Molecular simulation on the interaction between polypropylene glycol dimethyl ether and trans-1233zd
Binbin Yu, Jingye Yang, Junye Shi, Jiangping Chen
Topics & Concepts
SolubilitySolvationDimethyl etherHildebrand solubility parameterAb initioMolecular dynamicsThermodynamicsChemistryMaterials scienceInteraction energyComputational chemistryRadial distribution functionSolvation shellPhysical chemistryMoleculeChemical physicsOrganic chemistryMethanolPhysicsPhase Equilibria and ThermodynamicsThermodynamic properties of mixturesChemical Thermodynamics and Molecular Structure