Investigating the microscopic mechanisms of deep eutectic solvents formed with natural compounds: Multiscale simulation and cross-validation
Congfei Yao, Xiaoyu Li, Qiuyu Chen, Zheng Liu, Haisong Wu, Wanxiang Zhang, Yuqing Miao, Weijia Huang
Topics & Concepts
Eutectic systemExtraction (chemistry)Hydrogen bondMolecular dynamicsChemistryPhenolEnvironmentally friendlyBiochemical engineeringChemical physicsBiological systemComputational chemistryMoleculeOrganic chemistryBiologyEngineeringEcologyAlloyIonic liquids properties and applicationsChemical and Physical Properties in Aqueous SolutionsExtraction and Separation Processes