Abstract
A system of quasi-steady-state equations for a single pathway mechanism of a catalytic reaction can always be reduced to a polynomial in terms of the steady state reaction rate, a kinetic polynomial. The coefficients of this polynomial are polynomials in the parameters of the elementary reaction rates. The form of the lowest coefficient of the polynomial ensures the thermodynamic validity of this form of representation of quasi-steady-state equations. The properties of the kinetic polynomial are discussed in connection with such concepts of chemical kinetics as “molecularity”, “stoichiometric number”.
Possible applications of this form are: asymptotic analysis of steady-state kinetic models as well as analysis of steady-state multiplicity; description of the steady-state dependences of the reaction rate, determining relations between kinetic constants when solving the inverse problem.
On the basis of kinetic polynomial explicit equations for the steady-state rate in case when one of the steps is rate-limiting, and in the neighbourhood of equilibrium have been derived.
Algorithm of computation of the kinetic polynomial and its realisation on the basis of computer algebra are described.
AMS(MOS) subject classifications.
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Lazman, M.Z., Yablonskii, G.S. (1991). Kinetic Polynomial: A New Concept of Chemical Kinetics. In: Aris, R., Aronson, D.G., Swinney, H.L. (eds) Patterns and Dynamics in Reactive Media. The IMA Volumes in Mathematics and its Applications, vol 37. Springer, New York, NY. https://doi.org/10.1007/978-1-4612-3206-3_8
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DOI: https://doi.org/10.1007/978-1-4612-3206-3_8
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