Data for: A numerical study on the thermal conductivity of H2O/CO2/H2 mixtures in supercritical regions of water for coal supercritical water gasification system

This data article provides the results of the predicted thermal conductivity for H2O/CO2 binary mixtures, H2O/H2 binary mixtures, and H2O/CO2/H2 ternary mixtures via equilibrium molecular dynamics (EMD) simulations and four different theoretical calculation models: (1) KM model for nonpolar gas mixtures; (2) KM model for polar gas mixtures; (3) MS model for nonpolar gas mixtures; (4) MS model for polar gas mixtures. The data presented in this article are related to the article titled " A numerical study on the thermal conductivity of H2O/CO2/H2 mixtures in supercritical regions of water for coal supercritical water gasification system ".

本数据论文提供了通过平衡分子动力学（Equilibrium Molecular Dynamics, EMD）模拟及四种不同理论计算模型得到的H₂O/CO₂二元混合物、H₂O/H₂二元混合物与H₂O/CO₂/H₂三元混合物的预测热导率结果：(1) 适用于非极性气体混合物的KM模型；(2) 适用于极性气体混合物的KM模型；(3) 适用于非极性气体混合物的MS模型；(4) 适用于极性气体混合物的MS模型。本文所呈现的数据与题为《面向煤炭超临界水气化系统的水超临界区域内H₂O/CO₂/H₂混合物热导率数值研究》的学术论文相关。