Predicting phase-splitting behaviors of an amine-organic solvent–water system for CO2 absorption: A new model developed by density functional theory and statistical and experimental methods
Xiaomeng Zhao, Xingyu Li, Houfang Lu, Hairong Yue, Changjun Liu, Shan Zhong, Kui Ma, Siyang Tang, Bin Liang
Topics & Concepts
SolubilityDensity functional theoryChemistryAmine gas treatingIonAbsorption (acoustics)MoleculeSolventPhase (matter)Ionic bondingWork (physics)Phase diagramComputational chemistryThermodynamicsPhysical chemistryOrganic chemistryMaterials sciencePhysicsComposite materialCarbon Dioxide Capture TechnologiesPhase Equilibria and ThermodynamicsMembrane Separation and Gas Transport