Hanke F, Kreuzer H J
Department of Physics and Atmospheric Science, Dalhousie University, B3H 3J5 Halifax, NS, Canada.
Eur Phys J E Soft Matter. 2007 Feb;22(2):163-9. doi: 10.1140/epje/e2007-00027-8. Epub 2007 Mar 22.
An extension of the two-state Freely Jointed Chain model is presented in which the discrete energies of the two conformers are replaced by continuous functions of the conformer length. The statistical mechanics is initially developed in the Gibbs ensemble and leads to a conformational multi-state model. This is used to fit the equilibrium force-extension curve for Dextran. The continuous model also allows the use of Transfer Matrix methods to calculate all statistical properties in the Helmholtz ensemble, including thermal fluctuations. The latter are obtained with near perfect agreement to experiment.
提出了双态自由连接链模型的一种扩展，其中两个构象异构体的离散能量被构象异构体长度的连续函数所取代。统计力学最初是在吉布斯系综中发展起来的，并导致了一种构象多态模型。这被用于拟合葡聚糖的平衡力-伸长曲线。连续模型还允许使用转移矩阵方法来计算亥姆霍兹系综中的所有统计性质，包括热涨落。后者与实验结果几乎完全吻合。
