Monte Carlo simulation studies of polymer systems

被引:0
|
作者
Zifferer, G [1 ]
Petrik, T [1 ]
Neubauer, B [1 ]
Olaj, OF [1 ]
机构
[1] Univ Vienna, Inst Phys Chem, A-1090 Vienna, Austria
关键词
D O I
10.1002/1521-3900(200205)181:1<331::AID-MASY331>3.0.CO;2-6
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Polymers molecules in solution or melt are more or less flexible and continuously change their shape and size. Thus, characteristic proper-ties of the system fluctuate around statistical mean values which are dependent on the concentration of the solution, on the quality of the solvent used, and on the specific structure of the molecules, e.g. linear or star-branched. The most direct approach to these quantities on a molecular level are computer simulations. Due to restrictions of computer power fully atomistic simulations of macromolecules are presently still at the beginning but several arguments justify the use of simplified models. The most efficient way dealing with polymer systems are Monte Carlo simulations based on lattice chains, at least as long as static properties are of interest only. In the present paper a short introduction to the field is given and selected examples are presented in order to demonstrate the usefulness of these methods.
引用
收藏
页码:331 / 340
页数:10
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