Surface tension as a function of temperature and composition for a broad range of mixtures

Shardt, Nadia; Wang, Yingnan; Jin, Zhehui; Elliott, Janet A.W.

doi:10.1016/j.ces.2020.116095

Cited by 27 publications

(20 citation statements)

References 92 publications

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“…2b shows the results for the solvent-10-mer binary mixture, while the lower panel gives the results for the solvent-30-mer binary mixture. The DFT results are seen to be in general qualitative agreement both with prior simulations 16 and previous thermodynamic theoretical studies, 3 with some quantitative discrepancies due to differences in microscopic models. Of particular note is the shape of the coexistence envelope for the solvent-dimer binary mixture at T = 1.0, which is the critical temperature of the solvent (see Fig.…”

Section: Bulk Phase Behaviorsupporting

confidence: 86%

“…The bulk phase behavior and the interfacial properties of polymeric molecules dissolved in small-particle solvents of variable quality play an important role in numerous practical technological applications. [1][2][3] These systems are also of fundamental interest for developing statistical mechanical theories of binary mixtures. [1][2][3][4][5] As such, polymer-solvent binary mixtures have been extensively studied theoretically 1 using a wide variety of methods, ranging from semiempirical approaches 6,7 to various mean-field theories, such as statistical associating fluid theory (SAFT), 8,9 integral equation theory, 10 self-consistent field theory, 11 and density functional theory (DFT) 12,13 As an alternative to mean-field theories, computer simulations, including both Monte Carlo and Molecular Dynamics techniques, have also been widely used to study polymer-solvent binary mixtures.…”

Section: Introductionmentioning

confidence: 99%

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Bulk phase behavior and interfacial properties of binary mixtures of Lennard-Jones chains and solvent: a density functional theory study

Егоров

2022

Soft Matter

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Section: Bulk Phase Behaviorsupporting

confidence: 86%

Section: Introductionmentioning

confidence: 99%

Bulk phase behavior and interfacial properties of binary mixtures of Lennard-Jones chains and solvent: a density functional theory study

Егоров

2022

Soft Matter

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“…This effect was further ascribed to the presence of a surface layer of composition different from the one of the bulk; in the case of water/alcohol mixtures, the surface layer is enriched in alcohol, which has a smaller surface tension than water, resulting in sublinear variations with a composition of the surface tension of the mixture. Thermodynamical models were developed in that framework, and the detailed description of this effect remains a current research subject, as well as the properties of the surface layer …”

Section: Introductionmentioning

confidence: 99%

Foaming of Binary Mixtures: Link with the Nonlinear Behavior of Surface Tension in Asymmetric Mixtures

et al. 2021

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The lifetimes of single bubbles or foams that are formed in mixtures of liquids can be several orders of magnitude larger than the ones formed in pure liquids. We recently demonstrated that this enhanced stability results from differences between bulk and interfacial concentrations in the mixture, which induce a thickness dependence of the surface tension in liquid films, and thus a stabilizing Marangoni effect. Concentration differences may be associated with nonlinear variations of surface tension with composition and we further investigate their link with foamability of binary mixtures. We show that, for asymmetric binary mixtures, that is, made of molecules of very different sizes, strong nonlinearities in surface tension can be measured, that are associated with large foam lifetimes. When the molecules that occupy the largest surface areas have the smallest surface tension, the surface tension of the mixture varies sublinearly with composition, reflecting an enrichment in this species at the interface with air, as classically reported in the literature. In contrast, when they exhibit the largest surface tension, superlinear variations of surface tension are observed, despite a similar enrichment. We discuss these variations in light of a simple thermodynamic model for ideal mixtures and we demonstrate why foam stability is enhanced for both sublinear and superlinear surface tension variations, thus, shedding new light on foamability without added surfactants.

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“…Therefore, it is necessary to use a model with reasonable extrapolation and prediction capabilities. 18 , 34 …”

Section: Introductionmentioning

confidence: 99%

“…The deviations with respect to experimental results were below 4.8%, the overall absolute average deviation being 2.4%. As is said, a summary of the results obtained with this kind of model for different kinds of fluids is available in ref ( 18 ).…”

Section: Introductionmentioning

confidence: 99%

Pressure–Surface Tension–Temperature Equation of State for n-Alkanes

Mulero

Cachadiña

Cardona

et al. 2022

Ind. Eng. Chem. Res.

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Herein, the geometric similitude concept is applied to propose a cubic equation that relates surface tension, saturation pressure, and temperature for n -alkanes. The input properties for each fluid are the molecular mass, pressure, temperature, and compressibility factor at the critical point. The model is applied to temperatures below 0.93· T c (critical point temperature). A total of 2429 surface tension values have been selected for 32 n -alkanes. The parameters of the model have been obtained with a fit of the surface tension values for 19 pure n -alkanes that are randomly chosen. Then, it is tested for the other 13 pure n -alkanes and used to predict the surface tension for 11 binary and 4 ternary mixtures. These predictions are compared with the reported experimental data. For pure n -alkanes, the overall absolute average deviation is 2.4%, including the correlation and testing sets. No additional adjustable coefficients are used for mixtures, yielding an overall absolute average deviation of 2.98% for the binary systems and 7.97% for the ternary ones. The results show that the model is accurate enough for predictions and that the highest deviations are due to the lack of agreement in the values of surface tension of pure fluids obtained from different sources.

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Surface tension as a function of temperature and composition for a broad range of mixtures

Cited by 27 publications

References 92 publications

Bulk phase behavior and interfacial properties of binary mixtures of Lennard-Jones chains and solvent: a density functional theory study

Bulk phase behavior and interfacial properties of binary mixtures of Lennard-Jones chains and solvent: a density functional theory study

Foaming of Binary Mixtures: Link with the Nonlinear Behavior of Surface Tension in Asymmetric Mixtures

Pressure–Surface Tension–Temperature Equation of State for n-Alkanes

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