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Artículo

UNIFAC Evaluation of the quinary liquid-liquid phase equilibrium: Carboxylic acid - peroxy carboxylic acid - hydrogen peroxide - water - organic solvent

Brandolin, Salvador EduardoIcon ; Scilipoti, José AntonioIcon ; Andreatta, Alfonsina EsterIcon ; Magario, IvanaIcon
Fecha de publicación: 08/2022
Editorial: American Chemical Society
Revista: Journal of Chemical and Engineering Data
ISSN: 0021-9568
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:
Ingeniería de Procesos Químicos

Resumen

Carboxylic peroxy acids are organic oxidants of relevance in the cosmetic, food, and agrochemical industries, used as intermediaries in the Baeyer-Villiger reaction and the Prileschajew epoxidation. The peroxy acids synthesis (peracidation) consists of a reversible reaction between a carboxylic acid and a hydrogen peroxide molecule to give a peroxy acid and water. This reaction is usually carried out in situ in a two-liquid-phase system (liq-liq): a continuous organic phase, in which the substrates to be epoxidized are dissolved, and a disperse phase of aqueous nature, as a supply of hydrogen peroxide molecules. The nonideality and dynamic character of reactive biphasic systems entails the difficulty in the estimation of the distribution of species between both phases, which in turn determines its kinetic description. Then, a thermodynamic model that describes the phase behavior, with acceptable precision, is required. Therefore, the aim of this work was to evaluate the UNIFAC model's performance to predict the phase distribution of peroxy carboxylic acid, carboxylic acid, and hydrogen peroxide through nonreacting as well as reacting systems. The immobilized lipase from Candida antarctica B was used as the catalyst of the reaction. The systems also varied according to the type of carboxylic acids used -(lauric, octanoic, or acetic) and the type of solvent used (diisopropyl ether, toluene, hexane, or heptane). UNIFAC showed suitable estimations of some of the component solubilities, especially with toluene systems, presenting some limitations in the description of interactions of asymmetric compounds such as hydrogen peroxide and hexane.
Palabras clave: UNIFAC , BIPHASIC MEDIA , LIQUID-LIQUID EQUILIBRIA
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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/203462
DOI: https://doi.org/10.1021/acs.jced.1c00917
URL: https://pubs.acs.org/doi/10.1021/acs.jced.1c00917
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Articulos(IPQA)
Articulos deINSTITUTO DE INVESTIGACION Y DESARROLLO EN INGENIERIA DE PROCESOS Y QUIMICA APLICADA
Citación
Brandolin, Salvador Eduardo; Scilipoti, José Antonio; Andreatta, Alfonsina Ester; Magario, Ivana; UNIFAC Evaluation of the quinary liquid-liquid phase equilibrium: Carboxylic acid - peroxy carboxylic acid - hydrogen peroxide - water - organic solvent; American Chemical Society; Journal of Chemical and Engineering Data; 67; 8; 8-2022; 1994-2003
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