Articles producció científica> Enginyeria Química

Rational and statistical approaches in enhancing yield of ethylene carbonate in urea transesterification with ethylene glycol over metal oxides

  • Datos identificativos

    Identificador: imarina:3665538
    Handle: http://hdl.handle.net/20.500.11797/imarina3665538
  • Autores:

    Fakhrnasova, Dina
    Chimentao, Ricardo J.
    Medina, Francisco
    Urakawa, Atsushi
  • Otros:

    Autor según el artículo: Fakhrnasova, Dina; Chimentao, Ricardo J.; Medina, Francisco; Urakawa, Atsushi;
    Departamento: Enginyeria Química
    Autor/es de la URV: CHIMENTON, RICARDO JOSE / Medina Cabello, Francisco
    Palabras clave: Urea Transesterification Reaction mechanism Multivariate curve resolution Mixed-metal oxides Kinetics Ethylene glycol Ethylene carbonate Doe Acid-base property
    Resumen: This work employs (i) a rational approach to improve the material properties of catalysts for urea transesterification with ethylene glycol (EG) to ethylene carbonate (EC) over metal oxides and (ii) a statistical approach to maximize the desired product. For the rational approach, single- and mixed-metal oxides with different elemental combinations (Zn, Mg, Al, Fe) with a variety of acid−base properties were synthesized and evaluated for the reaction. The roles of acidity and basicity in the identified reaction paths were clarified on the basis of product selectivities and kinetic parameters extracted from the concentration profiles of reactants and products in every reaction path by means of in situ IR monitoring and subsequent multivariate analysis. The paths toward EC are favorably catalyzed by acidic sites, while basic sites catalyze all paths toward undesired products. However, the surface sites are blocked when the acidity is too high and there exists an optimum value for the ratio of total acidic and basic sites to be an efficient catalyst in the targeted reaction. A mixed-metal oxide consisting of Zn and Fe at a 3:1 atomic ratio was found to be the optimum catalyst with a well-balanced acid−base property. Furthermore, a design of experiments (DoE) approach was used to statistically identify critical reaction parameters and optimize them for the best Zn- and Fe-containing catalysts. These approaches successfully gave insights into the determining material factors for the reaction and afforded excellent EC selectivity (up to 99.6%) with high yield.
    Áreas temáticas: Química Materiais Interdisciplinar General chemistry Engenharias ii Ciências agrárias i Chemistry, physical Chemistry (miscellaneous) Chemistry (all) Catalysis Astronomia / física
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    Direcció de correo del autor: francesc.medina@urv.cat
    Identificador del autor: 0000-0002-3111-1542
    Fecha de alta del registro: 2023-11-27
    Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
    Enlace a la fuente original: https://pubs.acs.org/doi/10.1021/acscatal.5b01575
    Referencia al articulo segun fuente origial: Acs Catalysis. 5 (11): 6284-6295
    Referencia de l'ítem segons les normes APA: Fakhrnasova, Dina; Chimentao, Ricardo J.; Medina, Francisco; Urakawa, Atsushi; (2015). Rational and statistical approaches in enhancing yield of ethylene carbonate in urea transesterification with ethylene glycol over metal oxides. Acs Catalysis, 5(11), 6284-6295. DOI: 10.1021/acscatal.5b01575
    URL Documento de licencia: http://repositori.urv.cat/ca/proteccio-de-dades/
    DOI del artículo: 10.1021/acscatal.5b01575
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2015
    Tipo de publicación: info:eu-repo/semantics/article
  • Palabras clave:

    Catalysis,Chemistry (Miscellaneous),Chemistry, Physical
    Urea
    Transesterification
    Reaction mechanism
    Multivariate curve resolution
    Mixed-metal oxides
    Kinetics
    Ethylene glycol
    Ethylene carbonate
    Doe
    Acid-base property
    Química
    Materiais
    Interdisciplinar
    General chemistry
    Engenharias ii
    Ciências agrárias i
    Chemistry, physical
    Chemistry (miscellaneous)
    Chemistry (all)
    Catalysis
    Astronomia / física
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