对于许多化工过程,流体的黏度是十分重要的参数,对其进行预测具有重要的意义。本文通过自由体积理论将扩散系数与剩余熵联系起来,同时又根据Stokes—Einstein方程,结合自扩散系数的Lennard—Jones链方程,获得了一个计算Lennaxd—Jones链流体黏度性质的方程。其计算值与分子模拟相比较,误差为4.48%;对于真实流体甲烷和乙烷,其黏度系数计算误差分别为5.59%和7.01%。
Fluid viscosity is a very important property in many chemical engineering processes, and it is necessary to predict viscosity accurately. In this work, we related the diffusion coefficient to the residual entropy of the system based on the free-volume theory. Furthermore, we obtained a viscosity equation of Lennaxd-Jones chain fluid by combining its diffusion coefficient equation with the Stokes-Einstein equation. The calculated mean deviation from the corresponding molecular simulation data is 4.48%. When the proposed equation is applied to real fluids, the calculated mean errors for viscosities of methane and ethane are 5.59% and 7.01%, respectively.