Simulated study on CH4 adsorption by Shanxi gas-fat coal at different moisture contents - Wang, Lin; Chen, Xiangjun; Wang, Dezhang; Wang, Xiaodan (Journal of molecular modeling, 2023)
Keywords: Adsorption; Characterization and Evaluation of Materials; Chemistry; Chemistry and Materials Science; China; Coal; Computer Appl. in Life Sciences; Computer Applications in Chemistry; computer simulation; computer software; equations; Exponential functions; Free energy; Gasification; Gibbs free energy; heat; Linear equations; Methane; Moisture content; molecular dynamics; Molecular Medicine; Original Paper; Pressure effects; Software; sorption isotherms; Surface chemistry; Theoretical and Computational Chemistry; water content; China; Molecular simulation; Gas-fat coal; Adsorption capacity; Surface free energy