dc.creator | Gil González, Eva | es |
dc.creator | Rodríguez-Laguna, María del Rocío | es |
dc.creator | Sánchez Jiménez, Pedro Enrique | es |
dc.creator | Perejón Pazo, Antonio | es |
dc.creator | Pérez Maqueda, Luis Allan | es |
dc.date.accessioned | 2021-07-12T10:47:27Z | |
dc.date.available | 2021-07-12T10:47:27Z | |
dc.date.issued | 2021-06 | |
dc.identifier.citation | Gil González, E., Rodríguez-Laguna, M.d.R., Sánchez Jiménez, P.E., Perejón Pazo, A. y Pérez Maqueda, L.A. (2021). Unveiling Mechanochemistry: kinematic-kinetic approach for the prediction of mechanically induced reactions. Journal of Alloys and Compounds, 866, 158925-. | |
dc.identifier.issn | 0925-8388 | es |
dc.identifier.uri | https://hdl.handle.net/11441/115996 | |
dc.description.abstract | Mechanochemistry has attracted a lot of attention over the last few decades with a rapid growth in the number of publications due to its unique features. However, very little is known about how mechanical energy is converted into chemical energy. Most of the published works using mechanochemistry neglect the required attention to the experimental parameters and their effect over the resulting products, what makes extremely difficult to reproduce the results from lab to lab. Moreover, if it is taken into consideration the broad range of experimental conditions used in different studies, it is quite difficult to compare results and set optimum conditions. As a result, mechanochemistry is generally viewed as a “black box”. The aim of this work is to provide some insight into mechanochemistry. Thus, a simple kinematic-kinetic approach that allows the full parametrization of mechanically induced reactions is proposed. In an analogous way to thermally activated process, it is shown that kinetic modeling can serve to parametrize and model mechanically induced reactions as a function of the milling parameters with great reliability, thereby gaining prediction capability. As a way of example, this methodology has been applied for the first time to the mechanochemical reaction of Co and Sb to form CoSb3, a skutterudite-type thermoelectric material. Moreover, the universality of this methodology has also been validated with data from the literature. A key feature of the proposed kinematic-kinetic approach is that it can be extrapolated to other mechanically induced reactions, either inorganic or organic. | es |
dc.description.sponsorship | Spanish Government Agency Ministerio de Economı́a y Competitividad and FEDER CTQ2017–83602-C2–1-R | es |
dc.description.sponsorship | Junta de Andalucı́a-Consejerı́a de Economı́a, Conocimiento, Empresas y Universidad and FEDER P18-FR-1087 | es |
dc.description.sponsorship | Junta de Andalucı́a-Consejerı́a de Economı́a, Conocimiento, Empresas y Universidad and FEDER US-1262507 | es |
dc.description.sponsorship | INTRAMURAL-CSIC 201960E092 | es |
dc.format | application/pdf | es |
dc.format.extent | 27 p. | es |
dc.language.iso | eng | es |
dc.publisher | Elsevier | es |
dc.relation.ispartof | Journal of Alloys and Compounds, 866, 158925-. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Mechanical alloying | es |
dc.subject | Mechanochemical processing | es |
dc.subject | Kinetics | es |
dc.subject | Intermetallics | es |
dc.subject | Thermoelectric | es |
dc.subject | X-ray diffraction | es |
dc.title | Unveiling Mechanochemistry: kinematic-kinetic approach for the prediction of mechanically induced reactions | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/acceptedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Ingeniería Química | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Química Inorgánica | es |
dc.relation.projectID | CTQ2017–83602-C2–1-R | es |
dc.relation.projectID | P18-FR-1087 | es |
dc.relation.projectID | US-1262507 | es |
dc.relation.publisherversion | https://www.sciencedirect.com/science/article/pii/S0925838821003327#! | es |
dc.identifier.doi | 10.1016/j.jallcom.2021.158925 | es |
dc.contributor.group | Universidad de Sevilla. TEP-110 Reactividad de Sólidos | es |
idus.validador.nota | Postprint. Peer Reviewed.
Awarded as a best scientific publication of the month of June 2021 in Escuela Politécnica Superior, Universidad de Sevilla.
Mejor artículo del mes de junio de 2021 en Escuela Politécnica Superior, Universidad de Sevilla | es |
dc.journaltitle | Journal of Alloys and Compounds | es |
dc.publication.volumen | 866 | es |
dc.publication.initialPage | 158925 | es |
dc.description.awardwinning | Premio Mensual Publicación Científica Destacada de la US. Escuela Politécnica Superior | |