Multiproperty Correlation of Experimental Data of the Binaries Propyl Ethanoate + Alkanes (Pentane to Decane). New Experimental Information for Vapor–Liquid Equilibrium and Mixing Properties

Fernández, Luís; Ortega, Juan; Pérez, E.; Toledo, F. J.; Canosa, J.

doi:10.1021/je3011979

Cited by 21 publications

(16 citation statements)

References 38 publications

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“…The method proposed here to test the thermodynamic consistency of phase equilibria is the result of an in‐depth (theoretical and experimental) research conducted by the authors in other studies over the past thirty years. This first part presents the application of the method to different cases of phase equilibria.…”

Section: Discussionmentioning

confidence: 99%

“…To perform a consistency analysis with the model proposed here requires using a mathematical model that obeys the Gibbs‐Duhem equation and that suitably represents the experimental behavior of the study system. For several years, we have been using our own model, with excellent results, for the simultaneous correlation of different thermodynamic properties of binary systems. When applying the method, this model is used for both data correlation and consistency analysis.…”

Section: Multifunctional Model Used In the Correlation Of Equilibriummentioning

confidence: 99%

“…Owing to the length of the proposed method, we give now an outline of it: The first part shows the equations used in the proposed test, arising from Eq. , and its application to, in reference to liquid phase, homogeneous (isothermal and isobaric) and non‐homogeneous systems. The second part of the paper presents our own mathematical model used as a data correlation tool. It is important that the model used to evaluate data consistency be the same as that used in the correlation; the results of most tests vary depending on the equation chosen. A third section analyses the feasibility of the test, applied first to a set of synthetic/artificial systems and then to a database of 300 systems (270 homogeneous and 30 non‐homogeneous) reported in literature.…”

Section: Introductionmentioning

confidence: 99%

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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: Discussionmentioning

confidence: 99%

Section: Multifunctional Model Used In the Correlation Of Equilibriummentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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

2017

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“…This model has been used to represent the behavior of many binary and ternary systems and has provided excellent results when used in combined correlation procedures of all the properties. This combined modeling method, adapted to suit to each case, was applied to binaries composed of esters and alkanes [10][11][12][13][14][15][16][17][39][40][41][42][43][44][45][46][47][48][49][50][51][52][53][54][55][56]. The two following models: NRTL [57] and the Eq.…”

mentioning

confidence: 99%

“…However, Eq. (17) is better at predicting the remaining properties and, therefore, guarantees a better global capacity of representation (see details in [39,41]).…”

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Azeotropy: A Limiting Factor in Separation Operations in Chemical Engineering - Analysis, Experimental Techniques, Modeling and Simulation on Binary Solutions of Ester-Alkane

Rios¹,

Sosa²,

Fernández³

et al. 2018

Laboratory Unit Operations and Experimental Methods in Chemical Engineering

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The presence of azeotropic points in the vapor-liquid equilibria of some solutions is a limiting factor in separation operations by distillation. Knowledge of azeotropy is based on understanding its origins and behavior in relation to the different variables that modulate phase equilibria, and can be used to control the appearance of these singular points. This work studies the phenomenon of azeotropy and presents a practical view based on the study of ester-alkane binary solutions. After considering the principles of vapor-liquid thermodynamics and the special cases of azeotropic points, a detailed description is given of the experimental techniques used to determine these points and also for their thermodynamic verification. Two different but complementary modeling approaches are proposed: the correlation of experimental data and the prediction of azeotropic variables. The first is required to achieve a rigorous design of apparatus and installations, while the second is useful in preliminary design stages. Finally, alternatives to the separation process are studied by simulation. For a practical perspective on these aspects, each section is accompanied by data for ester-alkane solutions, and references are made to applications in the chemical, food and pharmaceutical industries.

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Refractive index of propyl acetate

Wohlfarth¹

2017

Optical Constants

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Multiproperty Correlation of Experimental Data of the Binaries Propyl Ethanoate + Alkanes (Pentane to Decane). New Experimental Information for Vapor–Liquid Equilibrium and Mixing Properties

Cited by 21 publications

References 38 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

Azeotropy: A Limiting Factor in Separation Operations in Chemical Engineering - Analysis, Experimental Techniques, Modeling and Simulation on Binary Solutions of Ester-Alkane

Refractive index of propyl acetate

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