Stretching of a Semiflexible Chain Composed of Elastic Bonds

被引:3
作者
Balabaev, N. K. [1 ]
Borodin, I. P. [2 ]
Khazanovich, T. N. [3 ]
机构
[1] Russian Acad Sci, Inst Math Problems Biol, Pushchino 142290, Moscow Oblast, Russia
[2] Kostroma State Technol Univ, Kostroma 156005, Russia
[3] Russian Acad Sci, Semenov Inst Chem Phys, Moscow 119991, Russia
基金
俄罗斯基础研究基金会;
关键词
DYNAMICS;
D O I
10.1134/S0965545X1006012X
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
We study the extension of semiflexible (persistent) polymer chains composed of elastic bonds under the action of forces applied to their ends. For a given discrete model of a chain, the effective potential energy includes three components: the energy of bonds in the external dipole field, the energy of elastic deformation of bonds, and the energy of bending, which depends on the angles between neighboring bonds. The extension/contraction modulus of bonds is high but finite. To calculate the relative extension and its variance, the variational method for finding the maximum eigenvalue of the transfer operator in the space of orientations of bonds is used. For chains composed of more than ten bonds, the results appear to approach the data of simulation of chain extension by the collisional molecular dynamics method. Two proposed extension-force dependences are compared with the computer experiment, and this comparison makes it possible to define the limits of their applicability.
引用
收藏
页码:655 / 661
页数:7
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