Monte Carlo simulation of diblock copolymer microphases by means of a fast off-lattice model

被引：0

作者：

Besold, G. ^{[1
,2
]}

Hassager, O. ^{[2
]}

Mouritsen, O.G. ^{[1
]}

机构：

[1] Memb. and Statistical Physics Group, Department of Chemistry, Technical University of Denmark, DTU 207, DK-2800 Lyngby, Denmark

[2] Department of Chemical Engineering, Danish Polymer Centre, Technical University of Denmark, DTU 229, DK-2800 Lyngby, Denmark

来源：

Computer Physics Communications | 1999年 / 121卷

关键词：

Computer simulation - Conformations - Mathematical models - Molecular structure - Molten materials - Monte Carlo methods;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

We present a mesoscopic off-lattice model for the simulation of diblock copolymer melts by Monte Carlo techniques. A single copolymer molecule is modeled as a discrete Edwards chain consisting of two blocks with vertices of type A and B, respectively. The volume interaction is formulated in terms of coarse-grained densities of the A and B vertices. The model allows the study of equilibrium conformational properties of diblock copolymer microphases for sufficiently large system sizes.

引用

页码：542 / 544