Non-isothermal Activation Kinetics

• Autorzy: Arango-Restrepo A. , Rubi J. M.

Identyfikatory

DOI

10.12921/cmst.2017.0000022

• Języki publikacji: EN

Abstrakty

EN

We analyze the activation kinetics of a system immersed in a non-isothermal bath. Using mesoscopic nonequilibrium thermodynamics, we show that activation is not only driven by the affinity but also by the temperature gradient. Both thermodynamic forces play a role in the kinetics. The presence of a thermal gradient makes the detailed balance principle not fulfilled. We show that although the law of mass action holds locally, in terms of the local temperature, it is in general not valid globally, when the local values of the activation rate and the fugacity difference are replaced by their corresponding spatial averages. We analyze numerically the deviations of that global law from the actual activation kinetics as a function of the temperature gradient and the activation energy. Our analysis shows how to control the reaction rate by means of a temperature gradient.

Słowa kluczowe

EN

kinetics; non-equilibrium thermodynamics; non-isothermal process; law of mass action

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2017
• Tom: Vol. 23, No. 3
• Strony: 155--163
• Opis fizyczny: Bibliogr. 36 poz., rys.

Twórcy

autor

Arango-Restrepo A.

• Secció de Física Estadística i Interdisciplinària, Departament de Física de la Matèria Condensada, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1 08028 Barcelona, Avd. Diagonal 647, 08028 Barcelona, Spain

autor

Rubi J. M.

• Secció de Física Estadística i Interdisciplinària, Departament de Física de la Matèria Condensada, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1 08028 Barcelona, Avd. Diagonal 647, 08028 Barcelona, Spain
• Escuela de Química, Facultad de Ciencias, Universidad Nacional de Colombia Calle 59A No 63-20, Bloque 21, Núcleo El Volador, Medellín, Colombia

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Uwagi

EN

Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę (zadania 2017).