Calculation of interaction parameters for binary solid-SCF equilibria using several EOS and mixing rules

Caballero, A.; Hernández, Luz N.; Estévez, L. Antonio

doi:10.1016/0896-8446(92)90020-k

Cited by 31 publications

(24 citation statements)

References 21 publications

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“…For mixtures containing a supercritical solvent, it can be easily shown that while the above deviation for the calculated solvent concentration in the gas phase is of the order of 0.0001, a relatively small number, this difference means a big error for the calculated solute concentration. In another development Caballero et al (1992) defi ned a percentage average error (%Averr) to express the accuracy of %Averr) to express the accuracy of %Averr cubic equations of state to correlate experimental phase equilibrium data of several solid-gas systems. This average error %Averr is defi ned as: (2)…”

Section: Model Analysismentioning

confidence: 99%

Correct Way of Reporting Results when Modelling Supercritical Phase Equilibria using Equations of State

Valderrama

Álvarez

2008

Can. J. Chem. Eng.

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Dans cet article, on a analysé différentes formes trouvées dans la littérature pour exprimer l'erreur entre les variables d'équilibre de phases calculées utilisant des modèles d'équation d'état et des données expérimentales. Des données PTxy de pressions élevées pour des mélanges binaires contenant du dioxyde de carbone supercritique sont utilisées comme études de cas. La pratique commune d'utiliser la concentration de solvant au lieu de la concentration de soluté pour analyser la précision d'un modèle thermodynamique est examinée de manière critique. Plusieurs paramètres statistiques habituellement employés dans la littérature scientifi que sont considérés comme trompeurs et on montre qu'ils ne donnent pas une indication claire du degré de précision des résultats des modèles.

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Section: Model Analysismentioning

confidence: 99%

Correct Way of Reporting Results when Modelling Supercritical Phase Equilibria using Equations of State

Valderrama

Álvarez

2008

Can. J. Chem. Eng.

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“…Using both attractive (k 12 ) and repulsive (l 12 ) interaction terms in the EOS model, %AARD values on the order of 10-20% are obtainable. 24 However, separate k 12 and l 12 values must be calculated for each solute for each isotherm. In the LSER models of our previous studies, we calculated a set of six empirical coefficients that describe the phase equilibria of many different systems.…”

Section: Lser Modelingmentioning

confidence: 99%

Measurement and Modeling of the Water−R143A Partition Coefficients of Organic Solutes Using a Linear Solvation Energy Relationship

1999

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The water-R143a partition coefficients for a set of thirteen organic solutes have been measured using highpressure spectroscopy. Water partition coefficients of the organic solutes were measured in the gas and supercritical phases of 1,1,1-trifluoroethane (R143a). A linear solvation energy relationship (LSER) was developed to predict the measured water-R143a partition coefficients using the Abraham descriptors of the solute and an additional solvent descriptor as independent variables. Considering the entire water-R143a partition coefficient data, the LSER model has an average absolute relative deviation of 49.5%. Considering only the data above the critical density of R143a, the LSER has an average absolute relative deviation of 40.7%.

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“…Caballero et al 48 defined a percentage average error (% Averr) to express the accuracy of cubic equations of state to correlate experimental phase equilibrium data of several solid-gas systems as shown in eq 17:…”

Section: Resultsmentioning

confidence: 99%

Solubilities of AOT Analogues Surfactants in Supercritical CO₂ and HFC-134a Fluids

Liu

et al. 2006

J. Chem. Eng. Data

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A series of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) analogue surfactants [sodium dibutyl sulfosuccinate (DBSS), sodium dipentyl sulfosuccinate (DPSS), sodium dihexyl sulfosuccinate (DHSS), and sodium dioctyl sulfosuccinate (DOSS)] were synthesized and characterized with 1 H NMR and elemental analysis. The solubilities of surfactants in supercritical CO 2 (scCO 2 ) and supercritical 1,1,1,2-tetrafluoroethane (HFC-134a) fluids at a temperature range from (308 to 338) K and under pressures of (10 to 30) MPa were measured using a static method coupled with gravimetric analysis. The solubilities of these surfactants are much higher in HFC-134a fluid as compared with that in scCO 2 . The solubilities increased with increasing temperature and pressure for both scCO 2 and HFC-134a fluids. The solubilities in scCO 2 increased with increasing carbon atom number of surfactant, whereas they decreased with increasing carbon atom number of surfactant in HFC-134a. The density of scCO 2 was simulated with the Peng-Robinson (P-R) equation. The experimental data were used to validate the accuracy of the P-R equation.

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Calculation of interaction parameters for binary solid-SCF equilibria using several EOS and mixing rules

Cited by 31 publications

References 21 publications

Correct Way of Reporting Results when Modelling Supercritical Phase Equilibria using Equations of State

Correct Way of Reporting Results when Modelling Supercritical Phase Equilibria using Equations of State

Measurement and Modeling of the Water−R143A Partition Coefficients of Organic Solutes Using a Linear Solvation Energy Relationship

Solubilities of AOT Analogues Surfactants in Supercritical CO₂ and HFC-134a Fluids

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Calculation of interaction parameters for binary solid-SCF equilibria using several EOS and mixing rules

Cited by 31 publications

References 21 publications

Correct Way of Reporting Results when Modelling Supercritical Phase Equilibria using Equations of State

Correct Way of Reporting Results when Modelling Supercritical Phase Equilibria using Equations of State

Measurement and Modeling of the Water−R143A Partition Coefficients of Organic Solutes Using a Linear Solvation Energy Relationship

Solubilities of AOT Analogues Surfactants in Supercritical CO2 and HFC-134a Fluids

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Solubilities of AOT Analogues Surfactants in Supercritical CO₂ and HFC-134a Fluids