Mass Conservation Implications of a Reaction Mechanism

Ronald W. Missen
Department of Chemical Engineering and Applied Chemistry, University of Toronto, Toronto, Ontario, Canada M5S 3E5
William R. Smith
Department of Mathematics and Statistics, and School of Engineering, University of Guelph, Guelph, Ontario, Canada N1G 2W1
J. Chem. Educ., 2003, 80 (7), p 833
DOI: 10.1021/ed080p833
Publication Date (Web): July 1, 2003

Abstract

A proposed reaction mechanism in chemical kinetics contains implications for mass-conservation equations (stoichiometry) governing the reacting system. The only information required to determine the number and a particular set of these equations is the stoichiometric matrix of the mechanism, N. The mechanism should first be tested to determine that it is conservative: that it is in accordance with a closed-system assumption. The general criterion is given and a simple version is provided when the formula matrix of the species, A, is also known. For a conservative system, a procedure is given to show how the interactive Java applet JSTOICH can be used to determine the number and a set of mass-conservation equations implied by N (A need not be known). Similarly, if A is known, JSTOICH can be used to determine the number of special stoichiometric restrictions, r. If r = 0, the set of independent element-conservation equations provide the required equations; if r > 0, the set of equations generated by JSTOICH must be used. Examples are given to illustrate the various procedures.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

Research: Science and Education

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Kinetics
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  • Received: August 03, 2009

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