LOWER BOUNDS FOR THE INTRINSIC-VISCOSITY OF FLEXIBLE POLYMERS - COMPARISON WITH BROWNIAN DYNAMICS SIMULATION RESULTS FOR DIFFERENT TYPES OF CHAINS

被引:19
作者
FREIRE, JJ
REY, A
机构
[1] Dpto. de Quimica Fisicam Facultad de Ciencias Quimicas, Universidad Complutense
关键词
D O I
10.1016/0010-4655(90)90045-3
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Different numerical approaches (Brownian dynamics, and Monte Carlo upper- and lower-bound methods) to introduce fluctuating hydrodynamic interactions in calculations for the intrinsic viscosity of flexible chains are briefly reviewed. The scheme of a program to perform the lower-bound calculations is described and some results are reported to stress the computational capability of this method in comparison with the other alternatives and also to underline the important differences with respect to the values obtained with the standard theory where these hydrodynamic interactions are preaveraged.
引用
收藏
页码:297 / 303
页数:7
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