Vle Molecular Thermodynamics of Nonpolar Fluids and Their Mixtures

Cuadros, F.; Mulero, A.; Okrasiński, W.; Faúndez, Claudio A.; Parra, M. Isabel

doi:10.1515/revce.2003.19.4.387

Cited by 16 publications

(13 citation statements)

References 39 publications

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“…(1) must be related to the slope of the rectilinear diameter. In seeking to establish a simple procedure to estimate this coefficient, we studied its behavior for several fluids in relation to the wellknown behavior for Lennard-Jones fluids [17][18][19][20][21][22]. We observed the following simple relationship:…”

Section: Model For the Vapor-liquid Saturation Densitiesmentioning

confidence: 99%

“…The starting point in constructing the model is the use of the rectilinear diameter law and the temperature derivatives of the densities. The result is a simple analytical expression with which these densities can be reproduced for any temperature, even near the critical point [16,21].…”

Section: Introductionmentioning

confidence: 97%

“…As a step in the search for a more universal model, Okrasinski et al [16] have proposed an analytical model that reproduces both the vapor and liquid saturation densities at vapor-liquid equilibrium of Lennard-Jones fluids obtained by Lotfi et al [17] by computer simulation, as well as of those obtained from equations of state [18][19][20][21]. The starting point in constructing the model is the use of the rectilinear diameter law and the temperature derivatives of the densities.…”

Section: Introductionmentioning

confidence: 99%

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A New Analytical Model for the Prediction of Vapor–Liquid Equilibrium Densities

2006

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A new simple, predictive model for estimating both the vapor and the liquid densities of fluids at the vapor-liquid equilibrium is presented. It is based on the symmetry of the derivatives of the two saturation densities with respect to the temperature, which is a consequence of applying the rectilinear diameter law. No adjustable coefficients are involved, and only two parametersboth with certain physical meaning-have to be calculated for each fluid. The method used for these calculations is straightforward, the required inputs being the critical temperature and density, and the value of the vapor and liquid densities at a reference temperature. The results show that the model is accurate for fluids of different kinds as long as the rectilinear diameter law holds, and that, in general, the accuracy is better than that of the most recent model with no adjustable coefficients.

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Section: Model For the Vapor-liquid Saturation Densitiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 97%

Section: Introductionmentioning

confidence: 99%

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A New Analytical Model for the Prediction of Vapor–Liquid Equilibrium Densities

2006

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“…The other recent expression is the one proposed by our research team. It is a new kind of correlation for the vapor-liquid properties of nonpolar fluids (Faú ndez et al, 2000;Cuadros et al, 2003), based on the use of the Lennard-Jones molecular parameters and the acentric factor as input data. In particular, for saturated liquid density the model reproduces the data for 42 nonpolar substances, as given by the correlation functions proposed by the the American Institute of Chemical Engineers' Design Intitute for Physical Property Data (DIPPR) project (Thomson and Larsen, 1996), which are specific for each substance.…”

Section: Introductionmentioning

confidence: 99%

Comparison of Predictive Correlations for the Normal Boiling Density of Nonpolar Fluids

Mulero

Cachadiña

Cuadros

2006

Chemical Engineering Communications

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Seven empirical correlations for the calculation of the normal boiling density of non polar pure fluids are studied for their accuracy and applicability. One of the correlations is specific only for the normal boiling density, five are based on the corresponding states method (these need the critical parameters and acentric factor as inputs), and the other is a new kind of correlation that uses the Lennard-Jones molecular parameters and the acentric factor as input data. As reference, we take the value for the normal boiling density given by the specific correlation functions proposed in the DIPPR project for 252 nonpolar fluids, grouped into 17 families. In view of the results, we recommend the use of the Yamada-Gunn expression because of its simplicity and because other, less simple, models represent no clear improvement over its accuracy. We also recommend the use of the molecular-parameter model because it gives very good results for some families of fluids.

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“…The SMN0 model was proposed by Mchaweh et al 22 and uses the Soave-Redlich-Kwong equation of state temperature-dependent term and, hence, no adjustable coefficients. Finally, the FMC model is a new kind of correlation for the vapor-liquid properties of nonpolar fluids, 23,24 on the basis of the application of the molecular version of the corresponding states principle and then on the use of the Lennard-Jones molecular parameters and the acentric factor as input data. In particular, for the saturated liquid density the correlation model is a cubic function of the molecular reduced temperature and a quadratic function of the acentric factor.…”

Section: Introductionmentioning

confidence: 99%

Liquid Saturation Density from Predictive Correlations Based on the Corresponding States Principle. 2. Results for 49 Families of Fluids

Mulero

Cachadiña

Parra

2006

Ind. Eng. Chem. Res.

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Nine empirical correlations for the calculation of the liquid saturation density of pure fluids are studied for their accuracy and applicability. All of them are based on the corresponding states principle, and we include very recent proposals. They require as inputs the critical parameters, the acentric factor, and/or the LennardJones molecular parameters. In the first part of this paper we applied these models to 552 fluids grouped into 30 families. In this second part, we use the data accepted by the DIPPR project for 873 substances more, grouped into 49 families. Recommendations are given for the use of each model and for the choice of the adequate model for each family of fluids, including for particular fluids.

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Vle Molecular Thermodynamics of Nonpolar Fluids and Their Mixtures

Cited by 16 publications

References 39 publications

A New Analytical Model for the Prediction of Vapor–Liquid Equilibrium Densities

A New Analytical Model for the Prediction of Vapor–Liquid Equilibrium Densities

Comparison of Predictive Correlations for the Normal Boiling Density of Nonpolar Fluids

Liquid Saturation Density from Predictive Correlations Based on the Corresponding States Principle. 2. Results for 49 Families of Fluids

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