高分子单链解折叠模型中的剩余熵
Residual entropy in a model for the unfolding of single polymer chains
摘要：
我们研究了由于外力的作用而引起的单个高分子链的展开。我们使用一个简化的模型，它允许执行所有的计算在封闭的形式，而不假设一个玻尔兹曼-吉布斯形式的平衡分布。然后通过在一定约束下计算熵的勒让德变换来定义温度。该模型的应用仅限于柔性聚合物。它表现出从致密的球状体逐渐过渡到棒状体。这两个阶段之间的边界线显示重入行为。这一行为可以用剩余熵的存在来解释。
英文摘要：
We study the unfolding of a single polymer chain due to an external force. We use a simplified model which allows to perform all calculations in closed form without assuming a Boltzmann-Gibbs form for the equilibrium distribution. Temperature is then defined by calculating the Legendre transform of the entropy under certain constraints. The application of the model is limited to flexible polymers. It exhibits a gradual transition from compact globule to rod. The boundary line between these two phases shows reentrant behavior. This behavior is explained by the presence of residual entropy.
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