| Item type |
紀要論文 / Departmental Bulletin Paper(1) |
| 公開日 |
2007-03-07 |
| タイトル |
|
|
タイトル |
Molecular Dynamics Simulation of Single Particle Dynamics of Tetrachloromethane over the Wide Temperature Range |
| 言語 |
|
|
言語 |
eng |
| 著者 |
Nakagawa, Tetsuo
Urakawa, Hiroshi
Kajiwara, Kanji
Hayashi, Soichi
|
| 抄録 |
|
|
内容記述タイプ |
Abstract |
|
内容記述 |
A molecular dynamics (MD) simulation, which includes all degrees of freedom of atomic motion, has been performed for liquid tetrachloromethane (CCl4) over the wide temperature range from 261.26 (near melting point) to 557.43 K (near critical temperature). The translational diffusion coefficient D of the molecular center-of-mass and first and second rank reorientational correlation times 〓1R(l = 1, 2) of the unit vector along the C-C1 axes are simulated at four temperatures. The simulated activation energies Ea values for both D and 〓2R are in better agreement with the experimental ones than our previous simulated ones, and it has been found that our simulation model is reasonable and well reproduced in the real liquid CCl4. |
| 書誌情報 |
群馬大学教育学部紀要. 自然科学編
巻 49,
p. 117-127,
発行日 2001
|
| ISSN |
|
|
収録物識別子タイプ |
ISSN |
|
収録物識別子 |
0017-5668 |
| 書誌レコードID |
|
|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AN00068497 |
| フォーマット |
|
|
内容記述タイプ |
Other |
|
内容記述 |
application/pdf |
| 資源タイプ |
|
|
資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
|
資源タイプ |
departmental bulletin paper |
| 出版者 |
|
|
出版者 |
群馬大学教育学部 |
| 資源タイプ |
|
|
内容記述タイプ |
Other |
|
内容記述 |
Departmental Bulletin Paper |
| 更新日 |
|
|
日付 |
2017-03-27 |
|
日付タイプ |
Created |
ares049117.pdf (293.7 kB)
