Parachors of liquid/vapor systems: A set of critical amplitudes

Meleán, Y.; Miqueu, Christelle

doi:10.1016/j.fluid.2005.03.025

Cited by 17 publications

(15 citation statements)

References 53 publications

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“…56 Moreover, the parameters K i in eqn (6) were not treated as parachor values, but as variables of the correlation, which were fitted to the simulation data for each mixture and temperature separately. 56 Moreover, the parameters K i in eqn (6) were not treated as parachor values, but as variables of the correlation, which were fitted to the simulation data for each mixture and temperature separately.…”

Section: Surface Tensionmentioning

confidence: 99%

“…method in the past with proposals ranging from 3.5 to 4. 56 Moreover, the parameters K i in eqn (6) were not treated as parachor values, but as variables of the correlation, which were fitted to the simulation data for each mixture and temperature separately. For the determination of the saturated bulk densities and mole fractions, the EOS by Windmann et al 6 were used.…”

Section: Surface Tensionmentioning

confidence: 99%

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Fluid phase interface properties of acetone, oxygen, nitrogen and their binary mixtures by molecular simulation

Eckelsbach

Vrabec

2015

Phys. Chem. Chem. Phys.

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Vapor-liquid equilibria (VLE) of the pure substances acetone, oxygen and nitrogen as well as their binary mixtures are studied by molecular dynamics (MD) simulation with a direct approach. Thereby, particular attention is paid to the interface behavior on the molecular level, yielding total and partial density profiles as well as surface tension data. The classical approach by van der Waals is used to analyze the total density profiles. It is found that an extended function is needed to describe those profiles for the mixtures containing acetone, due to the strong adsorption of the volatile component at the vapor side of the interface. Based on these representations the interface thickness is studied. The surface tension results are compared to experimental data, correlations thereof and results from other molecular approaches. Due to the scarcity of experiments, the parachor method is employed to obtain predictive surface tension data for the mixtures. Following the same approach, the present surface tension results are correlated for the mixtures containing acetone.

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Section: Surface Tensionmentioning

confidence: 99%

Section: Surface Tensionmentioning

confidence: 99%

Fluid phase interface properties of acetone, oxygen, nitrogen and their binary mixtures by molecular simulation

Eckelsbach

Vrabec

2015

Phys. Chem. Chem. Phys.

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“…Moreover, there are known correlations between parachor and critical parameters, parachor and Lennard-Jones potential parameters 21 and also with critical amplitudes of various thermodynamic functions. 12 Thus, parachor plays a very important role in the formation of new methods of computational analysis of the thermophysical properties of fluids. At the same time, questions about the temperature dependence of parachor and the value of the exponents in eq 1 have not been sufficiently studied.…”

Section: ■ Computational Methodsmentioning

confidence: 99%

“…These sets include thermodynamically consistent critical parameters, exponents, and amplitudes for a large number of thermophysical properties of fluids. 10,[12][13][14][15]18,19 Using the example of alkanes and their halogenated derivatives, we present the development of QSPR models designed for the calculation of critical parameters, viscosity, surface tension, refractive index and density differences on the boiling and condensation lines for a wide range of temperatures.…”

Section: ■ Introductionmentioning

confidence: 99%

A New Scaling Principles–Quantitative Structure Property Relationship Model (SP-QSPR) for Predicting the Physicochemical Properties of Substances at the Saturation Line

2014

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In recent years, there has been rapid development in new methods for calculating the physicochemical properties of substances based on scaling principles (SP) and quantitative structure–property relationships (QSPR). This paper presents an extended SP-QSPR model that can be used to predict the refractive index, surface tension, density, and viscosity of liquids on the saturation line. The temperature dependence of the molar refractivity is also considered. In this paper, we propose a new additive increment scheme for alkanes and its halogenated derivatives which can be used for calculations of orthochor, scaling values of parachor, molar refractivity, critical molar volume and the molar volume of a liquid subcooled to the absolute zero (T = 0 K). The correlation between structural-additive properties and critical molar volume is also discussed.

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“…The surface tension for any mixture may be estimated by parachor correlations, that consist in a scaling relation between the surface tension and the density difference between the coexisting liquid and vapor phases. [15] Eq. (5) expresses the surface tension (in mN.m À1 ) for a mixture:…”

Section: Surface Tension Of the Polymeric Solution: Molar Parachorsmentioning

confidence: 99%

Synthesis and Characterization of Ethyl Cellulose Microcapsules Containing Model Active Ingredients

Pitol-Filho

Kokol

Vončina

2013

Macromolecular Symposia

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Summary: Polymers have a wide range of applications, including controlled drug release. In this paper, the methodology to produce microcapsules containing limonene and vanillin as model active ingredients is reported. Polymeric solutions composed by ethyl acetate as solvent, ethyl cellulose as the polymer and an active ingredient were prepared. The microcapsules were produced by dropping the polymeric solution on a coagulation bath, composed by water, sodium dodecyl sulfate, and acetic acid in different concentrations. The variation in concentrations was set to configurate coagulation baths with a wide range of surface tensions. According to the surface tensions, and through Scanning Electron Microscopy (SEM), different structures were observed: spongeous particles, polymeric dense rings or spherical microcapsules. The microparticles obtained had an average diameter of 30 mm. Selected structures were characterized internally by using SEM and Focused Ion Beam (FIB) in a Dual Beam Microscope. The external surface of the spherical particles was mostly dense, with observed nanopores, while micropores were distributed all along the inner structure, probably containing the active ingredient. The artifacts produced during characterization by FIB, as well the thermodynamics of the microcapsules formation are also discussed.

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Parachors of liquid/vapor systems: A set of critical amplitudes

Cited by 17 publications

References 53 publications

Fluid phase interface properties of acetone, oxygen, nitrogen and their binary mixtures by molecular simulation

Fluid phase interface properties of acetone, oxygen, nitrogen and their binary mixtures by molecular simulation

A New Scaling Principles–Quantitative Structure Property Relationship Model (SP-QSPR) for Predicting the Physicochemical Properties of Substances at the Saturation Line

Synthesis and Characterization of Ethyl Cellulose Microcapsules Containing Model Active Ingredients

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