du, Shiyu.,Yu, Xiaohui.,Zhang, Jianzhong.,Xu, Hongwu.,...&Zhao, Yusheng.(2014).Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate.NATURE COMMUNICATIONS,5. |
| MLA | Zhu, Jinlong,et al."Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate".NATURE COMMUNICATIONS 5(2014). |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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