Interpretation von Dampfdruckdiagrammen binärer flüssiger Mischungen mit Hilfe von Gleichgewichtsmodellen

Becker, Friedrich; Kiefer, M.; Rhensius, Peter; Schäfer, Hans-Dieter

doi:10.1524/zpch.1974.92.4-6.169

Cited by 23 publications

(9 citation statements)

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“…The GE curves are symmetrical or slightly asymmetrical, with their minima at 0.4 < x, < 0.5. Our GE values agree well with the results of Marsh and Ott (8) for dibutyl ether and differ by less than 40 J mol"1 from the results of Becker et al (6) for diethyl ether and of Williamson (7) for dipropyl ether.…”

Section: Resultssupporting

confidence: 91%

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Isothermal vapor-liquid equilibria of tetrachloromethane + linear ether or acetal mixtures at 298.15 K

Lepori¹,

Matteoli²,

Tiné³

1990

J. Chem. Eng. Data

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Vapor-liquid equilibria for tetrachloromethane + a linear mono-, di-, or triether (diethyl ether, dipropyl ether, dibutyl ether, methyl butyl ether, ethyl butyl ether, 1,2-dimethoxyethane, 1,2-diethoxyethane, di(ethylene glycol) dimethyl ether) or an acetal (dimethoxymethane, diethoxymethane) were determined at 298.15 K by head-space gas chromatographic analysis of the vapor phase directly withdrawn from an equilibration apparatus. Excess molar Gibbs energies GE for the investigated mixtures were determined by a least-squares treatment of the equilibrium data. The GE values are generally negative and, though small, reflect effects due to (i) chain lengthening, (ii) position of the oxygen atom in the chain structure of monoethers, and (iii) distance of two -O-groups in diethers or acetals

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Section: Resultssupporting

confidence: 91%

“…The excess Gibbs energies, GE, were calculated from the x-y data by a modified Barker method (4, 5). Ge values are reported in the literature for TCM + diethyl ether (6), dipropyl ether (7), and dibutyl ether (8) only.…”

Section: Introductionmentioning

confidence: 99%

Isothermal vapor-liquid equilibria of tetrachloromethane + linear ether or acetal mixtures at 298.15 K

Lepori¹,

Matteoli²,

Tiné³

1990

J. Chem. Eng. Data

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“…The models which we have used to interpret the relationship between the miscibility of liquids and the intermolecular interactions are based on exchange equilibria between pairs of nearest neighbours of molecules [6,7]. Mixing of the pure-components A and B is understood as the stepwise replacement of like by unlike nearest neighbours which, in the most simple case, may be written as…”

Section: Model Theorymentioning

confidence: 99%

“…Recently, transport properties (conductivity [S] and dielectric constant [6]) of a well-characterized linear polyelectrolyte (carboxymethylcellulose in simple 1 : 1 and 2: 1 valent electrolyte solutions) have been reported, and the results discussed on the basis of currently available dielectric theories.…”

Section: Introductionmentioning

confidence: 99%

The Influence of Dissolved Electrolytes on the Miscibility of Binary Liquid Systems with Closed Miscibility Gaps

Erol

Koçak

Richter

et al. 1987

Ber Bunsenges Phys Chem

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Electrolytes J Liquids J Solutions J ThermodynamicsThe dependence of the upper and lower critical solution temperatures T, of the systems (1) oxolane + water, and (2) 2-butoxyethanol + water on the mole fraction xEl of dissolved 1-1,2-1, and 3-1 electrolytes has been investigated. The material stability of the homogeneous state of both systems is extremely sensitive to small electrolyte concentrations so that the observed shift of T, may be interpreted as the result of a perturbation of the mutual solvation of both non-electrolytes by ion solvation. Cations destabilize homogeneity in the order Me+ < Me2+ Br-> I-> NO, > C 1 0~ is established, determines whether the closed miscibility gap expands, shrinks, or is shifted to higher temperatures with increasing xEl. The importance of the anions is evident from a comparison of MgClz and Mg(CIO,),, for which the lower critical solution temperatures of oxolane + water at xEl = 0.003 differ by about 70 K.

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“…(a) tetrahydrofuran + chloroform, (b) methyl acetate + chloroform, and (c) diethyl ether + chloroform. Symbols represent experimental data, − and solid curves represent Polar PC-SAFT-AC with fitted solvation parameters.…”

Section: Resultsmentioning

confidence: 99%

Activity Coefficients from an Equation of State: Novel Approach for Fast Phase Equilibrium Calculations

Chapman

Fouad

2021

Ind. Eng. Chem. Res.

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Deviation from ideal solution behavior is due to differences in intermolecular interactions, e.g., molecular size, shape, dispersion, multipolar, and hydrogen bonding interactions. Activity coefficients characterize deviations from ideal solution behavior; however, most activity coefficient models lack the physics to explicitly account for intermolecular forces such as hydrogen bonding and multipolar interactions. At the same time, molecular theories (in the form of equations of state) that explicitly account for hydrogen bonding and multipolar interactions have been developed and validated versus molecular simulation results and experiment. In this work, we present a novel approach to calculate activity coefficients using theoretically based equations of state that explicitly describe these molecular interactions. The suggested approach enables phase equilibrium calculations to be performed at a significantly faster rate in comparison to conventional fugacity coefficient approaches. This is attributed to the fact that the molar volume is treated as an input in the approach; hence, iterations over the volume at a given pressure are not required. The polar and perturbed chain form of the statistical associating fluid theory (Polar PC-SAFT) is used in this paper to develop an activity coefficient model (SAFT-AC) for mixtures where self-association, solvation, and dipolar interactions dominate. Excellent agreement with experimental data was observed for all systems. The latter validates the use of the suggested approach as a powerful means for rapid phase equilibrium calculations in process simulators and PVT modeling software, providing consistency between activity coefficient and fugacity coefficient approaches. Extensions should lead to smart simulation methods where the simulation decides when to switch between activity coefficient and fugacity coefficient approaches depending on system conditions.

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Interpretation von Dampfdruckdiagrammen binärer flüssiger Mischungen mit Hilfe von Gleichgewichtsmodellen

Cited by 23 publications

References 0 publications

Isothermal vapor-liquid equilibria of tetrachloromethane + linear ether or acetal mixtures at 298.15 K

Isothermal vapor-liquid equilibria of tetrachloromethane + linear ether or acetal mixtures at 298.15 K

The Influence of Dissolved Electrolytes on the Miscibility of Binary Liquid Systems with Closed Miscibility Gaps

Activity Coefficients from an Equation of State: Novel Approach for Fast Phase Equilibrium Calculations

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