The effect of hydrogen bonds on the correlation and prediction of liquid-liquid equilibria using the UNIQUAC and NRTL models for 596 ternary systems

Citation
S. Kato et al., The effect of hydrogen bonds on the correlation and prediction of liquid-liquid equilibria using the UNIQUAC and NRTL models for 596 ternary systems, SOL EX R D, 8, 2001, pp. 74-84
Citations number
4
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Chemistry,"Chemical Engineering
Journal title
SOLVENT EXTRACTION RESEARCH AND DEVELOPMENT-JAPAN
ISSN journal
1341-7215 → ACNP
Volume
8
Year of publication
2001
Pages
74 - 84
Database
ISI
SICI code
1341-7215(2001)8:<74:TEOHBO>2.0.ZU;2-7
Abstract
Experimental data for ternary liquid-liquid equilibria (LLE) have been coll ected from the literature and the errors of correlation have been studied u sing the UNIQUAC and NRTL equations. Furthermore, prediction errors for the ternary data using the UNIQUAC model and the data for binary liquid-liquid equilibria or binary gas-liquid equilibria have been examined. The purpose of the present study is to examine the effect of hydrogen bonds on the err ors of correlation and prediction. The total number of systems for which data were collected is 596. The avera ge absolute deviation (AAD) between the equilibrium composition given by th e experimental data and that correlated is 0.73 % for the UNIQUAC model and 0.75% for NRTL. The AAD for prediction with the UNIQUAC model is as low as 1.2%. The AADs for correlation and prediction are different for the differ ent types of solubility curves drawn in triangular diagrams. Thus, for exam ple, the AADs are large when a ternary liquid-liquid system includes a solu te or a solvent forming strong hydrogen bonds in their pure liquid states.