Phase behavior of carbon dioxide mixtures with n-alkanes and n-perfluoroalkanes

Colina, Coray M.; Galindo, Amparo; Blas, Felipe J.; Gubbins, Keith E.

doi:10.1016/j.fluid.2004.06.021

Cited by 47 publications

(54 citation statements)

References 56 publications

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“…Dotted lines correspond to the predictions using the SAFT-VR approach, and solid lines correspond to the square-well quadrupolar fluid of Reference [35]. Molecular parameters for the 3D SAFT-VR prediction are taken from Reference [32]. Circles and triangles are the experimental values for Gibbs and absolute adsorptions, respectively, taken from Reference [31].…”

Section: Adsorption Isotherms For Carbon Dioxidementioning

confidence: 99%

“…Gibbs and absolute adsorption isotherms were obtained according to Equations 2 and 3, respectively, and compared with experimental data reported in Reference [31]. Bulk and adsorbed fluids were modelled using the same parameters reported in previous studies for carbon dioxide, considered as a chain molecule with two segments, within the SAFT-VR approach [32]. In Table 1, the molecular parameters used are reported.…”

Section: Adsorption Isotherms For Carbon Dioxidementioning

confidence: 99%

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Molecular Thermodynamics of Adsorption using Discrete-Potential Systems

Jiménez

Santillán

Avendaño

et al. 2008

Oil & Gas Science and Technology - Rev. IFP

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Résumé -Thermodynamique moléculaire de l'adsorption à l'aide de systèmes à potentiels discrets -Un modèle thermodynamique de fluide basé sur des potentiels discrets a été développé pour décrire l'adsorption sur une surface solide. À l'aide de théories de la perturbation, comme la théorie SAFT (Statistical Associating Fluid Theory), et la théorie DPT (Discrete Potential Theory), en combinaison avec la simulation moléculaire, nous avons formulé une approche bi-dimensionnelle qui permet de décrire des systèmes qui intéressent l'industrie pétrolière, tels les isothermes d'adsorption du CO 2 ou des asphaltènes. Abstract -Molecular Thermodynamics of Adsorption using Discrete-Potential Systems

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Section: Adsorption Isotherms For Carbon Dioxidementioning

confidence: 99%

Section: Adsorption Isotherms For Carbon Dioxidementioning

confidence: 99%

Molecular Thermodynamics of Adsorption using Discrete-Potential Systems

Jiménez

Santillán

Avendaño

et al. 2008

Oil & Gas Science and Technology - Rev. IFP

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show abstract

“…The theory requires eight molecular parameters for each pure compound, and four of them were taken from previous studies using the SAFT-VR approach for bulk phases: methane (Martínez et al 2007 andMcCabe et al 1999), nitrogen (Zhao et al 2006), carbon dioxide (Colina et al 2004). These parameters are: the number of segments, m, the diameter of monomers, σ , the energy depth, , and the range, λ, of the SW particle-particle interaction.…”

Section: Resultsmentioning

confidence: 99%

2D-SAFT-VR approach to study of the adsorption isotherms for binary mixtures

Castro

Martı́nez

2012

Adsorption

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In this article we present results of approximating molecular modeling of the gas mixtures methane-nitrogen, methane-carbon dioxide, and nitrogen-carbon dioxide adsorbed on activated carbon at a temperature of 318.2 K, based on the Statistical Associating Fluid Theory for potentials of Variable Range. Unlike the previous work (Castro et al.) showing the results in rescaled units, in this work the results obtained are shown in real units as obtained in the experiments.

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“…The molecular parameters for the pure components are reported in Table 1. The theory requires eight molecular parameters for each pure compound; four of these were taken from previous studies using the SAFT-VR approach for the bulk phases of methane (Gil-Villegas et al 1997;McCabe et al 1998), nitrogen (Zhao et al 2006) and carbon dioxide (Colina et al 2004). These parameters were the number of segments, m, the diameters of the monomers, σ, the energy well depth, ε, and the range, λ, of the SW particle-particle interactions.…”

Section: Resultsmentioning

confidence: 99%

Modelling Adsorption Isotherms of Binary Mixtures of Carbon Dioxide, Methane and Nitrogen

Castro

Martı́nez

Gil‐Villegas

2011

Adsorption Science & Technology

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A molecular-based approach for modelling mixtures adsorbed onto solid surfaces using the Statistical Associating Fluid Theory for Potentials of Variable Range (SAFT-VR) for three-and two-dimensional systems is presented in this work. The theory is used to describe the adsorption of binary mixtures of carbon dioxide, methane and nitrogen onto dry activated carbon, describing the overall adsorption phase diagram reported for these systems even at high pressures.

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Phase behavior of carbon dioxide mixtures with n-alkanes and n-perfluoroalkanes

Cited by 47 publications

References 56 publications

Molecular Thermodynamics of Adsorption using Discrete-Potential Systems

Molecular Thermodynamics of Adsorption using Discrete-Potential Systems

2D-SAFT-VR approach to study of the adsorption isotherms for binary mixtures

Modelling Adsorption Isotherms of Binary Mixtures of Carbon Dioxide, Methane and Nitrogen

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