I have one question related to FE-O-C system diagrams, Basically I want to draw these diagrams. I have the reaction rate constant for all reactions for this FE-O-C system at the different temperatures. So I tried to calculate the CO values by this formula.
CO= 1/(k+1)
But the graph pattern is not same as used in the previous papers, So anyone can guide me about this?
Muhammad Tahir , I can calculate you thermodynamic equilibria in Fe-C-O system using FactSage software. Give me a table: T(C), mole Fe, mole O, mole C and I will give you the results, including partial pressures of CO and CO2.
Example:
Fe + 0.001 O + 0.001 C =
0.00000 mol gas_ideal
(1550.00 C, 1 atm, a=0.34015)
( 0.33021 CO FACT53
+ 9.8994E-03 CO2 FACT53
+ 4.2918E-05 Fe FACT53
+ 5.9558E-08 FeO FACT53
+ 1.1444E-09 O FACT53
+ 5.8150E-11 O2 FACT53
+ 5.8134E-14 C2O FACT53
+ 1.1862E-14 C3O2 FACT53
+ 3.4393E-16 C FACT53
+ 6.8736E-21 C2 FACT53
+ 1.6251E-22 C3 FACT53
+ 9.8185E-24 O3 FACT53
+ 3.2164E-27 Fe(CO)5 FACT53
+ 2.9444E-30 C4 FACT53
+ 3.7320E-33 C5 FACT53)
+ 1.0020 mol Fe-liq
(55.873 gram, 1.0020 mol)
(1550.00 C, 1 atm, a=1.0000)
( 0.99800 Fe FTmisc
+ 9.9800E-04 C FTmisc
+ 9.9800E-04 O FTmisc)
System component Mole fraction Mass fraction
Fe 0.99800 0.99950
O 9.9800E-04 2.8635E-04
C 9.9800E-04 2.1496E-04
+ 0.00000 mol bcc
(1550.00 C, 1 atm, a=0.99193)
( 0.99995 Fe:Va DS12
+ 4.5713E-05 O:Va DS12)
+ 0.00000 mol fcc
(1550.00 C, 1 atm, a=0.98596)
( 0.99993 Fe:Va DS12
+ 2.1125E-05 O:Va DS12
+ 4.7457E-05 C:Va DS12)
+ 0.00000 mol Monoxide
(1550.00 C, 1 atm, a=0.11041)
( 0.98481 FeO DS12
+ 1.5191E-02 Fe2O3 DS12)
+ 0.00000 mol Slag-liq#1
(1550.00 C, 1 atm, a=6.2069E-02)
( 0.97004 FeO DS12
+ 2.9965E-02 Fe2O3 DS12)
+ 0.00000 mol Slag-liq#2
(1550.00 C, 1 atm, a=6.2069E-02)
( 0.97004 FeO DS12
+ 2.9965E-02 Fe2O3 DS12)
+ 0.00000 mol Spinel
(1550.00 C, 1 atm, a=1.2384E-05)
( 0.24060 Fe3O4 DS12
+ 0.20795 Fe3O4[1-] DS12
+ 0.43695 Fe3O4[1+] DS12
+ 0.11450 Fe3O4[2-] DS12
+ 3.3154E-07 Fe1O4[5-] DS12
+ 1.8256E-07 Fe1O4[6-] DS12)
The cutoff concentration has been specified to 1.0000E-75
*****************************************************************
H G V S Cp
(J) (J) (litre) (J/K) (J/K)
*****************************************************************
7.29789E+04 -1.10009E+05 0.00000E+00 1.00369E+02 4.60430E+01
Total mass/gram = 55.873
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
You will never get thermodynamic information from kinetic data. If FACTSAGE will not get you an answer I would use a literature search for a published phase diagram.
Lloyd Chauncey Brown Sir Can I get that reference Papers or books information for Phase Diagram?
I would take Denis Shishin's offer. I have no data. I was just saying you can't get thermodynamic information from kinetic data. I didn't easily find Fe-C-O phase diagram through a google search. Thermocalc says it can calculate thermo for Fe-C-O.
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