Obtaining and analyzing Chemical Kinetic Expressions II Optimization and evaluation of kinetic parameters
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Abstract
This article shows the importance of chemical kinetic analyses and the issues needed to obtain reliable kinetic parameters which are addressed to provide information on the kinetic modeling of catalysts. The article focuses on how to make the fit of kinetic coefficients and present the most common least squares algorithms to perform this fitting. Statistical criteria are also presented to decide whether the fit is appropriate or not. Finally, different cases of how the scientific literature presents data on catalytic activity are described.
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Mundo Nano. Revista Interdisciplinaria en Nanociencias y Nanotecnología por Universidad Nacional Autónoma de México se distribuye bajo una Licencia Creative Commons Atribución-NoComercial 4.0 Internacional.
Basada en una obra en http://www.mundonano.unam.mx.
References
Alonso-Ramírez, G., Cuevas-García, R., Sánchez-Minero, F., Ramírez, J., Moreno-Montiel, M., Ancheyta, J. y Carbajal-Vielman, R. 2019. Catalytic hydrocracking of a Mexican heavy oil on a MoS2/Al2O3 catalyst: I. Study of the transformation of isolated saturates fraction obtained from SARA analysis. Catalysis Today, 1-10, julio. https://doi.org/10.1016/j.cattod.2019.07.031
Cuevas-García, R. 2004. Modificación con F y Cl en catalizadores de hidrotratamiento Mo y NiMo/Al2O3. México: Universidad Nacional Autónoma de México.
Glen, S. 2017. Statics how to: Gauss-Newton method: Brief overview. Consultado: febrero 7, 2020. https://www.statisticshowto.datasciencecentral.com/gauss-newton-method/
González-Gálvez, O. D., Nava Bravo, I., Cuevas-García, R., Velásquez-Orta S. B, Harvey, A. P., Cedeño Caero, L. y Orta Ledesma, M. T. 2020. Bio-oil production by catalytic solvent liquefaction from a wild microalgae consortium. Biomass Conv. Bioref. https://doi.org/10.1007/s13399-020-00716-y
Kerst, D. W. 1946. Historical development of the Newton-Raphson method. Nature, 157(3978): 90-95. https://doi.org/10.1038/157090a0
Marquardt, D. W. 1963. An algorithm for least-squares estimation of nonlinear parameters. In J. Soc. Indust. Appl. Math, 11: 1-30. https://www.cambridge.org/corehttp://www.siam.org//product/identifier/CBO9781107415324A009/type/book_part
Mayorga, J. H. y Osear, A. 1988. El análisis de regresión: Perspectiva histórica. Revista Colombiana de Estadística, 9: 17-18.
Nava-Bravo, I., Velásquez-Orta, S. B., Cuevas-García, R., Monje-Ramírez, I., Harvey, A. y Orta Ledesma, M. T. 2019. Bio-crude oil production using catalytic hydrothermal liquefaction (HTL) from native microalgae harvested by ozone-flotation. Fuel, 241: 255-263. https://doi.org/10.1016/J.FUEL.2018.12.071
Ruskeepää, H. 2009. Mathematica navigator mathematics, statistics and graphics, 3a ed. Elsevier Inc.
Stults, Moulton y McCarthy. 1952. Chem. Eng. Prog. Symposium series, 4: 38.