MOSCED

This allows the prediction of polar and associative compounds, which most solubility parameter models have been found to do poorly.

In addition to making quantitative prediction, MOSCED can be used to understand fundamental molecular level interaction for intuitive solvent selection and formulation.

In addition to infinite dilution, MOSCED can be used to parameterize excess Gibbs Free Energy model such as NRTL, WILSON, Mod-UNIFAC to map out Vapor Liquid Equilibria of mixture.

This was demonstrated briefly by Schriber and Eckert [3] using infinite dilution data to parameterize WILSON equation.

These parameters are then entered in several equations to obtain the limiting activity coefficient of an infinitely diluted solute in a solvent.

The database contains limiting activity coefficients of binary systems of non-polar, polar and hydrogen compounds, but no water.

[6] The activity coefficient of the solute and solvent can be extended to other concentrations by applying the principle of the Margules equation.

The model uses five component specific properties to characterize the interaction forces between a solute and its solvent.