Quantum chemical calculation, molecular dynamics simulation and process design for separation of heptane - butanol using ionic liquids extraction
Zhaoyou Zhu, Huiyuan Li, Ying Xu, Wanxiang Zhang, Yuanyuan Shen, Jun Gao, Lei Wang, Yinglong Wang
Topics & Concepts
Ionic liquidMolecular dynamicsExtraction (chemistry)ChemistryHeptaneTernary operationCharge densitySeparation processThermodynamicsPhysical chemistryChemical physicsComputational chemistryOrganic chemistryChromatographyPhysicsProgramming languageCatalysisComputer scienceQuantum mechanicsIonic liquids properties and applicationsExtraction and Separation ProcessesChemical and Physical Properties in Aqueous Solutions