Computing Enthalpies of Reaction©
Theresa Julia Zielinski
Department of Chemistry, Medical Technology, and Physics
Monmouth University
West Long Branch, NJ 07764-1898
United States
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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.
Audiences: Upper-Division Undergraduate
Pedagogies: Computer-Based Learning
Domains: Physical Chemistry
Topics: Mathematics / Symbolic Mathematics, Thermodynamics
File NameDescriptionSoftware TypeSoftware Version
Enthalpy of Computational Document. Mathcad 2001i or higher required Mathcad 2001i
Enthalpy of 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.