Understanding the solid-liquid phase equilibrium of 3,5-dimethoxybenzoic acid in thirteen pure solvents by thermodynamic analysis and molecular simulation
Shanshan Feng, Menghui Yao, Shilin Guo, Yanbo Liu, Haoyu Peng, Yiming Ma, Peng Shi, Junbo Gong, Mingyang Chen
Topics & Concepts
Non-random two-liquid modelSolubilityChemistrySolventSolvationThermodynamicsGibbs free energyHildebrand solubility parameterPhase (matter)Molecular dynamicsActivity coefficientPhysical chemistryOrganic chemistryComputational chemistryAqueous solutionPhysicsCrystallization and Solubility StudiesChemical and Physical Properties in Aqueous SolutionsPhase Equilibria and Thermodynamics