Solvent effects in catalysis: implementation for modelling of kinetics

Dmitry Murzin

doi:10.1039/C6CY00495D

Solvent effects in catalysis: implementation for modelling of kinetics

Dmitry Murzin

Tutkimustuotos: Lehtiartikkeli › Artikkeli › Tieteellinen › vertaisarvioitu

22 Sitaatiot (Scopus)

Abstrakti

A mathematical framework is developed for analysis of solvent dependent reaction rates in the case of complex catalytic reactions by incorporating solvent permittivity into the rate expressions. The theoretical approach was used to treat several generic reaction mechanisms and address also selectivity in various catalytic reactions. Comparison with representative data for homogeneous, heterogeneous and enzymatic catalysis shows applicability of the developed equations for describing activity and selectivity to accurately account for experimental observations.

Alkuperäiskieli	Ei tiedossa
Sivut	5700–5713
Julkaisu	Catalysis Science and Technology
Vuosikerta	6
Numero	14
DOI - pysyväislinkit	https://doi.org/10.1039/C6CY00495D
Tila	Julkaistu - 2016
OKM-julkaisutyyppi	A1 Julkaistu artikkeli, soviteltu

Keywords

engineering education

Pääsy asiakirjaan

10.1039/C6CY00495D

http://pubs.rsc.org/en/content/articlelanding/2016/cy/c6cy00495d#!divAbstract

Viittausmuodot

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abstract = "A mathematical framework is developed for analysis of solvent dependent reaction rates in the case of complex catalytic reactions by incorporating solvent permittivity into the rate expressions. The theoretical approach was used to treat several generic reaction mechanisms and address also selectivity in various catalytic reactions. Comparison with representative data for homogeneous, heterogeneous and enzymatic catalysis shows applicability of the developed equations for describing activity and selectivity to accurately account for experimental observations.",

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AB - A mathematical framework is developed for analysis of solvent dependent reaction rates in the case of complex catalytic reactions by incorporating solvent permittivity into the rate expressions. The theoretical approach was used to treat several generic reaction mechanisms and address also selectivity in various catalytic reactions. Comparison with representative data for homogeneous, heterogeneous and enzymatic catalysis shows applicability of the developed equations for describing activity and selectivity to accurately account for experimental observations.

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U2 - 10.1039/C6CY00495D

DO - 10.1039/C6CY00495D

M3 - Artikel

SN - 2044-4753

VL - 6

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JO - Catalysis Science and Technology

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