无序线性大分子间的耗尽力
Depletion force between disordered linear macromolecules
摘要：
当两个大分子在流体中非常接近时，具有有限体积的周围分子不太可能进入其间。这导致压力差表现为熵吸引力，称为消耗力。在这里，我们计算的密度分布的液体分子周围的无序刚性大分子建模为一个随机排列的硬球的线性骨干。通过计算系统的自由能，我们解析地确定了两个这样的无序分子之间的耗尽力的位置依赖性。然后，我们使用分子动力学模拟，以获得刚性无序聚合物之间的耗尽力，以及灵活的，并对彼此进行比较。我们还展示了如何从非齐次RISM方程开始处理无序平均。
英文摘要：
When two macromolecules come very near in a fluid, the surrounding molecules, having finite volume, are less likely to get in between. This leads to a pressure difference manifesting as an entropic attraction, called depletion force. Here we calculate the density profile of liquid molecules surrounding a disordered rigid macromolecules modelled as a random arrangement of hard spheres on a linear backbone. We analytically determine the position dependence of the depletion force between two such disordered molecules by calculating the free energy of the system. We then use molecular dynamics simulations to obtain the depletion force between stiff disordered polymers as well as flexible ones and compare the two against each other. We also show how the disorder averaging can be handled starting from the inhomogenous RISM equations.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
