1Chemical Engineering, Department, Faculty of Engineering, University of Isfahan, Isfahan, I.R. IRAN
2Chemical Engineering Department, Amirkabir University of Technology, Tehran, I.R. IRAN
3Chemical Engineering Department, Faculty of Engineering, University of Isfahan, Isfahan, I.R. IRAN
In this study a simple and general chemical association theory is introduced. The concept of infinite equilibrium model is re-examined and true mole fractions of associated species are calculated. The theory is applied to derive the distribution function of associated species. As a severe test the application of presented theory to the van der Waals mixture model is introduced in order to perform Vapor-Liquid Equilibrium (VLE) calculations of aqueous ternary mixtures. The calculations are shown to be consistently improving the prediction over the non-associating case. Also, well known empirical models of NRTL and UNIQUAC are applied on the studied systems and their results are compared with proposed model.
 Nose A., Hojo M., Hydrogen Bonding of Water-Ethanol in Alcoholic Beverages, Bioscience and Bioengineering, 102, p. 269 (2006)
 Nikolic A., Jovic B., Csanady S., Petrovic S., N–HO Hydrogen Bonding: FT IR, NIR and H-NMR Study of N-Methylpropionamide-Cyclic Ether Systems, J. Molecular Structure, 834-836, p. 249 (2007).
 Wenzel H., Krop E., Phase equilibrium by Equation of State: a Short-Cut Method Allowing for Association, Fluid Phase Equilibria, 59, p. 147 (1990).
 Aghamiri S.F., Mansoori G.A., Modarress H., A Genralized Chemical Associating Theory of Mixtures, Z. Physik. Chem. Bd., 205, p. 211 (1998).
 Aghamiri S.F., Modarress H., Mansoori G.A., A New Theoretical Approach to the Hydrogen Bonded Fluids Based on the Conformal Solution Theory, J. phys. chem. B, 105, p. 2820 (2001).
 Mohsen-Nia M., Modarress H., Association Equation of State (AEOS) Based on Aggregate Formation for Pure Substance, Chemical Physics, 336, p. 22 (2007).
 Kudelkova L., Lovland J., Vonka P., Crossover EOS Versus Classical EOS for Pure Fluids, Fluid Phase Equilibria, 218, p. 103 (2004).
 Perakis C., Voutsas E., Magoulas K., Tassios D., Thermodynamic Modeling of the Vapor-Liquid Equilibrium of the Water/Ethanol/CO2 System, Fluid Phase Equilibria, 243, p. 142 (2006).
 Vafaie-Sefti M., Mousavi-DehghaniS.A., Application of Association Theory to the Prediction of Asphaltene Deposition: Deposition Due to Natural Depletion and Miscible Gas Injection Processes in Petroleum Reservoirs, Fluid Phase Equilibria, 247, p. 182 (2006).
 Perfetti E., Thiery R., Dubessy J., Equation of State Taking into Account Dipolar Interactions and Association by Hydrogen Bonding. I: Application to Pure Water and Hydrogen Sulfide, Chemical Geology,251 (1-4), p. 58 (2008).
 Nickmand Z., Aghamiri S.F., A New Modified van Laar Model for Associating Mixtures, Journal of Dispersion Science and Technology,31 (12), p. 1638 (2010).
 Nickmand Z., Aghamiri S.F., A New Association Term for SAFT Equation of State, Journal of Dispersion Science and Technology, 31 (11), p. 1591 (2010).
 Anderko A., Phase Equilibria in Aqueous Systems from an Equation of State Based on the Chemical Approach, Fluid Phase Equilibria, 65, p. 89 (1991).
 Touba H., Mansoori G.A., Equations of Sstate for Associating Fluids (Based on the Analytic Chain Association Theory), Fluid Phase Equilibria, 119, p. 51 (1996).
 Hill, T.L., "An Introduction to Statistical Thermodynamics",Dover:New York, (1986).
 Elliott, J.R. and Lira, C. T., "Introductory Chemical Engineering Thermodynamics", Prentice Hall, UpperSaddleRiver, N. J., (1999).
 Walas, S.M., "Phase Equilibria in Chemical Engineering", Butterworth: Boston, (1985).
 Gmehling J., Onken U., Arlt W., "Vapor-Liquid Equilibrium Data Collection, Aqueuse Organic Systems, Chemistery Data Series", Vol. 1, Part 1a, Behrens, D. and Eckermann, R., Ed., DECHEMA: Frankfurt (1981).