论文标题
具有可扩展链接的自由接合连锁模型
Freely jointed chain models with extensible links
论文作者
论文摘要
单个聚合物链的机械响应的分析关系对于分子和连续尺度上的建模目的都是有价值的。这些关系可以使用统计热力学和理想化的单链模型（例如自由接头链模型）获得。为了包括键拉伸，可以使自由接头链模型中的刚性链路可扩展，但这几乎总是使模型在分析上棘手。在这里，使用渐近正确的统计热力学理论来开发该模型的单链机械响应的分析近似。这些近似值的精度使用多个链接势能函数证明。这种方法可以应用于其他单链模型，并将其通常应用于分子拉伸。
Analytical relations for the mechanical response of single polymer chains are valuable for modeling purposes, on both the molecular and the continuum scale. These relations can be obtained using statistical thermodynamics and an idealized single-chain model, such as the freely jointed chain model. To include bond stretching, the rigid links in the freely jointed chain model can be made extensible, but this almost always renders the model analytically intractable. Here, an asymptotically correct statistical thermodynamic theory is used to develop analytic approximations for the single-chain mechanical response of this model. The accuracy of these approximations is demonstrated using several link potential energy functions. This approach can be applied to other single-chain models, and to molecular stretching in general.
