“…Medium thermal and mass transfer properties are important factors affecting the reaction in media. , Therefore, there is a lot of discussion on the property of thermal and mass transfer for reaction media in engineering fields. , In the case of CO 2 or critical CO 2 simulation, there are simulations of thermal conductivity, viscosity, and diffusion properties of CO 2 . ,, In the simulation process, molecular model parameters are usually evaluated by comparing the simulation of thermodynamic properties with experimental values . However, in specific simulation processes of other physical properties, some running parameters that need to be set during the simulation, including cutoff, step size, step number, etc.…”