Relationship between Liquid Activity Coefficient and Composition for Ternary System

Kojima, K.; Ochi, Kenji; Nakazawa, Yutaka

doi:10.1252/kakoronbunshu1953.32.441

Cited by 16 publications

(17 citation statements)

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“…The application was tested on a set of 270 zeotropic and azeotropic systems of homogeneous binary solutions and 30 non‐homogeneous systems. In addition to the VLE data, values of the excess properties ( v E and h E ) have been used and, also, LLE data of the system studied, extracted from the literature,…”

Section: Results Of the Testmentioning

confidence: 99%

A rigorous method to evaluate the consistency of experimental data in phase equilibria. Application to VLE and VLLE

2017

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This work forms part of a broader study that describes a methodology to validate experimental data of phase equilibria for multicomponent systems from a thermodynamic‐mathematical perspective. The goal of this article is to present and justify this method and to study its application to vapor–liquid equilibria (VLE) and vapor–liquid–liquid equilibria (VLLE), obtained under isobaric/isothermal conditions. A procedure based on the Gibbs‐Duhem equation is established which presents two independent calculation paths for its resolution: (a) an integral method and (b) a differential method. Functions are generated for both cases that establish the verification or consistency of data, δψ for the integral test and δζ for the differential approach, which are statistically evaluated by their corresponding average values [ δtrueψ¯, δtrueζ¯], and the standard deviations [ strue(δψtrue), strue(δζtrue)]. The evaluation of these parameters for application to real cases is carried out using a set of hypothetical systems (with data generated artificially), for which the values are adequately changed to determine their influence on the method. In this way, the requirements of the proposed method for the data are evaluated and their behavior in response to any disruption in the canonical variables (p,T, phase compositions). The conditions for thermodynamic consistency of data are: δtrueψ¯<2, strue(δψtrue)<0.2, δtrueζ¯<5, and s(δξ)<0.2. In systems with VLLE, in addition to the previous criteria, must occur that: δxLLE<0.05 and δTLLE<0.5 K. The new proposed method has been tested with a set of 300 experimental binary systems, biphasic and triphasic, obtained from published bibliography, and the results are compared with those of other tests commonly used for testing thermodynamic consistency. The results show that the greater rigor of the proposed method is mainly due to the simultaneous verification of various independent variables. As a result, the conditions for the new test are verified for fewer systems than using other tests mentioned in the literature (i.e., Fredenslund‐test and direct of Van Ness). Its unique application is sufficient to ensure the consistency of experimental data, without using other tests. © 2017 American Institute of Chemical Engineers AIChE J, 2017

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Section: Results Of the Testmentioning

confidence: 99%

A rigorous method to evaluate the consistency of experimental data in phase equilibria. Application to VLE and VLLE

2017

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“…Acetone and water are fully miscible at all temperatures in the liquid phase. The phase diagram at high temperatures, however, exhibits a low-boiling azeotrope [29], instead of the high-boiling azeotrope that would be expected if a strong unlike interaction were present between the two components.…”

Section: Introductionmentioning

confidence: 76%

The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-γ Mie group contribution methodology

Papaioannou

Dufal

Sadeqzadeh

et al. 2016

Fluid Phase Equilibria

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Providing accurate predictions of the thermodynamic properties of highly polar and hydrogen bonding compounds and their mixtures is challenging from a theoretical perspective. The combination of an equation of state (EoS) based on the statistical associating fluid theory (SAFT) with a group contribution (GC) methodology offers both accuracy and predictive capability for the thermodynamic properties of mixtures. In our current work, the SAFT-γ Mie equation of state is used to capture the underlying complexity of systems in which specific interactions (e.g., hydrogen bonding, dipolar interactions, chemical association) play an important role, by incorporating highly versatile association-site schemes to model mixtures in which unlike induced association interactions occur; this is done by assigning to the functional groups a number of association sites that are inactive in the pure fluid, but become active in certain mixtures. We refer to this type of association mechanism as "unlike induced" association and to the sites involved in this interaction as "unlike induced" association sites. The concept of unlike induced association sites is applied here to develop reliable SAFT-γ Mie group contribution models to describe the properties of acetone, alkyl carboxylic acids, and their mixtures with water and n-alkanes. The parameter table of available SAFT-γ Mie models is expanded to incorporate the corresponding group interaction parameters for acetone, which is treated as a molecular group, the carboxyl group COOH, and their unlike interaction group parameters with water, and the methyl CH 3 , methanediyl CH 2 , and methanetriyl CH alkyl groups. In particular, one unlike induced site is used with the acetone model to mediate hydrogen-bonding of the acetone oxygen in mixtures containing hydrogen-bond donors, and two pairs of unlike induced sites are included on the COOH group to mediate hydrogen-bond formation in mixtures of carboxylic acids and hydrogen-bond donors. The models developed allow for the successful description of the complex fluid-phase behaviour of the relevant binary and ternary mixtures, including accurate predictions of systems which have not been used to determine the model parameters.

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“…Based on Gibbs-Duhem equation, the following equation is obtained for the multicomponent solutions made of a couple of pseudo-components A and B, neglecting the heat of mixing, almost similar to the one presented by Kojima et al [8] for ternary systems giving the one composition as constant. (1) where, (2) …”

Section: Methodsmentioning

confidence: 97%

Vapor-Liquid Equilibria for Acetone-Methanol-Ethanol-1-Propanol-Water System at Atmospheric Pressure.

昌弘¹,

裕樹²

1994

Japan Journal of Thermophysical Properties

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Vapor-liquid equilibrium (VLE) data for the acetone-methanol-ethanol-1-propanol-water system were measured at atmospheric pressure , using a flow-type recirculation apparatus newly developed. In the present experiments, three mixtures of given compositions were fixed as pseudo-components; equilibrium vapor compositions for the liquid solutions made of a couple of pseudo-components were measured . The reliability of the VLE data obtained was confirmed with an area test presented in the present study .

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Relationship between Liquid Activity Coefficient and Composition for Ternary System

Cited by 16 publications

References 0 publications

A rigorous method to evaluate the consistency of experimental data in phase equilibria. Application to VLE and VLLE

A rigorous method to evaluate the consistency of experimental data in phase equilibria. Application to VLE and VLLE

The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-γ Mie group contribution methodology

Vapor-Liquid Equilibria for Acetone-Methanol-Ethanol-1-Propanol-Water System at Atmospheric Pressure.

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