Molecular dynamics study on the phase diagrams of linear and branched chain molecules
文献类型：期刊论文
| 作者 | Ouyang, Wen-Ze1; Lu, Zhong-Yuan2; Sun, Zhao-Yan1; An, Li-Jia1 |
| 刊名 | CHEMICAL PHYSICS
 |
| 出版日期 | 2008-02-22 |
| 卷号 | 344期号:1-2页码:52-60 |
| 关键词 | Molecular Dynamics Simulation Topology Of Chain Molecules Phase Equilibrium |
| ISSN号 | 0301-0104 |
| DOI | 10.1016/j.chemphys.2007.11.004 |
| 英文摘要 | The particle transfer molecular dynamics is used to study the phase equilibria of linear and branched chain molecules. The scaling of the critical temperature versus chain length is obtained and the critical densities are found to decrease with increasing chain length, which are in agreement with the results of experiment and theory. The phase diagrams of the linear and the branched chain molecules nearly overlap with each other. Moreover, the radial distribution functions of linear and branched chain molecules in gas phase are very similar, but in the liquid phase, they are different for different kinds of chains. (c) 2007 Elsevier B.V. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000253623900005 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/63691]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Sun, Zhao-Yan |
| 作者单位 | 1.Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China 2.Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ouyang, Wen-Ze,Lu, Zhong-Yuan,Sun, Zhao-Yan,et al. Molecular dynamics study on the phase diagrams of linear and branched chain molecules[J]. CHEMICAL PHYSICS,2008,344(1-2):52-60. |
| APA | Ouyang, Wen-Ze,Lu, Zhong-Yuan,Sun, Zhao-Yan,&An, Li-Jia.(2008).Molecular dynamics study on the phase diagrams of linear and branched chain molecules.CHEMICAL PHYSICS,344(1-2),52-60. |
| MLA | Ouyang, Wen-Ze,et al."Molecular dynamics study on the phase diagrams of linear and branched chain molecules".CHEMICAL PHYSICS 344.1-2(2008):52-60. |
入库方式： OAI收割
来源：化学研究所
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