Theoretical insight into the enhanced CH4 desorption via H2O adsorption on different rank coal surfa

• 作 者: Yanan Zhou Wenjing Sun Wei Chu
• 机 构: CollegeofChemicalEngineering,KeyLaboratoryGreenChemistry&,TechnologyofMinistryofEducation（MOE）,Do
• 出 处: 能源化学：英文版
• 发表日期: 2016年4期
• 基金项目: financially supported by the National Natural Science Foundation of China(21476145),the National 973 Program of Ministry of Sciences and Technologies of China(2011CB201202)

The density functional theory was used to investigate the adsorption of CH4 and H2O on different rank coal surfaces.The coal rank is the dominant factor in affecting the adsorption capacity of coal.In order to better understand gas and water interaction w