Kinetics of Chemical Reaction with an Intermediate Product

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This Demonstration shows a simulation of the time course of differential rate equations. The ordinate denotes concentration in mmol/L and the abscissa denotes time in seconds. The maximum time of reactions is , and are the association rate constants, is the dissociation rate constant, and are the initial concentrations of reactants and at time . The pie chart shows concentrations at time in percentage terms.

Contributed by: Vladimir Gantovnik and Cynthia Gibas (University of North Carolina at Charlotte, Department of Bioinformatics & Genomics) (March 2011)
Open content licensed under CC BY-NC-SA


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Details

After work by I. Chorkendorff and J. W. Niemantsverdriet, Concepts of Modern Catalysis and Kinetics, Weinheim: Wiley-VCH, 2003.

These reactions present the simplest possible reaction in heterogeneous catalysis:

,

where and are the reactants, is the intermediate product, is the final product, and are the association rate constants, and is the dissociation rate constant. The system of differential equations has the following form:

,

,

,

,

where , , , and are the concentrations of , , , and , respectively. Initial conditions at time are , , , .



Permanent Citation

Vladimir Gantovnik and Cynthia Gibas (University of North Carolina at Charlotte, Department of Bioinformatics & Genomics) "Kinetics of Chemical Reaction with an Intermediate Product"
http://demonstrations.wolfram.com/KineticsOfChemicalReactionWithAnIntermediateProduct/
Wolfram Demonstrations Project
Published: March 7 2011

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