the physicochemical properties of solute in solutions provide valuable information on solute –solvent, solute – solute and solvent – solvent interactions. the intermolecular forces between theliquids molecules and solvent molecules affect the viscosity of the solution. information regardinginter and intra molecular interactions can be obtained from volumetric, and viscometric data in asolute so...

Hamad, F. and Mansoori, G.A., 1993. Theory of infinite dilution chemical potential. Fluid Phase Equilibria, 85: 141151. Exact expressions for the infinite dilution chemical potential in terms of the pair correlation function are derived. Appropriate approximations are introduced in these expressions to derive simple equations for the infinite dilution chemical potential in terms of molecular si...

Graph neural networks were trained for the prediction of infinite dilution activity coefficients.

In this paper, we calculated 37 structural descriptors of 174 organic compounds. The 154 molecules were used to derive quantitative structure – infinite dilution activity coefficient relationship by genetic programming, the other 20 compounds were used to test the model. The result showed that molecular partition property and three-dimensional structural descriptors have significant influence o...