Rouse和Zimm模型的Rouse模式解的虚假性
Falsity of the Rouse Mode Solution of the Rouse and Zimm Models
摘要:
Rouse(J.Chem.Phys.21,1272(1953))和Zimm(J.Chem.Phys.24,269(1956))对聚合物链动力学的处理显示出包含基本的数学错误,这导致它们失去了在粘度和介电弛豫中占主导地位的零弛豫速率、全身旋转运动。因此,这些模型经常引用的模式解决方案是定性不正确的。通过与Wilson-Decius-Cross方法对多原子分子振动模的处理比较,定性地揭示了Rouse模型解的正确形式。
英文摘要:
The Rouse (J. Chem. Phys. 21, 1272 (1953)) and Zimm (J. Chem. Phys. 24}, 269 (1956)) treatments of the dynamics of a polymer chain are shown to contain a fundamental mathematical error, which causes them to lose the zero-relaxation-rate, whole-body rotation motions dominant in viscosity and dielectric relaxation. As a result, the oft-cited mode solutions for these models are qualitatively incorrect. Comparison with the Wilson-Decius-Cross treatment of vibrational modes of polyatomic molecules reveals qualitatively the correct form for the solutions to the Rouse model.
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