Modeling the temperature-programmed reduction of metal oxide catalysts by considering the particle-size distribution effect

Villarroel-Rocha, Jhonny; Gil Bravo, Antonio

Modeling the temperature-programmed reduction of metal oxide catalysts by considering the particle-size distribution effect

dc.contributor.author	Villarroel-Rocha, Jhonny
dc.contributor.author	Gil Bravo, Antonio
dc.contributor.department	Institute for Advanced Materials and Mathematics - INAMAT2	en
dc.contributor.funder	Universidad Pública de Navarra / Nafarroako Unibertsitate Publikoa	es
dc.date.accessioned	2024-06-03T13:44:10Z
dc.date.available	2024-06-03T13:44:10Z
dc.date.issued	2024
dc.date.updated	2024-06-03T13:31:35Z
dc.description.abstract	Hydrogen temperature-programmed reduction (H2-TPR) has become a very useful and common technique for the chemical characterization of solids as it is sensitive to the study of reducible species in catalysis and is considered to be a fingerprint for the reducibility of metal oxide catalysts. However, although modeling of H2-TPR patterns has been extensively studied, little attention has been paid to the effect of particle-size distribution (PSD). The complexity of modeling H2-TPR patterns arises from the fact that the chemistry of metal oxide reduction depends on several factors, including particle size, nature of the support material and confinement within the porous structure, amongst others. In order to identify the kinetic reaction model governing the reduction of certain metal oxides and to explore the effect of PSD, pure metal oxides that only exhibited the particle size difference effect were used to model the H2-TPR patterns. Kinetic and thermodynamic data, which are very useful for characterizing heterogeneous catalysts, were obtained from this study. This work presents a simple procedure for modeling H2-TPR patterns of various metal oxides (i.e., CuO, Ag2O, and NiO) used as active phases in several reactions of environmental and energetic interest using several solid-state reaction kinetic models and considering their PSDs. The results obtained show that modeling the H2-TPR profiles provides information regarding the PSD of metal oxide catalysts that undergo a single-step reduction and only present the particle size difference effect.	en
dc.description.sponsorship	The authors are grateful for the financial support received from the Spanish Ministry of Science and Innovation (MCIN/AEI/10.13039/ 501100011033) through project PID2020-112656RB-C21. Open access funding provided by Universidad Pública de Navarra. JVR thanks the Universidad Pública de Navarra for a post-doctoral María Zambrano grant, financed by the European Union-Next Generation EU.	en
dc.format.mimetype	application/pdf	en
dc.format.mimetype	application/msword	en
dc.identifier.citation	Villarroel-Rocha, J., Gil, A. (2024) Modeling the temperature-programmed reduction of metal oxide catalysts by considering the particle-size distribution effect. Chemical Engineering Journal, 487, 1-13. https://doi.org/10.1016/j.cej.2024.150722.	en
dc.identifier.doi	10.1016/j.cej.2024.150722
dc.identifier.issn	1385-8947
dc.identifier.uri	https://academica-e.unavarra.es/handle/2454/48245
dc.language.iso	eng	en
dc.publisher	Elsevier	en
dc.relation.ispartof	Chemical Engineering Journal 487, 2024, 150722	en
dc.relation.projectID	info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-112656RB-C21/ES/
dc.relation.publisherversion	https://doi.org/10.1016/j.cej.2024.150722
dc.rights	© 2024 The Author(s). This is an open access article under the CC BY-NC license.	en
dc.rights.accessRights	info:eu-repo/semantics/openAccess
dc.rights.uri	https://creativecommons.org/licenses/by-nc/4.0/
dc.subject	Metal oxides	en
dc.subject	Temperature-programmed reduction	en
dc.subject	Particle-size distribution	en
dc.subject	Solid-state reaction kinetic models	en
dc.title	Modeling the temperature-programmed reduction of metal oxide catalysts by considering the particle-size distribution effect	en
dc.type	info:eu-repo/semantics/article
dc.type.version	info:eu-repo/semantics/publishedVersion
dspace.entity.type	Publication
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