Interfacial properties of selected binary mixtures containing n-alkanes

Müller, Erich A.; Mejı́a, Andrés

doi:10.1016/j.fluid.2009.04.022

Cited by 108 publications

(135 citation statements)

References 74 publications

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“…Invoking the SGT, the interfacial tension of a binary mixture, γ, is given by the following integral expression: [23][24][25][26][27][28][29][30][31][32][33][34][35]66,67]…”

Section: Square Gradient Theory For Modeling Of Phase Equilibrium Andmentioning

confidence: 99%

“…On the other hand, theoretical descriptions of these mixtures have been made by employing Density Functional Theory (DFT) [13,14,22], Density Gradient Theory (DGT) or Square Gradient Theory (SGT) [23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38]. Furthermore, molecular simulations based either on Molecular Dynamics or Monte Carlo schemes have also been employed [19,30,31,39,40,41] to garner information on the interfacial properties of these systems. An analysis of the above mentioned references reveals that there are key points that must be taken into account: First, an unequivocal full description of interfacial properties requires -at least-two independent approaches, as some previous works have demonstrated (see for instance and references therein).…”

Section: Introductionmentioning

confidence: 99%

“…As part of our ongoing research work, which is devoted to the description of interfacial properties for CO 2 + n-alkanes mixtures [28][29][30][31], this work is focused on the experimental determination and theoretical modeling of bulk phase equilibrium densities and interfacial tensions of the CO 2 + ndodecane (n-C 12 H 26 ), CO 2 + n-tridecane (n-C 13 H 28 ), and CO 2 + n-tetradecane (n-C 14 H 30 ) binary mixtures at 344.15 K and over the pressure range 0.1 to 12, 13, and 14 MPa, respectively. CO 2 + n-alkane mixtures exhibit interesting and complex bulk phase and interfacial behavior and some results are available for the above-mentioned mixtures.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

High-pressure densities and interfacial tensions of binary systems containing carbon dioxide+n-alkanes: (n-Dodecane, n-tridecane, n-tetradecane)

Cumicheo

Cartes

Segura

et al. 2014

Fluid Phase Equilibria

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“…Invoking the SGT, the interfacial tension of a binary mixture, γ, is given by the following integral expression: [23][24][25][26][27][28][29][30][31][32][33][34][35]66,67]…”

Section: Square Gradient Theory For Modeling Of Phase Equilibrium Andmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

High-pressure densities and interfacial tensions of binary systems containing carbon dioxide+n-alkanes: (n-Dodecane, n-tridecane, n-tetradecane)

Cumicheo

Cartes

Segura

et al. 2014

Fluid Phase Equilibria

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“…Muller at al. [31] and Mejia et al [32] also applied GT predictively for mixtures, in this case using SAFT equations of state, and obtained good results for (alcohol + water) and (CO2 + hydrocarbon) systems. On the other hand, to adequately represent the IFT of the more challenging (CO2 + H2O) system by means of a GT, Lafitte et al [33] resorted to fitting the unlike influence parameter.…”

Section: Introductionmentioning

confidence: 99%

Interfacial tensions of the (CO 2 + N 2 + H 2 O) system at temperatures of (298 to 448) K and pressures up to 40 MPa

Chow

Maitland

Trusler

2016

The Journal of Chemical Thermodynamics

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Interfacial tension measurements of the (CO2 + N2 + H2O) and (N2 + H2O) systems are reported at pressures of (2 to 40) MPa, and temperatures of (298.15 to 448.15) K. The pendant drop method was used in which it is necessary to know the density difference between the two phases. To permit calculation of this difference, the compositions of the coexisiting phases were first computed from a combination of the Peng-Robinson equation of state (applied to the non-aqueous phase) and the NRTL model (applied to the aqueous phase). Densities of the non-aqueous phase were computed from the GERG-2008 equation of state, while those of the aqueous phase were calculated knowing the partial molar volumes of the solutes. The expanded uncertainties at 95% confidence are 0.05 K for temperature, 0.07 MPa for pressure, 0.019·γ for interfacial tension in the binary (N2 + H2O) system; and 0.032γ for interfacial tension in the ternary (CO2 + N2 + H2O) system. The interfacial tensions in both systems were found to decrease with both increasing pressure and increasing temperature. An empirical correlation has been developed for the interfacial tension of the (N2 + H2O) system in the full range of conditions investigated, with an average absolute deviation of 0.20 mN·m -1 , and this is used to facilitate a comparison with literature values. Estimates of the interfacial tension for the (CO2 + N2 + H2O) ternary system, by means of empirical combining rules based on the coexisting phase compositions and the interfacial tensions of the binary sub-systems, (N2 + H2O) and (CO2 + H2O), were found to be somewhat inadequate at low temperatures, with an average absolute deviation of 1.9 mN·m -1 for all the conditions investigated. To enable this analysis, selected literature data for the interfacial tensions of the (CO2 + H2O) binary system have been re-analysed, allowing for improved estimates of the density difference between the two phases. The revised result on eleven isotherms were fitted with empirical models that generally represent the data to within 1 mN·m -1 .

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“…Numerous studies in which a SAFT-like description is used within a DGT formalism to describe the interfacial properties of fluid mixtures have now been made [49][50][51][52][53][54] .…”

mentioning

confidence: 99%

Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range

Llovell

Galindo

Blas

et al. 2010

The Journal of Chemical Physics

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The SAFT-VR DFT Helmholtz free energy functional developed by Gloor et al., [J. Chem. Phys. 121, 12740 (2004)] is revisited and generalised to treat mixtures. The functional, which is based on the statistical associating fluid theory for attractive potentials of variable range (SAFT-VR) for homogeneous fluids, is constructed by partitioning the free energy density into a reference term (which incorporates all of the short-range interactions and is treated locally) and an attractive perturbation (which incorporates the long-range dispersion interactions). In this work, two different functionals are compared. In the first, one uses a mean-field version of the theory to treat the long-range dispersive interaction, incorporating an approximate treatment of the effect of the correlations on the attractive energy between the segments by introducing a short range attractive contribution in the reference term. In the second, one approximates the correlation function of the molecular segments in the inhomogeneous system with that of a homogeneous system with an average density of the two positions, following the ideas 2

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Interfacial properties of selected binary mixtures containing n-alkanes

Cited by 108 publications

References 74 publications

High-pressure densities and interfacial tensions of binary systems containing carbon dioxide+n-alkanes: (n-Dodecane, n-tridecane, n-tetradecane)

High-pressure densities and interfacial tensions of binary systems containing carbon dioxide+n-alkanes: (n-Dodecane, n-tridecane, n-tetradecane)

Interfacial tensions of the (CO 2 + N 2 + H 2 O) system at temperatures of (298 to 448) K and pressures up to 40 MPa

Classical density functional theory for the prediction of the surface tension and interfacial properties of fluids mixtures of chain molecules based on the statistical associating fluid theory for potentials of variable range

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