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ABC Chemical Kinetics

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Abstract

The system formed by three chemical species “A”, “B”, and “C” related to each other by elementary reactions, reversible or not, is broadly used in chemical kinetics as a first step in the study of the so-called complex reactions. This model presents an appropriate combination of mathematical complexity and chemical applicability that transforms it into a didactic resource of great educational value at various levels of chemical kinetics, physical chemistry, or even basic general chemistry, where reaction rates and mechanisms are of interest. In this collection of worksheets, a step-by-step study of the “ABC” system is accomplished with the aid of Mathcad. Working with real mathematics notation, interactive graphs, and symbolic processing allows useful equations to be obtained, transformed and applied live, with the result of clarifying the study goals and objectives. Perturbing the parameter values and observing the effect permits visual determination of the significance of the different model parameters. The proposed exercises not only consolidate the concepts and skills but also extend the analysis by applying the models and methods to other similar systems.

Figure 1. Comparison of the concentrations of [A], [B], and [C] (mole/L) as functions of time using the exact analytic solution, and the steady state, [B]_ss, and pre-equilibrium [B]_eq concentration approximation predictions in the AB→C system where k₁=2 sec-1, k_-1=5 sec^-1, and k₂=10 sec^-1. t_ref is the twice the time required to reach [B]_max.

Downloads

Version	Download
Mathcad 11	ABC_Kinetics11.zip
Mathcad 7	ABC_Kinetics7.zip
Solutions	ABC_Kinetics_sol.zip

Version	Download
Mathcad	ABC_Kinetics.pdf
Instructor's Notes	ABC_Kin_InstructorNotes.pdf

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Commentary

Other Information

Keywords

Domain: Physical Chemistry;

Topics: Kinetics; Mathematics / Symbolic Mathematics; Mechanisms of Reactions;

JCE Citation