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Conformational elasticity theory of chain molecules 被引量:1

Conformational elasticity theory of chain molecules
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摘要 This paper develops a conformational elasticity theory of chain molecules, which is based on three key points: (i) the molecular model is the rotational isomeric state (RIS) model; (ii) the conformational distribution function of a chain molecule is described by a function of two variables, the end-to-end distance of a chain conformation and the energy of the conformation; (iii) the rule of changes in the chain conformational states during deformation is that a number of chain conformations would vanish. The ideal deformation behavior calculated by the theory shows that the change in chain conformations is physically able to make the upward curvature of the stress-strain curve at the large-scale deformation of natural rubber. With the theory, different deformation behaviors between polymers with different chemical structures can be described, the energy term of the stress in the deformations can be predicted, and for natural rubber the fraction of the energy term is around 13%, coinciding with the experimental results. This paper develops a conformational elasticity theory of chain molecules, which is based on three key points: (ⅰ) the molecular model is the rotational isomeric state (RIS) model; (ⅱ) the conformational distribution function of a chain molecule is described by a function of two variables, the end-to-end distance of a chain conformation and the energy of the conformation; (ⅲ) the rule of changes in the chain conformational states during deformation is that a number of chain conformations would vanish. The ideal deformation behavior calculated by the theory shows that the change in chain conformations is physically able to make the upward curvature of the stress-strain curve at the large-scale deformation of natural rubber. With the theory, different deformation behaviors between polymers with different chemical structures can be described, the energy term of the stress in the deformations can be predicted, and for natural rubber the fraction of the energy term is around 13%, coinciding with the experimental results.
作者 杨小震
出处 《Science China Chemistry》 SCIE EI CAS 2001年第2期154-168,共15页 中国科学(化学英文版)
基金 the National Natural Science Foundation of China(Grant No. 29874035), 863 High Technology Project, Special Funds for Major State Basic Research Project (Grant No. G1999064800) and the National Basic Research Project--Macromolecular Condensed State.
关键词 CHAIN molecules conformational elasticity conformational DISTRIBUTION chain molecules conformational elasticity conformational distribution
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参考文献12

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二级参考文献2

  • 1钱人元,Macromol Chem Phys,1996年,197卷,2165页
  • 2吴大诚,高分子构象统计理论导引,1985年

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