Investigation of the surface tension of methane and n-alkane mixtures by perturbed-chain statistical associating fluid theory combined with density-gradient theory

Fu, Dong; Jiang, Hong-juan; Wang, Baosheng; Fu, ShuiXiang

doi:10.1016/j.fluid.2009.02.006

Cited by 34 publications

(17 citation statements)

References 29 publications

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“…In principle, the Helmholtz energy density can be described from any equation of state (EoS), with the consequence that a single EoS can be used to predict both phase equilibrium and interfacial properties. Previous works demonstrated that the combination of the SGT with cubic type EoS [6][7][8][20][21][22][23][24][25][26][27] as well as molecular based EoS [9,[28][29][30][31][32][33] models is promising for correlating and/or predicting interfacial properties in some pure hydrocarbon and hydrocarbon mixtures in a wide range of temperatures, pressures and concentrations. Both the SGT and available EoS models require at some stage experimental data for pure component parameter fitting.…”

Section: Theorymentioning

confidence: 99%

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Interfacial properties of selected binary mixtures containing n-alkanes

Müller

Mejı́a

2009

Fluid Phase Equilibria

107

113

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Section: Theorymentioning

confidence: 99%

“…SGT and SAFT are well known, and only the equations that are central to this work will be recalled in this section. In spite of this, it is noteworthy that only a few papers are devoted to use SGT approach with the SAFT EoS for the hydrocarbon mixtures [9,[30][31][32][33].…”

Section: Theorymentioning

confidence: 99%

Interfacial properties of selected binary mixtures containing n-alkanes

Müller

Mejı́a

2009

Fluid Phase Equilibria

107

113

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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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“…Surface tension is a property of great interest in industrial processes including mass transfer so several methods and correlations have been developed for their prediction. In recent years, the Density Gradient Theory [17,22] combined with PC-SAFT EoS has been used [40][41][42] to obtain σ of pure compounds or mixtures. Thus the equation of state is used to describe accurately the homogeneous system and the density gradient on the surface is determined by the functional form of the EoS and the influence parameter, kii.…”

Section: Modellingmentioning

confidence: 99%

Thermophysical study of 2-acetylthiophene: Experimental and modelled results

Antón

Artigas

Embid

et al. 2017

Fluid Phase Equilibria

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Several thermophysical properties have been studied for 2-acetylthiophene: (i) vapour pressure was determined at temperatures within 336.16-445.02 K; (ii) density, speed of sound, static permittivity, refractive index, surface tension, and kinematic viscosity were measured at p = 0.1 MPa and at temperatures from 278.15 K (or 283.15 K for the refractive index) to 338.15 K; (iii) volumetric properties were also determined at temperatures in the (283.15-338.15) K range and at pressures up to 65.0 MPa. From these experimental values, different derivative properties have been calculated such as enthalpy of vaporization, isobaric expansibility, isothermal and isentropic compressibility, dipole moment, entropy and enthalpy of surface formation, and dynamic viscosity. All experimental properties were correlated and the results were explained through the intermolecular interactions. Moreover PC-SAFT EoS was used to model the thermodynamic behaviour of the compound. Finally, this EoS combined with the Density Gradient Theory allowed obtaining the influence parameter for the surface tension of 2-acetylthiophene.

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Investigation of the surface tension of methane and n-alkane mixtures by perturbed-chain statistical associating fluid theory combined with density-gradient theory

Cited by 34 publications

References 29 publications

Interfacial properties of selected binary mixtures containing n-alkanes

Interfacial properties of selected binary mixtures containing n-alkanes

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

Thermophysical study of 2-acetylthiophene: Experimental and modelled results

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