Thermodynamics for fluid mixtures near to and far from the vapor–liquid critical point

Cai, Jun; Prausnitz, John M.

doi:10.1016/j.fluid.2004.01.033

Cited by 43 publications

(83 citation statements)

References 42 publications

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“…The extension to mixtures is done following the isomorphism assumption, in the same way as Cai and Prausnitz [38]. Following this approach the one-component density is replaced by the total density of the mixture.…”

Section: The Crossover Soft-saft Equation Of Statementioning

confidence: 99%

Modeling the vapor–liquid equilibrium and association of nitrogen dioxide/dinitrogen tetroxide and its mixtures with carbon dioxide

Belkadi¹,

Llovell²,

Gerbaud³

et al. 2008

Fluid Phase Equilibria

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We have used in this work the crossover soft-SAFT equation of state to model nitrogen dioxide/dinitrogen tetraoxide (NO 2 /N 2 O 4 ), carbon dioxide (CO 2 ) and their mixtures. The prediction of the vapor -liquid equilibrium of this mixture is of utmost importance to correctly assess the NO 2 monomer amount that is the oxidizing agent of vegetal macromolecules in the CO 2 + NO 2 / N 2 O 4 reacting medium under supercritical conditions. The quadrupolar effect was explicitly considered when modeling carbon dioxide, enabling to obtain an excellent description of the vapor-liquid equilibria diagrams. NO 2 was modeled as a self associating molecule with a single association site to account for the strong associating character of the NO 2 molecule. Again, the vaporliquid equilibrium of NO 2 was correctly modeled. The molecular parameters were tested by accurately predicting the very few available experimental data outside the phase equilibrium. Soft-SAFT was also able to predict the degree of dimerization of NO 2 (mimicking the real NO 2 /N 2 O 4 situation), in good agreement with experimental data.Finally, CO 2 and NO 2 pure compound parameters were used to predict the vaporliquid coexistence of the CO 2 + NO 2 / N 2 O 4 mixture at different temperatures.Experimental pressure -CO 2 mass fraction isotherms recently measured were well described using a unique binary parameter, independent of the temperature, proving that the soft-SAFT model is able to capture the non-ideal behavior of the mixture.

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Section: The Crossover Soft-saft Equation Of Statementioning

confidence: 99%

Modeling the vapor–liquid equilibrium and association of nitrogen dioxide/dinitrogen tetroxide and its mixtures with carbon dioxide

Belkadi¹,

Llovell²,

Gerbaud³

et al. 2008

Fluid Phase Equilibria

View full text Add to dashboard Cite

show abstract

“…According to the isomorphism assumption [26][27][28][29] and the Kiselev's approximation [14], the one-component density in Eqs. (1)- (7) is replaced by the total density of all components under fixed composition [24]. Because the total density is here chosen as the order parameter, our work is applicable only to vapor-liquid equilibria.…”

Section: Theoretical Frameworkmentioning

confidence: 99%

“…(11) with virtual values, T c , p c and ω , obtained by fitting Eqs. (10) and (11) to pure-component vapor-liquid equilibrium data far away from the critical point [24]. When we use T c , p c and ω in the SRK equation of state, we refer to that equation as SRK1.…”

Section: Modelmentioning

confidence: 99%

“…Furthermore, White's theory can be applied to a fluid system whenever the classical equation of state for this fluid is known. Prausnitz recognized these merits of White's theory and applied it to engineering problem with his co-workers [22][23][24]; the papers published include our contribution.…”

Section: Introductionmentioning

confidence: 99%

“…Nevertheless, as shown by Kiselev and Friend [14], choosing mole fractions as independent variables provides a good approximation to the original isomorphism assumption, although some scaling behavior is not correctly represented. In our previous work [24], an RG correction to a classical equation of state was developed with the use of Fisher's isomorphism assumption, Kiselev's approximation and White's recursive procedure. The critical loci for some pseudo-binary alkanes were calculated; however, no comparison with experiments was made.…”

Section: Introductionmentioning

confidence: 99%

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