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Monte Carlo simulation on thermodynamic properties of a heteropolymer chain
Wang, YU; Chen, HN; Liang, HJ
2001-08-22
Source PublicationJOURNAL OF CHEMICAL PHYSICS
ISSN0021-9606
Volume115Issue:8Pages:3951-3956
AbstractThe equilibrium thermodynamic properties of a heteropolymer chain of 4 hydrophobic and 26 hydrophilic segments with Lennard-Jones interaction among segments were studied by multicanonical Monte Carlo methods in a three-dimensional off-lattice model. It is approved that the multicanonical algorithms provide us a practical way to accurately calculate thermodynamic properties of the chain at lower temperature. The collapse transition of a heteropolymer chain cooled from higher temperature is able to be separated in three steps: First, the hydrophobic segments associate together to form a hydrophobic core; then, the hydrophilic segments collapse on the surface of the core; finally, the heteropolymer chain reorganizes into its lowest energy state. (C) 2001 American Institute of Physics.
Indexed BySCI
Language英语
WOS IDWOS:000170396300058
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:16[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/77094
Collection中国科学院化学研究所
Corresponding AuthorLiang, HJ
Affiliation1.Univ Sci & Technol China, Dept Polymer Sci & Engn, Open Lab Bond Select Chem, Hefei 230026, Anhui, Peoples R China
2.Jilin Univ, Dept Chem, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China
Recommended Citation
GB/T 7714
Wang, YU,Chen, HN,Liang, HJ. Monte Carlo simulation on thermodynamic properties of a heteropolymer chain[J]. JOURNAL OF CHEMICAL PHYSICS,2001,115(8):3951-3956.
APA Wang, YU,Chen, HN,&Liang, HJ.(2001).Monte Carlo simulation on thermodynamic properties of a heteropolymer chain.JOURNAL OF CHEMICAL PHYSICS,115(8),3951-3956.
MLA Wang, YU,et al."Monte Carlo simulation on thermodynamic properties of a heteropolymer chain".JOURNAL OF CHEMICAL PHYSICS 115.8(2001):3951-3956.
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