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Molecular dynamics study on the phase diagrams of linear and branched chain molecules
Ouyang, Wen-Ze1; Lu, Zhong-Yuan2; Sun, Zhao-Yan1; An, Li-Jia1
2008-02-22
Source PublicationCHEMICAL PHYSICS
ISSN0301-0104
Volume344Issue:1-2Pages:52-60
AbstractThe 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.
KeywordMolecular Dynamics Simulation Topology Of Chain Molecules Phase Equilibrium
DOI10.1016/j.chemphys.2007.11.004
Indexed BySCI
Language英语
WOS IDWOS:000253623900005
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/63692
Collection中国科学院化学研究所
Corresponding AuthorSun, Zhao-Yan
Affiliation1.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
Recommended Citation
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.
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