The promotion mechanism of ammonia-based CO2 capture by hydroxyl and amine additives: A molecular dynamics and DFT study
Jiaxing Du, Wu Yang, Linlin Xu, Jiaming Chen, Zijian Song, Ben Wang, Lushi Sun
Topics & Concepts
Amine gas treatingAmmoniaChemistryMechanism (biology)Molecular dynamicsComputational chemistryOrganic chemistryPhysicsQuantum mechanicsCarbon Dioxide Capture TechnologiesIndustrial Gas Emission ControlCatalytic Processes in Materials Science