Phase behaviour profile of three compound mixtures in Liquid-Liquid Equilibrium

These data sets comprise tieline information for generical three compound mixtures in liquid-liquid equilibrium (LLE).
These mixtures include an ionic liquid (IL) and two organic molecules. Each data point comprises a given combination of  three compounds (mixture) and the organic molecule (molecule 1 or 2 from the mixture) whose molar fraction is being evaluated. Temperature and pressure are additional parameters that characterize the datapoint. Five randomly global composition points are generated to represent a given tieline. A given datapoint is represented by a certain randomly-generated global composition within a generical tieline.Two models were built in order to characterize the IL-poor and IL-rich phases in equilibrium. This information is based on ILThermo database. Only information on molar and weight fractions were collected. All the information was used and transformed in order to model molar fractions. Each of the different sets (training, optimization and test) were randomly generated and in order contain chemical systems where a given combination of two organic molecules and IL is not contemplated in the remaining two datasets.