DISTRIBUTION FUNCTION OF THE END-TO-END VECTOR FOR SHORT POLYMER-CHAINS

被引:19
作者
FREIRE, JJ [1 ]
RODRIGO, MM [1 ]
机构
[1] UNIV ALCALA HENARES,FAC CIENCIAS,DEPT QUIM FIS,ALCALA DE HENARES,SPAIN
关键词
D O I
10.1063/1.439162
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
A method is presented for the evaluation of the end-to-end vector distribution function for short polymer chains. The method is based on the expansion of this quantity in terms of a spherical harmonic series and is related with a very efficient algorithm recently proposed by Fixman et al. for the calculation of high moments. Numerical results are reported for a rotational isomeric representation of short polymethylene chains. The results are compared to those obtained earlier by other authors with an alternative procedure and the advantages of the new scheme are stressed. © 1980 American Institute of Physics.
引用
收藏
页码:6376 / 6381
页数:6
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