TY - JOUR
T1 - Simultaneous prediction of interfacial tension and phase equilibria in binary mixtures
T2 - An approach based on cubic equations of state with improved mixing rules
AU - Mejía, Andrés
AU - Segura, Hugo
AU - Vega, Lourdes F.
AU - Wisniak, Jaime
N1 - Funding Information:
This work was financed by FONDECYT, Santiago, Chile (Project 2010100). A.M. acknowledges to CHpC grant 314-C and to the Faculty of Chemical Engineering and Material Sciences at Delft University of Technology for sending a copy of the P.M.W. Cornelisse's Ph.D. thesis.
PY - 2005/1/25
Y1 - 2005/1/25
N2 - Vapor-liquid interfacial tensions of miscible mixtures have been predicted by applying the gradient theory to an improved Peng-Robinson equation of state. The modified Huron-Vidal mixing rule model has been considered for fitting vapor-liquid equilibrium data of miscible polar and non-polar mixtures and, then, for predicting the interfacial tension of these mixtures. According to results, an accurate and globally stable fitting of the vapor-liquid equilibrium data results on a physically coherent prediction of interfacial tensions in the full concentration range. In addition, we present a criteria based on the geometry of the grand potential function along the interface for assessing the predictive value of the GT. Calculations for subcritical binary mixtures are presented and compared to experimental data and the Parachor method for demonstrating the potential of the unified approach suggested in this work.
AB - Vapor-liquid interfacial tensions of miscible mixtures have been predicted by applying the gradient theory to an improved Peng-Robinson equation of state. The modified Huron-Vidal mixing rule model has been considered for fitting vapor-liquid equilibrium data of miscible polar and non-polar mixtures and, then, for predicting the interfacial tension of these mixtures. According to results, an accurate and globally stable fitting of the vapor-liquid equilibrium data results on a physically coherent prediction of interfacial tensions in the full concentration range. In addition, we present a criteria based on the geometry of the grand potential function along the interface for assessing the predictive value of the GT. Calculations for subcritical binary mixtures are presented and compared to experimental data and the Parachor method for demonstrating the potential of the unified approach suggested in this work.
KW - Excess Gibbs energy models
KW - Gradient theory
KW - Interfacial tension
KW - Mixing rules
KW - Vapor-liquid equilibrium
UR - http://www.scopus.com/inward/record.url?scp=11844254866&partnerID=8YFLogxK
U2 - 10.1016/j.fluid.2004.10.024
DO - 10.1016/j.fluid.2004.10.024
M3 - Article
AN - SCOPUS:11844254866
SN - 0378-3812
VL - 227
SP - 225
EP - 238
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
IS - 2
ER -