Computing Enthalpies of Reaction©
Theresa Julia Zielinski Department of Chemistry, Medical Technology, and Physics Monmouth University West Long Branch, NJ 07764-1898 United States mail to: tzielins@monmouth.edu
Abstract
The goal of this document is to provide hands on practice for computing heats of reaction and heat of reaction as a function of temperature given a constant value for Cp.The thermodynamic data required for a large variety of reactions is provided in the file ThDATA.xls. The data file should be in the same director as the computational template. The file ThData has the following column headings, Compound Name, fH, fG, S and Cp. Units are in kJ/mol or J/Kmol. Simple instructions for using the template are also included. This document is based on the Mathematica notebook directions given in "Physical Chemistry Using Mathematica" by Joseph H. Noggle; Harper Collins College Publishers, New York, 1996, pp151-5. Data used in the calculations initially were prepared by Dr. Noggle using Tables from his Physical Chemistry textbook. TJZ transformed the RXDATA file into an Excel file for use with Mathcad and updated Mathematica workbook to Mathematica 5. The CPDATA.nb and FXCATA.nb files were also updated for use in the Mathematica notebook. CPDATA and FXDATA files must be loaded before using the processes in the Enthalpy of Reaction Mathematica notebook. Be sure to edit the Enthalpy of Reaction notebook to include the correct path to the data files.
Keywords
Audiences: Upper-Division Undergraduate Pedagogies: Computer-Based Learning Domains: Physical Chemistry Topics: Mathematics / Symbolic Mathematics, Thermodynamics
Documents
File Name Description Software Type Software Version Enthalpy of Reactions.mcd Computational Document. Mathcad 2001i or higher required Mathcad 2001i Enthalpy of Reactions11.mcd Computational Document. Mathcad 11 required Mathcad 11 Enthalpy of reaction.nb Mathematica Data File Mathematica ThDATA.xls Excel Data File FXDATA.nb Mathematica Data File Mathematica CPDATA.nb Mathematica Data File Mathematica Enthalpymcd.pdf Read-Only Document for Mathcad Enthalpy of Reaction nb.pdf Read-Only Document for Mathematica
©Copyright, Theresa Julia Zielinski, 2004. All rights reserved. You are welcome to use this document in your own classes but commercial use is not allowed without the permission of the author.