Equilibrium phase compositions, phase densities, and interfacial tensions for carbon dioxide + hydrocarbon systems. 6. Carbon dioxide + n-butane + n-decane

Gasem, K.A.M.; Dickson, Kenneth B.; Dulcamara, Peter B.; Nagarajan, Niranjan; Robinson, Robert L.

doi:10.1021/je00061a002

Cited by 59 publications

(28 citation statements)

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“…Considering the high proportion of CO 2 and the presence of a light hydrocarbon (nC 4 ) and an heavier one (nC 10 ), this synthetic mixture can be used to model the behaviour of a real fluid in gas injection processes. As for the two CO 2 /hydrocarbon binary mixtures, experimental surface tension data have been published together with the densities and compositions in the bulk phases at equilibrium [58]. Binary interaction parameters and volume corrections are used to fit the saturation pressure, the equilibrium compositions and densities.…”

Section: Co 2 /Hydrocarbons Mixturementioning

confidence: 99%

Modelling of the surface tension of binary and ternary mixtures with the gradient theory of fluid interfaces

Miqueu

Mendiboure

Graciaa

et al. 2004

Fluid Phase Equilibria

158

177

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Section: Co 2 /Hydrocarbons Mixturementioning

confidence: 99%

Modelling of the surface tension of binary and ternary mixtures with the gradient theory of fluid interfaces

Miqueu

Mendiboure

Graciaa

et al. 2004

Fluid Phase Equilibria

158

177

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“…Because the apparatus and methods for measuring the interfacial tension between CO 2 and organic liquids under high pressure are more complex, the interfacial tension data between CO 2 + organic liquids under high pressure and temperature are also less reported. The Nagarajan research group reported the interfacial tensions for CO 2 + n-butane, CO 2 + ndecane, CO 2 + cyclohexane, CO 2 + benzene, CO 2 + n-tetradecane and CO 2 + n-butane + n-decane systems [15][16][17][18][19].…”

Section: Introductionmentioning

confidence: 99%

Interfacial Tension of CO2 and Organic Liquid under High Pressure and Temperature

Yang

Peng

et al. 2014

Chinese Journal of Chemical Engineering

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“…The results from both methodologies will be compared to the available experimental measurements [23,25,[48][49][50] and previous theoretical [21,23,51,52] and molecular simulation works [23].…”

Section: Resultsmentioning

confidence: 99%

“…Specifically, we consider as a base case the mixture conforms by carbon dioxide + n-butane + n-decane at the isothermal condition of 344.3 K. This selection is based on the facts that this mixture exemplifies the range of the CO 2 + n-alkane mixtures involved in EOR and CCS and experimental data for phase equilibrium, densities and interfacial tension are available [25].…”

Section: Introductionmentioning

confidence: 99%

Phase behaviour and interfacial properties of ternary system CO₂ + n-butane + n-decane: coarse-grained theoretical modelling and molecular simulations

Mejı́a

2016

Molecular Physics

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This work illustrates the application of a three-party approach based on theoretical modelling, molecular dynamic (MD) simulations and available experimental data for describing the phase equilibrium and interfacial properties for the ternary system: carbon dioxide + n-butane + n-decane and its corresponding binary sub-systems at 344.3 K. Specifically, a coarse-grained force field is employed for both theoretical predictions and MD. The interfacial region is described by the square gradient theory where the homogenous Helmholtz energy density contribution is provided by the Statistical Associated Fluid Theory equation of state for potentials of variable range for molecules conformed of segments interacting through the Mie potential (SAFT-VR Mie) and MD simulations in the canonical ensemble where the molecules are represented by a coarse-grained Mie force field. The novelty here is that both the theory and the simulations uniquely share the same underlying intermolecular potentials; hence, the experimental data are employed to verify both the theory and simulations. In this schema, the ternary mixture is full predictive as its parameters are only based on pure fluids parameters and binary interactions. It is observed that the phase equilibria and the interfacial properties are equally well represented by the used approach.

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Equilibrium phase compositions, phase densities, and interfacial tensions for carbon dioxide + hydrocarbon systems. 6. Carbon dioxide + n-butane + n-decane

Cited by 59 publications

References 1 publication

Modelling of the surface tension of binary and ternary mixtures with the gradient theory of fluid interfaces

Modelling of the surface tension of binary and ternary mixtures with the gradient theory of fluid interfaces

Interfacial Tension of CO2 and Organic Liquid under High Pressure and Temperature

Phase behaviour and interfacial properties of ternary system CO₂ + n-butane + n-decane: coarse-grained theoretical modelling and molecular simulations

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Equilibrium phase compositions, phase densities, and interfacial tensions for carbon dioxide + hydrocarbon systems. 6. Carbon dioxide + n-butane + n-decane

Cited by 59 publications

References 1 publication

Modelling of the surface tension of binary and ternary mixtures with the gradient theory of fluid interfaces

Modelling of the surface tension of binary and ternary mixtures with the gradient theory of fluid interfaces

Interfacial Tension of CO2 and Organic Liquid under High Pressure and Temperature

Phase behaviour and interfacial properties of ternary system CO2 + n-butane + n-decane: coarse-grained theoretical modelling and molecular simulations

Contact Info

Product

Resources

About

Phase behaviour and interfacial properties of ternary system CO₂ + n-butane + n-decane: coarse-grained theoretical modelling and molecular simulations