Algorithmic Framework for Quality Assessment of Phase Equilibrium Data

Abstract

Data quality assessment procedures for various types of phase equilibrium data are reviewed and analyzed. Experimental data for vapor liquid equilibrium (VLE), liquid liquid equilibrium (LLE), solid liquid equilibrium (SLE), infinite dilution activity coefficients (ACT), and excess enthalpy (HE) are used for interproperty consistency checks, together with relevant properties of pure compounds. These procedures are essential for validation of experimental data and development of high quality prediction and correlation models. A single framework involving consistency tests for all types of phase equilibria data is proposed, together with an algorithm implementation.