Amino acid ionic liquids as potential candidates for CO2 capture: Combined density functional theory and molecular dynamics simulations
Abdul Rajjak Shaikh, Muhammad Ashraf, Turki AlMayef, Mohit Chawla, Albert Poater, Luigi Cavallo
Topics & Concepts
Ionic liquidCarbon dioxideMolecular dynamicsChemistryDensity functional theoryAtmosphere (unit)Greenhouse gasIonic bondingChemisorptionCarbon fibersChemical physicsComputational chemistryIonMaterials scienceOrganic chemistryThermodynamicsPhysicsAdsorptionCatalysisComposite numberEcologyBiologyComposite materialIonic liquids properties and applicationsCarbon dioxide utilization in catalysisCarbon Dioxide Capture Technologies