KINEMATICS OF POLYMER-CHAINS WITH FREELY ROTATING BONDS IN A RESTRICTIVE ENVIRONMENT .1. THEORY

被引:24
作者
BAHAR, I
ERMAN, B
MONNERIE, L
机构
[1] BOGAZICI UNIV,SCH ENGN,ISTANBUL,TURKEY
[2] TUBITAK,ADV POLYMER MAT RES CTR,ISTANBUL,TURKEY
[3] ECOLE SUPER PHYS & CHIM IND,PCSM,F-75231 PARIS 05,FRANCE
关键词
D O I
10.1021/ma00049a030
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
A mathematical formulation is developed for the study of the kinematics or geometry of motion of polymer chains with freely rotating bonds. The chains are assumed to be in a dense continuous medium constraining the spatial displacements of atoms. The basic postulate of the proposed model is that, following any perturbation of an equilibrium configuration, the atoms rearrange cooperatively in space so as to minimize their overall square displacements. This postulate is equivalent to minimizing the energy spent against the surroundings during the motion of the chain from one configuration to another. The present formulation allows for the calculation of the changes in all of the degrees of freedom of the chain, internal and external, in response to a change in the dihedral angle of an internal bond. By the use of Lagrange multipliers, the formulation may be generalized to study the results of perturbations on a chain subject to other types of external constraints, such as uniaxial deformation.
引用
收藏
页码:6309 / 6314
页数:6
相关论文
共 22 条
[1]   BROWNIAN DYNAMICS SIMULATIONS OF LOCAL MOTIONS IN POLYISOPRENE [J].
ADOLF, DB ;
EDIGER, MD .
MACROMOLECULES, 1991, 24 (21) :5834-5842
[2]   COOPERATIVITY OF LOCAL CONFORMATIONAL DYNAMICS IN SIMULATIONS OF POLYISOPRENE AND POLYETHYLENE [J].
ADOLF, DB ;
EDIGER, MD .
MACROMOLECULES, 1992, 25 (03) :1074-1078
[3]   SEGMENTAL MOTIONS OF CIS-POLYISOPRENE IN THE BULK STATE - INTERPRETATION OF DIELECTRIC-RELAXATION DATA [J].
BAHAR, I ;
ERMAN, B ;
KREMER, F ;
FISCHER, EW .
MACROMOLECULES, 1992, 25 (02) :816-825
[4]  
DELABATIE RD, 1989, MACROMOLECULES, V22, P2617
[5]  
Doi M., 1986, THEORY POLYM DYNAMIC
[6]  
ERMAN B, IN PRESS POLYM BLEND
[7]   CLASSICAL STATISTICAL-MECHANICS OF CONSTRAINTS - THEOREM AND APPLICATION TO POLYMERS [J].
FIXMAN, M .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1974, 71 (08) :3050-3053
[8]   DYNAMICS OF STIFF POLYMER-CHAINS .1. [J].
FIXMAN, M ;
KOVAC, J .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :4939-4949
[9]  
Flory P.J., 1989, STAT MECH CHAIN MOL
[10]   THEORY OF KINETICS OF CONFORMATIONAL TRANSITIONS IN POLYMERS [J].
HELFAND, E .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (11) :4651-+