Knowledge Management System Of Institute of Chemistry，CAS
Adsorption and collapse of a polymer chain modeled by a self-avoiding walk on the cubic lattice | |
Li, XY; Li, X; Wu, DC; Zhao, DL | |
2001-10-01 | |
Source Publication | ACTA POLYMERICA SINICA |
ISSN | 1000-3304 |
Issue | 5Pages:618-624 |
Abstract | The thermodynamic properties of a polymer chain with a length of N = 100 near an adsorbed surface, modeled by a self-avoiding walk on the simple cubic lattice in addition to both the vertex-plane interaction energy epsilon (1) and the vertex-vertex interaction energy epsilon (2), were calculated by means of the multiple Markov chains method. These two interaction energy terms epsilon (1) and epsilon (2) were related to the vertex-plane interaction parameter alpha and the vertex-vertex interaction parameter beta. The statistical physical quantities obtained by Mont Carlo simulations include the free energy F-N (alpha, beta), the heat capacities partial derivative F-2(N) (alpha, beta)/partial derivative (2) alpha and partial derivative F-2(N) (alpha, beta)/partial derivative (2)beta, the mean number of visits per edge (m)/N, the mean number of contacts per edge (n)/N and the mean square z-component R-z(2) of the end-to-end distance. It suggests a new method to construct the alpha-beta phase diagram by structure parameters [m]/N, [n]/N and R-z(2) which is very similar to that obtained by the traditional method using peaks of the heat capacity. The alpha-beta phase diagrams indicated that there are four regions of phases, which are desorbed-expanded (DE), adsorbed-expanded (AE), desorbed-compact, (DC) and adsorbed-compact (AC) In both expanded phase and compact phase, there were adsorption transitions as the surface interaction increased. In both desorbed and adsorbed phases, there were collapse transitions as the nearest-neighbor interaction increased. It is also found that there are two triple points in the alpha-beta phase diagram, which represent the coexistance of the three phases AE-AC-DC and AE-DE-DC, respectively, and AE-DE-DC, respectively. |
Keyword | Self-avoiding Adsorption Collapse Nearest-neighbor Interacting Phases Diagram |
Indexed By | SCI |
Language | 英语 |
WOS ID | WOS:000171853600013 |
Publisher | SCIENCE PRESS |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://ir.iccas.ac.cn/handle/121111/76718 |
Collection | 中国科学院化学研究所 |
Corresponding Author | Li, XY |
Affiliation | 1.Sichuan Univ, Coll Text, Chengdu 610065, Peoples R China 2.Chinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100080, Peoples R China |
Recommended Citation GB/T 7714 | Li, XY,Li, X,Wu, DC,et al. Adsorption and collapse of a polymer chain modeled by a self-avoiding walk on the cubic lattice[J]. ACTA POLYMERICA SINICA,2001(5):618-624. |
APA | Li, XY,Li, X,Wu, DC,&Zhao, DL.(2001).Adsorption and collapse of a polymer chain modeled by a self-avoiding walk on the cubic lattice.ACTA POLYMERICA SINICA(5),618-624. |
MLA | Li, XY,et al."Adsorption and collapse of a polymer chain modeled by a self-avoiding walk on the cubic lattice".ACTA POLYMERICA SINICA .5(2001):618-624. |
Files in This Item: | ||||||
There are no files associated with this item. |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment