外驱动下分子拉链的动力学和能量学
Dynamics and energetics of a molecular zipper under external driving
摘要：
我们研究了单端N态分子拉链的动力学模型的基础上最初提出的Kittel。随着时间t的增加，分子被单向地推向完全解链的状态，其中驱动使具有k个解链链接的状态的能量降低与kt成比例的量。我们解决泡利速率方程的状态概率和偏微分方程，从而产生的概率分布的拉链上进行的工作和与热库交换的热量。类似于相关的平衡模型，在给定的温度下，相对于每个断裂键释放的分子自由度，可以确定两个不同的制度。在这两个制度的状态概率以及工作和热分布的时间演化表现出质的不同的行为。
英文摘要：
We investigate the dynamics of a single-ended N-state molecular zipper based on a model originally proposed by Kittel. The molecule is driven unidirectionally towards the completely unzipped state with increasing time t, where the driving lowers the energies of states with k unzipped links by an amount proportional to kt. We solve the Pauli rate equation for the state probabilities and the partial differential equations, which yield the probability distributions for the work performed on the zipper and for the heat exchanged with the thermal reservoir. Similarly to the related equilibrium model, two different regimes can be identified at a given temperature with respect to the released molecular degrees of freedom per broken bond. In these two regimes the time evolution of the state probabilities as well as of the work and heat distributions show a qualitatively different behavior.
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