Following the Extent of a Chemical Reaction with the Help of Maple©
Baudilio Coto
Department of Chemical and Environmental Technology
ESCET, Rey Juan Carlos University
C/ Tulipan
Móstoles ( Madrid ) 28933
mail to: baudilio.coto@urjc.es

Immaculada Suárez
Department of Chemical and Environmental Technology
ESCET, Rey Juan Carlos University
Móstoles ( Madrid ) 28933

The use of Maple allows a numerical and graphical procedure to display values of thermodynamic magnitudes along the progress of a chemical reaction. Such magnitudes are related with the spontaneity of the system composition change and, when they are studied for intermediate mixtures, they allow one to understand whether reaction proceeds further and the meaning of the equilibrium composition finally reached. The advantages of using Maple are both to find the numerical solution of equations and to represent graphically functions against the extent of reaction. Details about calculation procedure, mainly those related with Maple formulation of thermodynamic equations, ate included. This document is focused on the ammonia production reaction. In the first example, the equilibrium composition is calculated and the meaning of the change in the values of G, ΔrxG and QP is analyzed through plots of these thermodynamic quantities as a function of the extent of reaction. In the second example, the effect of pressure and temperature is shown through the change in the plot of G vs. ξ ( the extent of the reaction) which can be related to the values of ξ at equilibrium under the different conditions .
Editor's Commentary
Audiences: Upper-Division Undergraduate
Pedagogies: Computer-Based Learning
Domains: Physical Chemistry
Topics: Equilibrium, Mathematics / Symbolic Mathematics, Thermodynamics
File NameDescriptionSoftware TypeSoftware Version
ExtentReaction_9.mws JCE Computational Document. Requires Maple 9 or higher Maple 9
ExtentReaction_9.pdf Read-Only Document derived from Maple 9 or higher
ExtentRx_10.mws JCE Computational Document. Maple 10. Maple 10
ExtentRx_10.pdf Read-Only document for Maple v10.
JCE JCE Subscribers only: name and password or institutional IP number access required.
Suárez, I.; Coto, B. J. Chem. Educ. 2006, 83, 1726
Comments to: Baudilio Coto at baudilio.coto@urjc.es
©Copyright 2005 Journal of Chemical Education