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Thermo Tutorials

Lesson 1 -- Calculate the thermodynamic properties

Objective:* Calculate the thermodynamic properties, H, Cp, and S of ethylene as functions of the temperature. Results are presented in the CHEMKIN format for reaction energineering simulations. Input information is taken from a quantum chemistry calculation.

Lesson 2 -- Calculate the thermodynamic properties

Objective:

Lesson 3 -- Calculate the thermodynamic properties

Objective:
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Topic attachments
I Attachment Action Size Date Who Comment
elseFChk C2H4.FChk manage 68.6 K 04 Jul 2006 - 17:50 TWikiGuest Fchk file for ethylene
elselog C2H4.log manage 135.9 K 03 Jul 2006 - 23:17 LamHuynh Linux Gaussian output file for ethylene (CH2=CH2) with the resquest of optimization and frequency calculation
elseinp C2H4.therm.inp manage 0.7 K 03 Jul 2006 - 23:23 LamHuynh Thermo input file for ethylene
elseout C2H4.therm.out manage 4.2 K 03 Jul 2006 - 23:22 LamHuynh Thermo output file for ethylene
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Topic revision: r11 - 26 Aug 2006 - 21:53:43 - TWikiGuest
 
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