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

Cumicheo, Constanza; Cartes, Marcela; Segura, Hugo; Müller, Erich A.; Mejı́a, Andrés

doi:10.1016/j.fluid.2014.07.039

Cited by 63 publications

(67 citation statements)

References 74 publications

(101 reference statements)

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“…Reliable measurements of the liquid and vapour phase densities under the conditions of interest are not available. As a measure of the possible uncertainty of ∆ρ, we compare the density difference calculated using the PR-NRTL model with the difference between the densities of the pure components at the same temperature and pressure [21][22][23]. The maximum absolute relative difference of ∆ρ was found to be 0.9 %, and average absolute relative difference to be 0.3 %.…”

Section: Experimental Results For (H 2 O + Ar)mentioning

confidence: 99%

“…The success of the SGT is apparent from the volume of literature covering its application to a large range of fluids, utilizing a similar wide range of underlying fluid theories. The theory has seen applications to, among other areas: liquid-liquid systems [16], polymers [19], associating systems [20][21][22], polar systems [22], (alkane + CO 2 ) systems [23] and (water + gas) systems [24][25][26].…”

Section: Theoretical Backgroundmentioning

confidence: 99%

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Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory

Chow

Eriksen

Galindo

et al. 2016

Fluid Phase Equilibria

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Section: Experimental Results For (H 2 O + Ar)mentioning

confidence: 99%

Section: Theoretical Backgroundmentioning

confidence: 99%

Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory

Chow

Eriksen

Galindo

et al. 2016

Fluid Phase Equilibria

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“…We argue below that it is sufficient, for purposes of estimating the non-aqueous-phase density, to ignore the presence of H2O under the conditions investigated here. As highlighted by Cumicheo et al [39], and despite the limited mutual solubility of the aqueous and non-aqueous components studied in this work, the approximation of using pure bulk phase densities instead of the equilibrium phase densities of the mixture can affect the accuracy of the calculated IF, especially for conditions near to a barotropic transition. Therefore, we account for the presence of CO2 and/or N2 in the aqueous phase and estimate the densities from available phase-equilibrium models and partial molar volumes; non-aqueous-phase densities are determined from reference equations of state.…”

Section: Density Correctionsmentioning

confidence: 91%

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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“…However, possibly, the most interesting feature of these equations is the direct and quantitative link to the underlying potential, such that information gathered experiments can be incorporated into intermolecular potentials of interest here, is to garner experience from the molecular simulation of vapor-liquid interfaces to directly feed into this framework, in order to build a robust and transferable model capable of predicting the properties of an interfacial system from a minimal amount of commonly available experimental information, such as critical constants (see Refs. [65][66][67][81][82][83][84][85][86][87] for a complete discussion).…”

Section: -21mentioning

confidence: 99%

Interfacial tensions of industrial fluids from a molecular‐based square gradient theory

et al. 2016

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This work reports a procedure for predicting the interfacial tension of pure fluids. It is based on scaling arguments applied to the influence parameter of the van der Waals theory of inhomogeneous fluids. The molecular model stems from the application of the Square Gradient Theory to the SAFT-VR Mie equation of state. The theory is validated against computer simulation results for homonuclear pearl-necklace linear chains made up to six Mie (λ − 6) beads with repulsive exponents spanning from λ = 8 to 44 by combining the theory with a corresponding states correlation to determine the intermolecular potential parameters. We provide a predictive tool to determine interfacial tensions for a wide range of molecules including hydrocarbons, fluorocarbons, polar molecules, among others. The proposed methodology is tested against comparable existing correlations in the literature, proving to be vastly superior, exhibiting an average absolute deviation of 2.2 %.

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

Cited by 63 publications

References 74 publications

Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory

Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory

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

Interfacial tensions of industrial fluids from a molecular‐based square gradient theory

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