ck2cti --> Unable to convert mechanism (attaching mechanism .inp and .dat files)

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Carlo Caligiuri

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Dec 16, 2020, 11:38:25 AM12/16/20
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Hi all,

I would like to convert the attached files (ref. https://pubs.acs.org/doi/10.1021/acs.energyfuels.8b01056 ) in .cti format, but I am facing some issues. 


I am using anaconda. I've tried like this:

ck2cti.convertMech('chem.inp',
                   thermoFile='therm.dat',
                   transportFile='tran.dat',
                   outName='mech.cti')

But I am getting the following error:

InputParseError: Reaction equation implies pressure dependence but no alternate rate parameters (i.e. HIGH or LOW) were given for reaction CH2-3 (+ M) <=> C + H2 (+ M)

How should I fix this error? Any suggestions :) ?

Thanks!
Carlo
chem.inp
therm.dat
tran.dat

tullio viola

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Dec 17, 2020, 4:51:39 AM12/17/20
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Hi Carlo,

I'll try.

Best regards 


Tullio Viola

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tullio viola

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Dec 17, 2020, 11:13:43 AM12/17/20
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Dear Carlo,

there are so many errors, so I suggest you to contact the developers of the mechanism to ask the right files.

Tullio Viola
Chem.Eng from Federico II of Naples

Valentin S.

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Feb 12, 2021, 11:28:09 AM2/12/21
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Hi Carlo,
 have you already been able to convert it or got a corrected version from the authors? Could you share it?

I cant convert it , as well.

Best regards,
Valentin
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