Thermodynamic analysis and molecular dynamic simulation of the solubility of risperidone (form I) in the pure and binary solvents

•The solubility of risperidone (form Ⅰ) in pure and binary solvent systems were determined.•Experimental solubility data were correlated by different models.•HS analysis was applied to understand the intermolecular interaction of the crystal structure of risperidone (form Ⅰ).•RDF analysis was employed to explain the co-solvency phenomenon.•Thermodynamic properties of the solution were calculated and discussed.