First principles study on the adsorption of CO2 on the M2CO3 surface(M=Na or K)

来源 :2016年理论与高性能计算化学国际会议(International Conference on Theoretical | 被引量 : 0次 | 上传用户：lvxubin

【摘要】

：

　　Alkali carbonate is a promising adsorption for CO2 releasing from coal-fired power plants.However,there is lack of theoretical study focusing on the carboni

【作者】

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Tianyi Cai Ye Wu Chen Xiaoping Yuhao Xu Wenjing Zhang Wenwen Zhao

【机构】

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KeyLaboratoryofEnergyThermalConversionandControlofMinistryofEducation,SchoolofEnergyandEnvironment,S

【出处】

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2016年理论与高性能计算化学国际会议(International Conference on Theoretical

【发表日期】

：

2016年1期

【关键词】

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density functional theory M2CO3(001) adsorption Langmuir-Hinshelwood model Eley-

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　　Alkali carbonate is a promising adsorption for CO2 releasing from coal-fired power plants.However,there is lack of theoretical study focusing on the carbonization process of M2CO3(M=Na or K).Density functional theory(DFT)has been used to explain the micro-mechanism of CO2/H2O adsorption and co-adsorption on the M2CO3(001)surface(M=Na or K).

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First principles study on the adsorption of CO2 on the M2CO3 surface(M=Na or K)

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