A simplified CEOS/AE mixing rule and its applications for vapor–liquid and liquid–liquid equilibrium predictions

Chung, Ting-Horng; Twu, Chorng H.

doi:10.1016/s0378-3812(01)00587-8

Cited by 2 publications

(6 citation statements)

References 18 publications

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“…Model TC-L presented in ref uses the SRK EoS and the Chung and Twu mixing rules. The parameter a of this EoS is defined by a = a normalc α ( T ) where α( T ) is calculated as α ( T ) = T r N false( M − 1 false) nobreak0em0.25em⁡ exp false[ L ( 1 − T normalr N M ) false] and a c is the value of a at the critical point.…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

“…The coefficients L , M , and N are determined from the regression of pure-component vapor pressure data for the individual substances. The model also uses the parameters calculated from the van der Waals (vdW) mixing rules a vdW = prefix∑ i ∑ j x i x j false( a i a j false) 0.5 b vdW = prefix∑ i ∑ j x i x j b i + b j 2 Chung and Twu assumed b = b vdW . This assumption leads to the following equations for the mixing rules a * = a vdW * + b vdW * C normalv ( G E R T − G vdW E R T ) , goodbreak0em1em⁣ b * = <...…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

“…The calculations were performed for the same 27 ternary mixtures and 4 quaternary systems considered in a previous work by the author using four models based on the EoS. 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).…”

Section: Introductionmentioning

confidence: 99%

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Calculation of Vapor–Liquid–Liquid Equilibria at Atmospheric and High Pressures

Wyczesany

2014

Ind. Eng. Chem. Res.

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Numerical values of the NRTL equation parameters for calculation of the vapor−liquid−liquid equilibria (VLLE) at atmospheric pressures for 27 ternary mixtures are presented. These values were fitted to the experimental VLLE and vapor− liquid equilibrium (VLE) data to describe simultaneously, as accurately as possible, VLE and liquid−liquid equilibria (LLE). Coefficients obtained in this manner allow calculation of the VLLE and VLE of ternary mixtures and binary subsystems with sufficient accuracy. In the case of VLLE, the model, called NRTL-VLL, usually gives mean deviations between the calculated and measured component concentrations of less than 1.3 mol %. Average deviations of the calculated and measured temperatures (or pressures) for most of the mixtures did not exceed 0.45 K (or 3%). Simultaneously, the model calculates the VLE of the homogeneous part of the considered ternary systems and their binary subsystems with good or fairly good accuracy. VLLE calculations were also carried out for four models based on equations of state (EoS). They predicted the VLLE much less accurately than the NRTL-VLL model. For VLLE calculations at high pressures (six systems), the Wong and Sandler model was used in which the coefficients k ij were equal to 0 and the G E value was calculated with the NRTL equation. The parameters of this equation were fitted to the experimental VLLE data. This model, called WS-NRTL, describes VLLE with high accuracy. In most cases, the mean deviations between the calculated and measured component concentrations in the gas phase and the two liquid phases did not exceed 1 mol %, and the average deviations between the calculated and measured pressures were lower than 3%. For two mixtures at high pressure, the another method presented in the literature was also tested. This method used the Wong− Sandler model in which G E was calculated by the UNIFAC method and the coefficients k ij in the mixing rule were fitted to the experimental binary VLE data. This model showed a quite good accuracy but was less precise than the presented WS-NRTL method.

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Section: Thermodynamic Modelsmentioning

confidence: 99%

Section: Thermodynamic Modelsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Calculation of Vapor–Liquid–Liquid Equilibria at Atmospheric and High Pressures

Wyczesany

2014

Ind. Eng. Chem. Res.

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“…In this section, the SRK-T EoS with the CT mixing rules is tested for the same systems. The values of ln γ i and G E /RT in the CT mixing rules 20 were calculated from an activity coefficient model including the NRTL 21 and the UNIQUAC 22 models. The value of ϕ ̂i L of the CT mixing rules 20 was calculated from the SRK equation with the vdW mixing rules.…”

Section: Mixing Rulesmentioning

confidence: 99%

“…The values of ln γ i and G E /RT in the CT mixing rules 20 were calculated from an activity coefficient model including the NRTL 21 and the UNIQUAC 22 models. The value of ϕ ̂i L of the CT mixing rules 20 was calculated from the SRK equation with the vdW mixing rules. The adjustable binary interaction parameters of the CT mixing rules are the parameters of the embedded activity coefficient model.…”

Section: Mixing Rulesmentioning

confidence: 99%

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

Hong¹,

Hsieh

Lin

et al. 2012

Ind. Eng. Chem. Res.

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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 the VLE properties of the constituent binaries but also represents the ternary LLE and VLLE phase behavior reasonably well. Using this model, the vapor pressure data of the pure constituent components are the only required property for the phase equilibrium calculations.

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A simplified CEOS/AE mixing rule and its applications for vapor–liquid and liquid–liquid equilibrium predictions

Cited by 2 publications

References 18 publications

Calculation of Vapor–Liquid–Liquid Equilibria at Atmospheric and High Pressures

Calculation of Vapor–Liquid–Liquid Equilibria at Atmospheric and High Pressures

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

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