August 6, 2024 at 2:41 am
thansiyapa_gmail_com
Bbp_participant

 

B
another try i made was by importing chemkin file

1. Mechanism File (mechanism.inp)

ELEMENTS C H O N END
SPECIES thrombin fibrinogen fibrin END
REACTIONS
thrombin + fibrinogen => fibrin  3.540E0 0.0 3.160E-9
END

2. Thermodynamic Data File (therm.dat)

THERMO ALL 300.0 1000.0 5000.0
thrombin    C   3H   6O   6    G   300.00   5000.00 1000.00
1   2.34433112E+00 7.98052075E-03 -1.94781510E-05 2.01572094E-08 -7.37611761E-12
2   9.17935173E+03 6.83010238E+00 3.16826710E+00 2.48961905E-03 2.63977457E-06
3  -2.21479556E-09 6.69840188E-13 9.23082750E+03 3.48598420E+00
fibrinogen    C   3H   6O   6    G   300.00   5000.00 1000.00
1   2.34433112E+00 7.98052075E-03 -1.94781510E-05 2.01572094E-08 -7.37611761E-12
2   9.17935173E+03 6.83010238E+00 3.16826710E+00 2.48961905E-03 2.63977457E-06
3  -2.21479556E-09 6.69840188E-13 9.23082750E+03 3.48598420E+00
fibrin    C   3H   6O   6    G   300.00   5000.00 1000.00
1   2.34433112E+00 7.98052075E-03 -1.94781510E-05 2.01572094E-08 -7.37611761E-12
2   9.17935173E+03 6.83010238E+00 3.16826710E+00 2.48961905E-03 2.63977457E-06
3  -2.21479556E-09 6.69840188E-13 9.23082750E+03 3.48598420E+00
END
3. Transport Properties File (tran.dat)

thrombin D 6.47E-10
fibrinogen D 3.10E-10
fibrin D 2.47E-10


but its giving : 

Error: Please Enter CHEMKIN File Name

Error Object: #f

 

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