Mon K K, Percus J K
Courant Institute of Mathematical Sciences, New York University, New York, New York 10012, USA.
J Chem Phys. 2005 Jun 1;122(21):214503. doi: 10.1063/1.1924413.
We solve a model of random-walk stochastic dynamics for hard single-file fluids in the experimentally important quasi-one-dimensional regime. This is a nontrivial extension of exact solution beyond one dimension. We point out that quasi-one-dimensional single-file self-diffusion of one-component hard fluids of diameter a under stochastic forces is equivalent at long time to a one-dimensional hard-rod fluid with the same linear density but a different diameter, a(eff). This effective diameter is controlled by the details of the relative dynamics between the transverse and longitudinal directions. There are two regimes of limiting behavior. For very fast transverse motion, the system is likely (but we cannot prove rigorously) to be equivalent to the soluble-oriented hard-rectangle or cylinder systems, with a(eff)=a. With very slow transverse motion, the self-diffusion dynamics is described by an equivalent soluble one-dimensional mixture of fluids with a(eff)=a(ave), the average longitudinal separation between nearest-neighbor particles at contact. We have explored our theoretical predictions with Monte Carlo simulations.
我们求解了在实验上重要的准一维区域中硬单文件流体的随机游走随机动力学模型。这是超越一维的精确解的一个重要扩展。我们指出,在随机力作用下,直径为(a)的单组分硬流体的准一维单文件自扩散在长时间下等同于具有相同线密度但不同直径(a_{eff})的一维硬棒流体。这个有效直径由横向和纵向之间相对动力学的细节控制。存在两种极限行为模式。对于非常快的横向运动,系统很可能(但我们无法严格证明)等同于可解的定向硬矩形或圆柱系统,(a_{eff}=a)。对于非常慢的横向运动,自扩散动力学由具有(a_{eff}=a_{ave})的等效可解一维流体混合物描述,(a_{ave})是接触时最近邻粒子之间的平均纵向间距。我们用蒙特卡罗模拟探索了我们的理论预测。