Microcanonical analysis of adsorption of homopolymer chain on a surface

被引：15

作者：

Chen, Tao ^{[1
]}

Wang, Lei ^{[1
]}

Lin, Xiangsong ^{[1
]}

Liu, Yuan ^{[1
]}

Liang, Haojun ^{[1
]}

机构：

[1] Univ Sci & Technol China, CAS Key Lab Soft Matter Chem, Hefei Natl Lab Phys Sci Microscale, Dept Polymer Sci & Engn, Hefei 230026, Anhui, Peoples R China

来源：

JOURNAL OF CHEMICAL PHYSICS | 2009年 / 130卷 / 24期

基金：

中国国家自然科学基金;

关键词：

adsorption; entropy; Monte Carlo methods; phase transformations; polymers; specific heat; DYNAMIC PROPERTIES; POLYMERS; SIMULATIONS; COEXISTENCE; COPOLYMERS; TRANSITION; DIFFUSION; SYSTEMS; CLUSTER; MODEL;

D O I：

10.1063/1.3157255

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The adsorption process of a homopolymer chain nongrafted on an attractive surface is numerically investigated using replica-exchange multicanonical Monte Carlo simulation. Based on the microcanonical analysis, the microcanonical entropy in the adsorption transition shows convex features. Correspondingly, with the coexistence of two phases, negative specific heat is also observed in the region, implying first-orderlike transition. The origin of the negative specific heat is due to the nonextensitivity of the energy in the system. This adsorption process has some similarities to the nucleation and growth mechanism in the crystalline process. Further study reveals that the transition type, either first- or second-orderlike, during chain adsorption is strongly dependent on the chain length, interactions among segments, whether chain grafted on the surface, and force upon segments imposed by surface.

引用

页数：6

共 49 条

[1] Surface-induced changes in protein adsorption and implications for cellular phenotypic responses to surface interaction [J].