Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate
文献类型：期刊论文
| 作者 | Zhu, JL ; Du, SY ; Yu, XH ; Zhang, JZ ; Xu, HW ; Vogel, SC ; Germann, TC ; Francisco, JS ; Izumi, F ; Momma, K ; Kawamura, Y ; Jin, CQ ; Zhao, YS |
| 刊名 | NATURE COMMUNICATIONS
 |
| 出版日期 | 2014 |
| 卷号 | 5 |
| ISSN号 | 2041-1723 |
| 通讯作者 | Yu, XH (reprint author), Los Alamos Natl Lab, LANSCE, POB 1663, Los Alamos, NM 87545 USA. |
| 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. |
| 资助信息 | Los Alamos National Laboratory - Los Alamos National Security LLC under DOE [DE-AC52-06NA25396]; US Department of Energy's Office of Basic Energy Sciences; Institute of Physics, Chinese Academy of Sciences (IOPCAS) - CAS project [KJCX2-YW-W26, XDB07000000]; High Pressure Science and Engineering Center (HiPSEC), UNLV; National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Cooperative Agreement [DE-NA0001982] |
| 语种 | 英语 |
| 公开日期 | 2015-04-14 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/59385]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhu, JL,Du, SY,Yu, XH,et al. Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate[J]. NATURE COMMUNICATIONS,2014,5. |
| APA | Zhu, JL.,Du, SY.,Yu, XH.,Zhang, JZ.,Xu, HW.,...&Zhao, YS.(2014).Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate.NATURE COMMUNICATIONS,5. |
| MLA | Zhu, JL,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：物理研究所
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