Interfacial Tension Measurements of the (H2O + n-Decane + CO2) Ternary System at Elevated Pressures and Temperatures

Georgiadis, Apostolos; Maitland, Geoffrey C.; Trusler, J. P. Martin; Bismarck, Alexander

doi:10.1021/je200825j

Cited by 91 publications

(109 citation statements)

References 24 publications

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“…Not only are the experimental alkane-water tension data in conflict with each other as exemplified in ref. [34], but crucially the values of the interaction parameter will depend on the phase (organic or aqueous) and the thermodynamic state involved. On the other hand, toluene + water mixtures were much better represented with a slight underprediction of -1.4 mN/m on average.…”

Section: Comparison With Experimental Datamentioning

confidence: 99%

Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field

Herdes

Ervik

Mejı́a

et al. 2018

Fluid Phase Equilibria

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This work is framed within the Ninth Industrial Fluid Properties Simulation Challenge, with the aim of assessing the capability of molecular simulation methods and force fields to accurately predict the interfacial tension of oil + water mixtures at high temperatures and pressures. The challenge focused on predicting the liquid-liquid interfacial tension of binary mixtures of dodecane + water, toluene + water and a 50:50 (wt%) mixture of dodecane:toluene + water at 1.825 MPa (250 psig) and temperatures from 110 to 170 °C. In our entry for the challenge, we employed coarse-grained intermolecular models parametrized via a top-down technique in which an accurate equation of state is used to link experimentally observed macroscopic properties of fluids with the force-field parameters. The state-of-the-art version of the statistical associating fluid theory (SAFT) for potentials of variable range as reformulated in terms of the Mie potential is employed here. Interfacial tensions are calculated through a direct method, where an elongated simulation cell is sampled through molecular dynamics in the isobaric-isothermal constant area ensemble (NP zz AT). The coarse-grained nature of the force field allows for the accelerated calculation of relatively large systems. The binary interaction parameters that describe the crossinteractions have been obtained in previous works by fitting to interfacial tensions of the constituent binaries at lower pressures and temperatures; these are taken as constant for all conditions and mixtures studied. After disclosure of the challenge results, we observe that the interfacial properties of the mixtures are described with an error of less than 5 mN/m over the whole range of conditions, demonstrating the accuracy and transferability of the top-down SAFT-γ Mie force field approach.

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Section: Comparison With Experimental Datamentioning

confidence: 99%

Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field

Herdes

Ervik

Mejı́a

et al. 2018

Fluid Phase Equilibria

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“…Georgiadis et al [23,[86][87][88] and is depicted in figure 1. The apparatus consists of a customdesigned high-pressure cylinder made of hastelloy HC-276 with an internal volume of 23 cm 3 , 4 fluid ports equally distributed around the cell and closed at both ends by two sapphire windows.…”

Section: Apparatusmentioning

confidence: 99%

Study of the impact of high temperatures and pressures on the equilibrium densities and interfacial tension of the carbon dioxide/water system

Pereira

Chapoy

Burgass

et al. 2016

The Journal of Chemical Thermodynamics

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“…Porous glass was used as a model rock with well-defined surface properties and suitable pore size for μCT imaging. n-decane was used as a model for the nonwetting phase, and the n-decane-brine interfacial tension γ was varied by surfactant addition over a range of values representative for CO 2 -brine systems [31][32][33][34][35]. The focus of the study was the detailed cluster analysis and the comparison of single-phase REV with the characteristic cluster-size and saturation distribution in both drainage and imbibition.…”

Section: Introductionmentioning

confidence: 99%

Pore-scale micro-computed-tomography imaging: Nonwetting-phase cluster-size distribution during drainage and imbibition

et al. 2013

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We investigated the cluster-size distribution of the residual nonwetting phase in a sintered glass-bead porous medium at two-phase flow conditions, by means of micro-computed-tomography (μCT) imaging with pore-scale resolution. Cluster-size distribution functions and cluster volumes were obtained by image analysis for a range of injected pore volumes under both imbibition and drainage conditions; the field of view was larger than the porosity-based representative elementary volume (REV). We did not attempt to make a definition for a two-phase REV but used the nonwetting-phase cluster-size distribution as an indicator. Most of the nonwetting-phase total volume was found to be contained in clusters that were one to two orders of magnitude larger than the porosity-based REV. The largest observed clusters in fact ranged in volume from 65% to 99% of the entire nonwetting phase in the field of view. As a consequence, the largest clusters observed were statistically not represented and were found to be smaller than the estimated maximum cluster length. The results indicate that the two-phase REV is larger than the field of view attainable by μCT scanning, at a resolution which allows for the accurate determination of cluster connectivity.

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Interfacial Tension Measurements of the (H₂O + n-Decane + CO₂) Ternary System at Elevated Pressures and Temperatures

Cited by 91 publications

References 24 publications

Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field

Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field

Study of the impact of high temperatures and pressures on the equilibrium densities and interfacial tension of the carbon dioxide/water system

Pore-scale micro-computed-tomography imaging: Nonwetting-phase cluster-size distribution during drainage and imbibition

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