Role of CO2 on trace arsenic and selenium separation from coal-fired flue gas by CaO

Xiaotong Ma,Jun Li,Xingkang Huang, Jingyang Du,Xiao Lu,Tai Feng

SEPARATION AND PURIFICATION TECHNOLOGY（2023）

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摘要

•As2O3 and SeO2 adsorption by CaO (100) was stronger than CO2.•Charge transfers from CaO to As/Se decreased with CO2 presence.•CO2 led to electron re-distribution of CaO and intermolecular repulsion with TEs.•High coverage of CO2 abolished the activity of O sites.

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关键词

Heavy metal,Trace element,CaO,CO2 capture,Density functional theory

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