Abstract
A group contribution version of the nonrandom lattice fluid equation of state (NLF-GC EOS) has been used to predict the vapor-liquid phase equilibria (VLE) of esters and their mixtures. The investigated esters were divided into groups according to the contribution scheme. Two different types of parameters were regressed from experimental datasets. Size parameters were fitted to pure component properties, and the group-group energy interaction parameters were simultaneously fitted to several binary mixture data sets. For systems containing propylene oxide, missing binary VLE data was predicted by using the COSMO-RS method. Parameters obtained by using the COSMO-RS method were later used to successfully predict experimentally measured binary propylene oxide+esters systems. The overall good prediction capability of the NLF-GC EOS could be proven for the investigated systems.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
A. Fredenslund, R. L. Jones and J. M. Prausnitz, AIChE J., 21(6), 1086 (1975).
J.W. Kang, J. Abildskov, R. Gani and J. Cobas, Ind. Eng. Chem. Res., 41, 3260 (2002).
E. A. Guggenheim, Mixtures, Clarendon Press, Oxford (1952).
S. S. You, K.-P. Yoo and C. S. Lee, Fluid Phase Equilib., 93, 193 (1994).
S. S. You, K.-P. Yoo and C. S. Lee, Fluid Phase Equilib., 93, 215 (1994).
B. A. Veytsman, J. Phys. Chem., 94(23), 8499 (1990).
B. H. Park, J.W. Kang, K.-P. Yoo and C. S. Lee, Fluid Phase Equilib., 183–184, 111 (2001).
B. H. Park, J.W. Kang, K.-P. Yoo and C. S. Lee, Fluid Phase Equilib., 194–197, 609 (2002).
J.W. Kang, J.H. Lee, K.-P. Yoo and C. S. Lee, Fluid Phase Equilib., 194–197, 77 (2002).
A. Breitholz, K.-P. Yoo, J. S. Lim, C. S. Lee and J.W. Kang, Korean J. Chem. Eng., 25, 833 (2008).
K.-P. Yoo and C. S. Lee, Fluid Phase Equilib., 117, 48 (1996).
S. J. Yoo, K.-P. Yoo, H.W. Kim and C. S. Lee, Fluid Phase Equilib., 125, 21 (1996).
S. J. Yoo, K.-P. Yoo and C. S. Lee, J. Phys. Chem. B, 101, 1072 (1997).
K.-P. Yoo, S. J. Yoo and C. S. Lee, Fluid Phase Equilib., 136, 49 (1997).
B. H. Park, M. S. Yeom, K.-P. Yoo and C. S. Lee, Korean J. Chem. Eng., 15, 246 (1998).
M. S. Yeom, K.-P. Yoo, B. H. Park and C. S. Lee, Fluid Phase Equilib., 158-160, 143 (1999).
F. Eckert and A. Klamt, AIChE J., 48(2), 369 (2002).
A. Kalmt and F. Eckert, Fluid Phase Equilib., 172, 43 (2000).
E. Eckert and A. Klamt. COSMOtherm. Version C2. Release 01.07 edition, COSMOlogic GmbH & Co. KG, Leverkusen, Germany (2007).
A. Klamt, V. Jonas, T. Bürger and J. C.W. Lohrenz, J. Phys. Chem. A, 102, 5074 (1998).
A. Klamt, J. Phys. Chem., 99, 2224 (1995).
A. Kalmt and F. Eckert, Fluid Phase Equilib., 217, 53 (2004).
J.W. Kang, K.-P. Yoo, H.Y. Kim, H. Lee, D. R. Yang and C. S. Lee, Int. J. Thermophys., 22(2), 487 (2001).
U. Onken, J. Rarey-Nies and J. Gmehling, Int. J. Thermophys., 10(3), 739 (1989).
Y. S. Kim, W.Y. Choi, J. H. Jang, K.-P. Yoo and C. S. Lee, Fluid Phase Equilib., 228–229, 439 (2005).
Y. S. Kim, J. H. Jang, B. D. Lim, J.W. Kang and C. S. Lee, Fluid Phase Equilib., 256, 70 (2007).
Author information
Authors and Affiliations
Corresponding author
Additional information
This article is dedicated to Professor Chul Soo Lee in commemoration of his retirement from Department of Chemical and Biological Engineering of Korea University.
Rights and permissions
About this article
Cite this article
Breitholz, A., Lim, J.S., Kang, J.W. et al. Nonrandom lattice fluid group contribution parameter for vapor-liquid equilibrium of esters and their mixtures. Korean J. Chem. Eng. 26, 230–234 (2009). https://doi.org/10.1007/s11814-009-0038-5
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11814-009-0038-5