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2010-Brian_Winkel-Parameter estimates in differential equation models for chemical kinetics

Author(s): Brian Winkel

SIMIODE - Systemic Initiative for Modeling Investigations and Opportunities with Differential Equations

Keywords: kinetics chemical kinetics zeroth order reaction first order reaction second order reaction

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Abstract

Resource Image We discuss the need for devoting time in differential equations courses to modelling and the completion of the modelling process with efforts to estimate the parameters in the models using data.

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Winkel, B. J.  2010.  Parameter estimates in differential equation models for chemical kinetics. International Journal of Mathematical Education in Science and Technology.  42(1):  37- 51.

See https://www.tandfonline.com/doi/abs/10.1080/0020739X.2010.500806 . Accessed 28 March 2023.

Article Abstract:  We discuss the need for devoting time in differential equations courses to modelling and the completion of the modelling process with efforts to estimate the parameters in the models using data. We estimate the parameters present in several differential equation models of chemical reactions of order n, where n  = 0, 1, 2, and apply more general parameter estimation approaches to an optimization problem involving the production chemical reaction A->B->C.

The paper presents an overviews of chemical kinetics of order 0, 1, and 2 with examples and data from the chemistry textbook literature. Spreadsheet and Mathematica approaches to estimate parameters are offered.

 

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Authors

Author(s): Brian Winkel

SIMIODE - Systemic Initiative for Modeling Investigations and Opportunities with Differential Equations

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