Comments for Downloading the full package and trial programs
The first of the MathCad programms 'ch2ch2.mcd', can be run directly from
this Webpage with MathCad 6.0 (or later) if you have properly installed a reference
to Mathcad in your browser. Consult your browser help.- Then you can just click here
Mathcad to open and execute 'ch2ch2.mcd' on the spot. The thermodynamic
functions of the Ethene molecule are calculated for the ideal gas (in the harmonic oscillator/rigid rotator approximation) and a
range of temperatures in a transparent way and with all necessary comments.
Afterwards you may want to run 'ch3ch3gl.mcd' which calculates the equilibrium
CH2CH2 + H2 Û
CH3CH3 (you first need to download 'ch3ch3.zip' as
well. This contains, among the files mentioned below, experimental equilibrium
constants to compare your results with).
ch2ch2.mcd for downloading
This MathCad 6.0 file is identical to that which you have downloaded, in case you have clicked 'here' above. If you have not done that, then, by all means, download it now and jot down, where you or your computer placed the file. If your browser "knows" about your installed MathCad executable (use help in the browser's menu) you can click on "open" instead of "save" and run the program directly. Save it afterwards for the next steps.
It serves to calculate the molecular thermodynamic functions, Enthalpy, Gibbs free energy and Entropy as a function of temperature for CH2CH2. This file is identical to the more complete program 'Norotbar.mcd', but preprogrammed with the molecular constants of Ethene. Those can be changed with your own input for any other molecule, that does not have a thermally accessible rotation barrier.