Ability of the Prigogine–Flory–Patterson model to predict partial molar volumes of binary liquid mixtures

Galvão, Alessandro Cazonatto; Franzosi, L.G.; Luz, Andréia Machado Da; Schneider, Renata; Robazza, Weber da Silva

doi:10.1016/j.molliq.2014.12.042

Cited by 12 publications

(4 citation statements)

References 23 publications

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“…In the literature, the excess volume is often modeled with a Redlich–Kister-type equation, − which can be described by For binary mixtures, when the summation is limited to the first two terms, it reduces to This can be expanded into a third-order polynomial: Referring to CO 2 as component 1 and cyclohexane as component 2, the present excess volume data were fitted to this third-order polynomial and the parameters A 0 and A 1 were evaluated using mole fractions describing each composition. They were then fitted to the following second-order polynomials to describe the temperature dependence of these parameters: The coefficients a , b , c , d , e , and f were then fit to second-order polynomials of the form to describe their variations with pressure ( P ).…”

Section: Resultsmentioning

confidence: 96%

Volumetric Properties and Solubility Parameters of Cyclohexane + CO₂ Mixtures at High Pressures and Their Modeling with the Sanchez–Lacombe Equation of State

Williams

Dickmann

Hassler

et al. 2017

Ind. Eng. Chem. Res.

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Densities of mixtures of cyclohexane and carbon dioxide containing 0 to 50 wt % CO2 were determined using a variable-volume view cell at pressures ranging from 5 to 35 MPa and temperatures ranging from 313 to 393 K covering a density range from 0.55 to 0.83 g/cm3. The data were modeled with the Sanchez–Lacombe (S-L) equation of state (EOS). Modeling was conducted both by treating each mixture as a pseudopure compound and by using the S-L parameters for the pure components with a composition- and temperature-dependent interaction parameter. Various thermodynamic properties for the mixtures such as the isothermal compressibility, isobaric expansivity, internal pressure, excess volumes, and solubility parameters were then evaluated. Mixture excess volumes were also determined, and they were modeled with Redlich–Kister type equations. The mixture density data were also modeled using the S-L parameters for pure components and a composition- and temperature-dependent interaction parameter. Isothermal compressibilities ranged from 0.0008 MPa–1 for pure cyclohexane at 313 K and 35 MPa to 0.013 MPa–1 for the mixture containing 50 wt % CO2 at 393 K and 20 MPa. Isobaric expansivities ranged from 0.0008 K–1 for cyclohexane at 35 MPa and 313 K to 0.0035 K–1 for the 50 wt % CO2 mixture at 20 MPa and 393 K. Internal pressures ranged from 83.8 MPa for 50 wt % CO2 mixture at 20 MPa and 393 K to 275.5 MPa for cyclohexane at 35 MPa and 313 K. Solubility parameters ranged from 16.6 MPa0.5 for cyclohexane at 35 MPa and 313 K to 9.2 MPa0.5 for 50 wt % CO2 mixture at 20 MPa and 393 K. The mixtures showed a high degree of nonideality with excess volumes ranging from approximately −20 cm3 mol–1 for 50 wt % CO2 mixture at 20 MPa and 393 K to +2 cm3 mol–1 also for the 50 wt % CO2 mixture at 20 MPa, but at 313 K.

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Section: Resultsmentioning

confidence: 96%

Volumetric Properties and Solubility Parameters of Cyclohexane + CO₂ Mixtures at High Pressures and Their Modeling with the Sanchez–Lacombe Equation of State

Williams

Dickmann

Hassler

et al. 2017

Ind. Eng. Chem. Res.

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“…It is derived from the contribution of a constituent to the total volume of the mixture . The partial molar volume of component 1 (GVL) and of component 2 (2-ME, 2-EE, 2-PE, and 2-BE) in these mixtures over the entire composition range were calculated by using the following relations where V m,1 * and V m,2 * are the molar volumes for pure components, GVL and 2-alkoxyethanols, respectively. The derivative in eqs and was obtained by differentiation of eq , which leads to eqs and for and …”

Section: Resultsmentioning

confidence: 99%

Volumetric, Optical, and Spectroscopic Study of Molecular Interactions for Binary Liquid Mixtures of Gamma-Valerolactone with 2-Alkoxyethanols

Kataria

Rani

2022

J. Chem. Eng. Data

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Physical parameters such as densities, ρ, and refractive indices, n D , of pure gamma-valerolactone/2-alkoxyethanols and their binaries have been determined over the whole composition range at different temperatures (298.15, 303.15, 308.15, and 313.15 K) and pressure = 0.1 MPa. From the experimental results, excess properties such as excess molar volumes, V m E , deviations in refractive indices, Δ ϕ n D , and deviations in molar refractions, Δ ϕ R M , have been calculated. The predicted data were fitted to the Redlich−Kister-type polynomial equation to derive the binary interaction parameters and recognize standard deviations between experimental and calculated values of the liquid solutions. Furthermore, the partial molar volumes, V m,1 , V m,2 , and excess partial molar volumes, V m,1 E , V m,2 E , were also computed. The Prigogine−Flory−Patterson theory and Graph theory were employed to correlate experimental V m E values. The departure of real mixtures from ideal behavior was interpreted in terms of strength and nature of molecular interactions. Furthermore, Fourier-transform infrared spectroscopy studies of the investigated solution along with pure components were also reported to obtain a better insight into intermolecular interactions between unlike molecules. In our study, positive values of V m E and negative values of Δ ϕ n D were observed, which suggests weak dispersion forces between dissimilar molecules.

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“…0,7936 [21] 0,9991 [21] 1,3627 [21] 1,3334 [18] 293,15 0,7897 [22] 0,9982 [19] 1,3601 [19] 1,3330 [18] 298,15 0,7853 [22] 0,9970 [19] 1,3593 [07] 1,3324 [07] Los datos de densidad estimados para las soluciones acuosas de etanol son comparados con los estimados a través de la relación de Gladstone-Dale, dada por la ecuación (9), obteniéndose resultados aproximados a los estimados a través del método utilizado en esta investigación, como se puede observar en la tabla 5, y, por tanto, esta comparación funciona como método de validación, lo cual garantiza que los datos obtenidos de densidad para las soluciones acuosas de [Emim]…”

Section: Resultados Y Análisisunclassified

“…Donde V 2 y V m representan el volumen molar parcial del componente 2 y el volumen molar de la mezcla, respectivamente [17,18].…”

Section: Descripción Teórica De La Estimación De La Densidad Y Propieunclassified

Propiedades volumétricas de soluciones acuosas de etanol y [Emim]+ [CF3SO3]− a partir de datos de índice de refracción

Madrid-Úsuga

Baquero

Lamadrid

2015

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Las densidades de las soluciones acuosas de etanol y de 1-Etil-3-Metilimidazolio Trifluorometanosulfonato [Emim]+[CF3SO3]− fueron estimadas a partir de datos de índice de refracción a diferentes temperaturas; los resultados obtenidos se encuentran dentro del intervalo de confianza establecido para las densidades reportadas en la literatura para estos sistemas y de las calculadas empleando la ecuación de Gladstone-Dale (GD). Las densidades estimadas en esta investigación se utilizaron para los cálculos de los volúmenes molares y volúmenes molares parciales a dilución infinita. Los datos de volumen molar parcial se correlacionaron con la concentración de soluto y la temperatura, para estudiar cualitativamente las interacciones presentes en las soluciones acuosas tratadas. Se encontró que el sistema [Emim]+[CF3SO3]− + agua tiene un carácter disruptor sobre las moléculas de agua, mientras que en el sistema etanol + agua predomina el efecto hidrofílico sobre el hidrofóbico.

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Ability of the Prigogine–Flory–Patterson model to predict partial molar volumes of binary liquid mixtures

Cited by 12 publications

References 23 publications

Volumetric Properties and Solubility Parameters of Cyclohexane + CO₂ Mixtures at High Pressures and Their Modeling with the Sanchez–Lacombe Equation of State

Volumetric Properties and Solubility Parameters of Cyclohexane + CO₂ Mixtures at High Pressures and Their Modeling with the Sanchez–Lacombe Equation of State

Volumetric, Optical, and Spectroscopic Study of Molecular Interactions for Binary Liquid Mixtures of Gamma-Valerolactone with 2-Alkoxyethanols

Propiedades volumétricas de soluciones acuosas de etanol y [Emim]+ [CF3SO3]− a partir de datos de índice de refracción

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Ability of the Prigogine–Flory–Patterson model to predict partial molar volumes of binary liquid mixtures

Cited by 12 publications

References 23 publications

Volumetric Properties and Solubility Parameters of Cyclohexane + CO2 Mixtures at High Pressures and Their Modeling with the Sanchez–Lacombe Equation of State

Volumetric Properties and Solubility Parameters of Cyclohexane + CO2 Mixtures at High Pressures and Their Modeling with the Sanchez–Lacombe Equation of State

Volumetric, Optical, and Spectroscopic Study of Molecular Interactions for Binary Liquid Mixtures of Gamma-Valerolactone with 2-Alkoxyethanols

Propiedades volumétricas de soluciones acuosas de etanol y [Emim]+ [CF3SO3]− a partir de datos de índice de refracción

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Volumetric Properties and Solubility Parameters of Cyclohexane + CO₂ Mixtures at High Pressures and Their Modeling with the Sanchez–Lacombe Equation of State

Volumetric Properties and Solubility Parameters of Cyclohexane + CO₂ Mixtures at High Pressures and Their Modeling with the Sanchez–Lacombe Equation of State