Abstract Equilibrium molecular dynamics simulations were used to calculate the viscosity and self-diffusion coefficient of Stockmayer fluids at different dipole moments from the saturated liquid state to the supercritical fluid state. On the basis of the theory of Longuet-Higgins and Pople (J. Chem. Phys. 25 (1956) 884) a physically based correlation equations was proposed for the correlation of density, temperature and dipole moment dependence of viscosity and self-diffusion coefficient simulation data. As an application, with appropriate Stockmayer parameter sets the viscosity of fluoroalkanes were calculated along the saturated liquid curves, and good agreement has been obtained between the experimental and correlation equation data.

中文翻译：

---

偶极液体的粘度和自扩散系数

摘要 利用平衡分子动力学模拟计算了斯托克迈尔流体从饱和液态到超临界流体不同偶极矩下的粘度和自扩散系数。在 Longuet-Higgins 和 Pople 的理论 (J. Chem. Phys. 25 (1956) 884) 的基础上，提出了一个基于物理的相关方程，用于粘度和自扩散系数的密度、温度和偶极矩相关性的相关性模拟数据。作为一个应用，使用适当的 Stockmayer 参数集，沿饱和液体曲线计算氟代烷烃的粘度，并且在实验和相关方程数据之间获得了良好的一致性。