New Modified UNIFAC Parameters using Critically Evaluated Phase Equilibrium Data

Published

December 30, 2014

Author(s)

Jeongwon Kang, Vladimir Diky, Michael D. Frenkel

Abstract

New modified UNIFAC property prediction model parameters are reported for 89 main groups and 984 group-group interactions using critically evaluated phase equilibrium data including vapor-liquid equilibrium (VLE), liquid-liquid equilibrium (LLE), solid-liquid equilibrium (SLE), excess enthalpy (HE), infinite dilution activity coefficient (AINF) and excess heat capacity (CPE) data. The new algorithmic framework for quality assessment of phase equilibrium data is applied for qualifying the consistency of data and screening out possible erroneous data. Substantial improvement over previous versions of UNIFAC is observed due to inclusion of experimental data from recent publications and proper weighting based on quality assessment procedure. The systems requiring further verification of phase equilibrium data were identified where only a single data point is available or where existing data are conflicting.

Citation

Fluid Phase Equilibria

Volume

388

Pub Type

Journals

Download Paper

DOI Link

Keywords

NIST-Modified UNIFAC, Consistency Test, Quality Assessment, Regression Analysis

Citation

Kang, J. , Diky, V. and Frenkel, M. (2014), New Modified UNIFAC Parameters using Critically Evaluated Phase Equilibrium Data, Fluid Phase Equilibria, [online], https://doi.org/10.1016/j.fluid.2014.12.042 (Accessed April 18, 2024)