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how to use chemkin to draw the reaction path?

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Old   September 5, 2019, 06:27
Question how to use chemkin to draw the reaction path?
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Hi, everyone!

I don't know if I post the thread here right or not.

But I really need some help about chemkin.

I did a 3d simulation using openfoam, and got the T, p, composition at a specific point.

now I want to analyze the reaction path using chemkin.

however I searched the web and found no info about my question.

so, does anyone know how to draw the reaction path using chemkin by giving a specific composition, T, and p?

(what I thought is that I have the inp file, I have the compositon and T, so I can calculate the reaction rate at that point, then I can draw the reaction path. but I don't know how to use chemkin to implement this.)

thank you for your help!
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Old   September 6, 2019, 06:46
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Hi mate, i'm on the same problem myself. How did you manage to find the composition at specific points?
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Old   September 26, 2019, 04:33
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Hi,

do you mean to find the composition in openfoam?
if so, you can use the probes function of openfoam to monitor the composition in runtime, like this:
Code:
fieldProbe
    { 
        functionObjectLibs  ("libsampling.so"); 
        type                probes; 
        writeControl        timeStep; 
        writeInterval       100;
        enabled             true;
        
        probeLocations
        (
            ( 0      0     0.34)
            ( 0      0.013 0.34)
            ( 0     -0.013 0.34)
            ( 0.013  0     0.34)
            (-0.013  0     0.34)
            (0       0     1.77)
        );
        
        fields
        (
            T
            U
            X_CH4
            X_CO2
            X_H2
            X_H2O
            X_N2
            X_CO
            p
        );
    }
or you can use paraview to read in the openfoam results, apply the cell center filter, open the spreadsheet view and save the data,
then you can get all the information like point coordinates, temperature, composition, and so on.
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