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Old   May 21, 2007, 17:24
Default Chemkin: automatic generation of graphic
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Marc
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Hi everybody, I would like to get some advices concerning CHEMKIN, and more specificaly AURORA, the heterogeneous chemical module.

In AURORA, we must enter certain input files ( one containing the homogeneous reactions and their rate-constant, one containing the heterogeneous reactions, an other the thermodynamic datas and another the boundary conditions)

Aurora lies itself upon a windows with a toolbars and a open-bar with the possibility of loading the desired files.

All these files are generaly nothing more than texts.

And after the compilation, we obtain the results of the simulation, which are very intersting in their form, so that it's necessary to go through a "post-processing" step, which allows to plot certain parameters as a function of others ( for exemple the concentration of a product as a function of time).

I am currently using AURORA for TPR ( Temperature-Programmed-Reduction), where the temperature is slowly increasing.

All I want to do is to plot the evolution of the concentrations of several products as a function of the temperature, and I would like to get such plots automaticaly, i.e. without being forced to adjust the post-processing parameters for each trials. This would avoid a considerable loss of time.

I would like to create a button which would allow to get directly after a compilation the evolution of fixed species concentrations with temperaures.

For this purpose, I think it's appropriated to work with visual c++, but my knowledge of this development environnment is very limited, so that I need a piece of advices.

Do you think that I could access to the users-interface of Chemkin-Aurora with such very intuitive tools like MFC Appwizard.exe, which don't require to be accustomed with coding in C++ ?

I thank you ahead of time for your responses!

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