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        The precision-complexity binomial to achieve the best mathematicalthermodynamic modelling on the Gibbs-function and its effect on the separation processes design

        Adriel Sosa,Juan Ortega,Luís Fernández,Beatriz Lorenzo 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.108 No.-

        A modelling methodology based on the precision-complexity binomial has been applied to a parametricmodel established for the Gibbs function, in order to achieve the best parameterization. This methodologyis integrated into a multi-objective optimization method to describe, as accurately as possible, thereal behaviour of a set of binary solutions of butyl butanoate-alkanes, for which several of their propertieshave been experimentally determined. The optimization is addressed with a genetic algorithm withelitism-control that favours the convergence, providing well distributed results along the efficientfronts. A database of, approximately 1500 values, was generated, which used to check the numerical procedure. The representation of different properties is acceptably described with the multiproperty modelconstituted by the gE-model and its successive derivatives. In relation to other models, the approach carriedout significantly improves the results because, in addition, it includes an estimation of the volumetriceffects. A practical application was carried out with the simulation of a separation process for one ofthe systems that present a complex behaviour, providing solutions for its implementation in an industrialscale.

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