Binary Vapor-Liquid Equilibrium (VLE) Correlation Including Heat of Mixing Data Explicitly

Lowell, P.S.

doi:10.1021/i260034a021

Cited by 4 publications

(3 citation statements)

References 3 publications

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“…VLE data by Perelygin and Suntsov were discarded for violating the condition (c) established in section ; the other data series are depicted in Figure S2. Another 12 papers ,,− in which h E is measured in the interval [295–413] K are incorporated into the data set. The consistency test (see Table S1) declared 13 VLE data series as inconsistent, and of the others, four were used to define the model and five to test its extrapolation capability.…”

Section: Dataset Descriptionmentioning

confidence: 99%

The Parametrization Problem in the Modeling of the Thermodynamic Behavior of Solutions. An Approach Based on Information Theory Fundamentals

Sosa

Fernández

Ortega

et al. 2019

Ind. Eng. Chem. Res.

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This work shows a new approach to the parameter-fitting problem useful in the solutions thermodynamic field, providing a more objective framework to obtain better empirical/semiempirical models for chemical engineering applications. A model based on the excess Gibbs energy function g E is used to represent the behavior of real solutions, together with its first derivative h E, using a combined modeling under the paradigm of multiobjective optimization. The problem is formulated as an MINLP methodology to simultaneously consider two aspects: the model complexity and the best parametrization to prevent the overfitting, controlling the trade-off between them by applying the Akaike Information Criterion to g E residuals. Two different solvers, one deterministic (SBB/CONOPT) and another evolutionary (GA), are used, and their ability to solve the problem is analyzed. The designed methodology is applied to three highlighted VLE cases in chemical engineering, and the results obtained show the ability of the method to get the best model in each case. The proposed methodology proved useful for modulating the number of parameters considering the imposed requirements, which decrease as the accuracy requirements for h E are relaxed. The efficient-fronts obtained show a small trade-off region, noting that the proposed framework provides the simplest models with the minimum completeness uncertainty.

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Section: Dataset Descriptionmentioning

confidence: 99%

The Parametrization Problem in the Modeling of the Thermodynamic Behavior of Solutions. An Approach Based on Information Theory Fundamentals

Sosa

Fernández

Ortega

et al. 2019

Ind. Eng. Chem. Res.

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show abstract

“…c) USE OF AUXILIARY DATA Among the auxiliary data types, those of H E and C: are useful in establishing an accurate temperature dependence of GE. In the past an attempt has been made in this direction by fitting experimental H E data to the temperaturedifferentiated forms of the Margules, Wilson, NRTL, LEMF or UNIQUAC equations (Garcia Calzon et al, 1986;Hanks et al, 1971;Lowell and Van Winkle, 1970). The final equations are still subject to the same limitations as the original models.…”

Section: B) Binary Datamentioning

confidence: 99%

Coupled optimization and evaluation of phase equilibria and thermodynamic properties of the benzene‐cyclohexane system

Sangster¹,

Talley²,

Bale³

et al. 1988

Can J Chem Eng

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An extensive review of reported vapour-liquid equilibrium, solid-liquid equilibrium, excess enthalpy, excess heat capacity and other phase equilibrium and thermodynamic data for the system benzene-cyclohexane is presented. Selected phase equilibrium and thermodynamic data have been simultaneously optimized and fitted to a single polynomial series expression in composition and temperature for the excess Gibbs energy of the liquid. This expression has been used to evaluate all the diverse types of data known for this system. This single expression gives a self-consistent description of all known data in the very wide temperature interval 232-500 K. On a fait I'examen dCtaillt des donnCes expkrimentales des Cquilibres liquide-vapeur et solide-liquide, de I'enthalpie d'excts, de la capacitC calorifique d'excts, ainsi que d'autres donntes thermodynamiques et d'autres kquilibres de phases du systtme benztne-cyclohexane. Pour decrire analytiquement I'enthalpie libre de Gibbs d'excts du liquide, certaines donnees (Cquilibre de phases et thermochimiques simultankment) ont ttC optimistes et IissCes. La simple expression obtenue est d'une sCrie polynomiale de la composition. Cette simple expression a CtC utilisCe pour Cvaluer toutes les donnCes connues de ce systtme, et elle les dCcrits d'une maniere cohtrente, dans la gamme de temp6rature 232-500 K.

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“…Recent published attempts to correlate, simultaneously, HE and GB (or activity coefficient) data include those of Orye (1965) and Lowell and Van Winkle (1970). Orye attempted the prediction of HE from GB data using the Wilson equation and a modification of it.…”

Section: Activity Coefficient Predictionmentioning

confidence: 99%

New Two-Parameter Local-Composition Equation Capable of Correlating Partial Miscibility

Palmer¹,

Smith²

1972

Ind. Eng. Chem. Proc. Des. Dev.

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w = capacity ratio in batch stirred-tank experiments, z = dimensionless diffusivity parameter, Equation 9 (-) y = dimensionless time parameter, Equation 10 (-) 2 = column length, em VIVRK (-) GRCCK LCTTCRS P = .r= BR = x = P = t = l J = 7 = variable of Equation 13 (-) bed voidage (-) dimensionless time parameter, Equation 4 ; meclisuperficial residence time, Equation 2, see or mill liquor viscosity, g/cm/sec dimeiisionless resistance parameter, Equation 11 (-) dimensionless time parameter, Equation 5 (-)anism parameter (-)

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Binary Vapor-Liquid Equilibrium (VLE) Correlation Including Heat of Mixing Data Explicitly

Cited by 4 publications

References 3 publications

The Parametrization Problem in the Modeling of the Thermodynamic Behavior of Solutions. An Approach Based on Information Theory Fundamentals

The Parametrization Problem in the Modeling of the Thermodynamic Behavior of Solutions. An Approach Based on Information Theory Fundamentals

Coupled optimization and evaluation of phase equilibria and thermodynamic properties of the benzene‐cyclohexane system

New Two-Parameter Local-Composition Equation Capable of Correlating Partial Miscibility

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