2012
DOI: 10.1021/ie202456v
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Multiphase Equilibrium Calculations from Soave Equation of State with Chang-Twu/UNIFAC Mixing Rules for Mixtures Containing Water, Alcohols, and Esters

Abstract: Various versions of the Soave−Redlich−Kwong (SRK) equation of state incorporating different mixing rules were applied to calculate vapor−liquid equilibrium (VLE), liquid−liquid equilibrium (LLE), and vapor−liquid−liquid equilibrium (VLLE) properties for the systems containing water, alcohols, and esters. The calculated results showed that the SRK equation with the T-type α function and the Chung−Twu (CT) mixing rules embedded in the UNIFAC−Lyngby model (SRK-T/CT− UNIFAC− Lyngby) not only predicts accurately th… Show more

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Cited by 5 publications
(8 citation statements)
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“…There have been several articles evaluating the predictive capability of polynomial functions for the thermodynamic properties of pure fluids or the VLE, liquid–liquid equilibria (LLE), and vapor–liquid–liquid equilibria (VLLE) of mixtures, such as those by Kleiman et al (2002), Luo et al (2008), Hong et al (2012), and Young et al (2016) . In addition, Mathias (1994) made an in-depth analysis of the advantages and disadvantages of the Stryjek–Vera (1986) alpha functions in cubic EoS.…”
Section: General Overview Of the Alpha Functionmentioning
confidence: 99%
See 2 more Smart Citations
“…There have been several articles evaluating the predictive capability of polynomial functions for the thermodynamic properties of pure fluids or the VLE, liquid–liquid equilibria (LLE), and vapor–liquid–liquid equilibria (VLLE) of mixtures, such as those by Kleiman et al (2002), Luo et al (2008), Hong et al (2012), and Young et al (2016) . In addition, Mathias (1994) made an in-depth analysis of the advantages and disadvantages of the Stryjek–Vera (1986) alpha functions in cubic EoS.…”
Section: General Overview Of the Alpha Functionmentioning
confidence: 99%
“…19,32−36 Although the Soave's 1972 alpha function has the defects mentioned above, it is still widely used in the simulation and design of chemical and petroleum processes because the turning temperature is often higher than the maximum temperature in real applications. 28,32,37 For example, the turning temperatures of RK Soave's alpha function for n-alkanes (C 1 −C 20 ), cycloalkanes (C 5 −C 8 ), and aromatics (from benzene to naphthalene) were around 1800, 1300, and 2100 K, respectively, and for the polar compounds (methanol, ethanol, acetone, and water), the extrema were about 1500−2600 K. 32,38 There have been several articles evaluating the predictive capability of polynomial functions for the thermodynamic properties of pure fluids or the VLE, liquid−liquid equilibria (LLE), and vapor−liquid−liquid equilibria (VLLE) of mixtures, such as those by Kleiman et al (2002), 39 Luo et al (2008), 40 Hong et al (2012), 9 and Young et al (2016). 36 In addition, Mathias (1994) 10 made an in-depth analysis of the advantages and disadvantages of the Stryjek−Vera (1986) alpha functions in cubic EoS.…”
Section: General Overview Of the Alpha Functionmentioning
confidence: 99%
See 1 more Smart Citation
“…Kundu and Banerjee used the conductor-like screening model with segment activity coefficients (COSMO-SAC) to compute the activity coefficients used in VLLE predictions for eight systems. Hong et al calculated VLLE for mixtures consisting of water, alcohols, and esters. They used different versions of the Soave–Redlich–Kwong (SRK) EoS and Chung–Twu mixing rules that applied the universal functional activity coefficient (UNIFAC) method for the calculation of the excess molar Gibbs free energy.…”
Section: Introductionmentioning
confidence: 99%
“…Two of them used the mixing rules developed by Chung and Twu and differed in the method of the G E calculation. The first one (described in ref ) computed G E by the Lyngby version of the UNIFAC method (TC-L), whereas the second used the Dortmund version of this method (TC-D). The two remaining methods were the predictive Soave–Redlich–Kwong (PSRK) and linear combination of Vidal and Michelsen mixing rules (LCVM) models.…”
Section: Introductionmentioning
confidence: 99%