Data for: Numerical study on transport properties of the working mixtures for coal supercritical water gasification based power generation systems

Description

This data article contains the results of the predicted viscosity for H2O/CO2 binary mixtures and H2O/CO2/H2 ternary mixtures via equilibrium molecular dynamics (EMD) simulations and three different theoretical calculation models : (1) Wilke model [1]; (2) DS model [2]; (3) KRW model [3]. The SPC/Fw model for the water molecule, Cygan model for the carbon dioxide molecule and two-site model for the hydrogen molecule with Lorentz–Berthelot combining rule are adopted in the prediction of viscosity for the mixtures. The data presented in this article are related to the article titled "Numerical study on transport properties of the working mixtures for coal supercritical water gasification based power generation systems" [4].

Categories

Licence