Supplementary information

In the SI, we report the list of molecular parameters for the Mie and Lennard-Jones potentials using the SAFT-VR EoS and the two optimization strategies discussed in Methods, the results for the prediction of the self-diffusion coefficient using the molecular parameters from the thermodynamic fitting, and the list of molecular parameters obtained from fitting available data for the self-diffusion coefficient.

在补充材料（SI）中，我们报告了三项内容：一是采用SAFT-VR状态方程（SAFT-VR EoS）与方法部分讨论的两种优化策略，针对米氏势（Mie）和伦纳德-琼斯势（Lennard-Jones）拟合得到的分子参数列表；二是利用热力学拟合所得分子参数开展自扩散系数预测的结果；三是通过拟合自扩散系数相关可用数据得到的分子参数列表。