General Relations

Hála, Eduard; Pick, J.; Fried, Vojtěch; Vilím, Otakar

doi:10.1016/b978-0-08-002973-3.50008-0

Cited by 21 publications

(28 citation statements)

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“…Each mixture has an average 90% absolute relative error when calculated with the MRST and 30% with the EOMMM. Moreover, the MRST fails to represent the CMC behavior close to the coacervate domain, while a quite good representation is attained with a fourth-order Margules formulation in the EOMMM. , …”

Section: Resultsmentioning

confidence: 98%

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Equation-Oriented Mixed Micellization Modeling of a Subregular Ternary Surfactant System with Potential Medical Applications

Pereyra

Schulz

Durand

et al. 2017

Ind. Eng. Chem. Res.

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The aqueous tricomponent surfactant mixture dodecyltrimethylammonium bromide (DTAB), sodium 10-undecenoate (SUD), and sodium dodecanoate (SDD) has been studied over the complete triangular diagram. This system is highly nonideal and has a coacervate domain. The mixtures do not precipitate in any proportion. There is a wide region of the phase diagram with positive deviations of the critical micelle concentration (CMC). The thermodynamic analysis has been done with the recently developed equation-oriented mixed micellization model (EOMMM) since the widely employed multicomponent regular solution theory (MRST) failed to represent this subregular ternary surfactant system. The advantages of the EOMMM over the MRST are discussed. The biocide properties of DTAB and SUD against microorganisms, the high CMCs that ensure high concentrations of biologically active monomers, and the possibility of having a system that remains liquid in any proportion make the present system attractive for the design of bactericide and antifungal preparations for the medicine, food, and cosmetic industries.

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Section: Resultsmentioning

confidence: 98%

“…We have experimentally determined the CMC and the degree of ionization of the micelles as functions of the global mixture composition. The thermodynamic behavior of this system has been analyzed with both procedures: the MRST and the EOMMM employing a fourth-order Margules equation. , …”

Section: Introductionmentioning

confidence: 99%

Equation-Oriented Mixed Micellization Modeling of a Subregular Ternary Surfactant System with Potential Medical Applications

Pereyra

Schulz

Durand

et al. 2017

Ind. Eng. Chem. Res.

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“…Apparatus and Procedure. A Swietoslawski-type ebulliometer, which is similar to the apparatus reported by other investigators previously 19,20 and with a capacity of 40 cm 3 , is used to determine VLE of the binary mixture. Schematic of VLE measurement apparatus used in this work is illustrated in Figure 1.…”

Section: Methodsmentioning

confidence: 99%

Measurements, Correlations, and Modified UNIFAC Predictions of Isobaric Vapor–Liquid Equilibrium Data for the Binary System of Dimethyl Carbonate + Anisole at Different Pressures

2021

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In this work, isobaric vapor–liquid equilibrium (VLE) data for the binary system of dimethyl carbonate (DMC) (1) + anisole (2) at pressures of 33.33, 46.66, 59.99, 73.33, and 94.66 kPa were measured by using a Swietoslawski-type ebulliometer. The binary VLE data are correlated by the NRTL and Wilson activity coefficient models, and binary interaction parameters are determined by a using Nelder–Mead simplex optimization method. The correlated results are in good agreement with the experimental measured data, that is, liquid phase composition versus bubble point temperature for both NRTL and Wilson models. In addition to the correlated models, a group contribution-based modified universal quasi-chemical functional-group activity coefficient (UNIFAC)–Lyngby (LBY) model is used to predict the binary VLE data of the present binary system. The predicted results are in reasonably good agreement with the experimental data, indicating that the selected patterns of group interaction parameters are valid for the present system.

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“…Pure component vapor pressures were calculated from the Wagner equations . Also, the Antoine equations , were used, if Wagner parameters cannot be found in the literature.…”

Section: Data Sourcesmentioning

confidence: 99%

Practical Applications of a Pure Prediction Method for Binary VLE to the Establishment of a High-Precision UNIFAC

Kato¹,

Bluck

2016

J. Chem. Eng. Data

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The original UNIFAC Version 5 and the modified UNIFAC models were evaluated using a pure prediction method (PPM) for the binary VLE. A total of 1264 binaries were used, because prediction errors by the PPM in the x, y VLE are less than 0.01. The modified UNIFAC can accurately predict the x, y VLE of limited 39% binaries of the 1264 binary systems at 101.3 kPa. At elevated temperatures, the original UNIFAC V5 can more accurately predict the temperature effects of infinite dilution activity coefficients than the modified UNIFAC, although accurately predicted binaries from the UNIFAC V5 for x, y VLE are limited to 29% of the 1264 binaries at 101.3 kPa. To establish a high-precision UNIFAC method, 798 new groups can be added in which the groups consist of substances themselves without subdividing into functional groups.

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General Relations

Cited by 21 publications

References 0 publications

Equation-Oriented Mixed Micellization Modeling of a Subregular Ternary Surfactant System with Potential Medical Applications

Equation-Oriented Mixed Micellization Modeling of a Subregular Ternary Surfactant System with Potential Medical Applications

Measurements, Correlations, and Modified UNIFAC Predictions of Isobaric Vapor–Liquid Equilibrium Data for the Binary System of Dimethyl Carbonate + Anisole at Different Pressures

Practical Applications of a Pure Prediction Method for Binary VLE to the Establishment of a High-Precision UNIFAC

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