Investigation of Rational Design of Amine Solvents for CO2 Capture: A Computational Approach
Maimoona Sharif, Tao Han, Tao Wang, Xiaohong Shi, Mengxiang Fang, Shuming Du, Ruihong Meng, Xiang Gao
Topics & Concepts
Thermal diffusivityChemistryIntermolecular forceDiffusionAbsorption (acoustics)Intensity (physics)Mean squared displacementDesorptionIntramolecular forceSolventMolecular dynamicsMoleculeThermodynamicsComputational chemistryMaterials sciencePhysical chemistryOrganic chemistryAdsorptionComposite materialQuantum mechanicsPhysicsCarbon Dioxide Capture TechnologiesPhase Equilibria and ThermodynamicsMembrane Separation and Gas Transport