A1--a7 values of CP in solids

MFiX
#1

hi，I want to add solid matter – cacO3 and cao. May I ask what are the values a1 to a7 of CP in the figure? Where can I find these data？thank you.

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#2

The A1-A7 values are the polynomial coefficients for Cp(T). This particular polynomial fit is known as the BURCAT database (Burcat's Thermodynamic Data), and is similar to the NASA7 polynomials.

Looks like there is a fit for CaO at the BURCAT website:

CaO(cr)           tpis96CA 1.O  1.   0.   0.S   200.000   500.000  200.        1
 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00    2
 0.00000000E+00 0.00000000E+00 3.33404283E+00-1.29597249E-02 1.36895215E-04    3
-3.17712749E-07 2.32694577E-10-7.74723210E+04-1.42871304E+01-7.63628885E+04    4
CaO(S)            B 6/16CA 1.O  1.   0.   0.G   500.000  3172.000 1000.        1
 5.25453907E+00 1.87171472E-03-8.93308778E-07 2.55257836E-10-2.70283913E-14    2
 7.46695930E+04-2.60700947E+01 8.75788935E-01 2.40531859E-02-4.34160903E-05    3
 3.66152293E-08-1.16669394E-11 7.53698574E+04-5.95285355E+00 7.63833347E+04    4
CaO(L)            tpis96CA 1.O  1.   0.   0.L  3172.000  6000.000 3172.        1
 1.01028203E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00    2
-7.99190754E+04-5.90885813E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00    3
 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-7.63628885E+04    4
CaO(G)            tpis96CA 1.O  1.   0.   0.G   200.000  6000.000 1000.        1
 6.40034067E+00-5.23160168E-03 4.27195900E-06-1.03694415E-09 7.83461463E-14    2
 2.62050430E+03-9.23342220E+00 2.87357892E+00 4.90252142E-03-5.56692575E-06    3
 2.41809977E-09-1.45174378E-13 3.54077587E+03 8.81810298E+00 4.57096185E+03    4
CaO+              tpis96CA 1.O  1.E -1.   0.G   298.150  6000.000 1000.        1
 4.69390470E+00-1.63064383E-04 9.72973270E-08-1.20621608E-11 2.89728127E-17    2
 8.39560137E+04 1.21801204E+00 2.18759533E+00 1.13597928E-02-2.05124883E-05    3
 1.67333088E-08-5.15210412E-12 8.44149069E+04 1.30192624E+01 8.54214550E+04    4

I don’t see anything for CaCO3, so you will have to find one, or fit some data.

#3

This is explained in detail in the MFIX manual, please see here 8.3.16. Thermochemical Properties — MFiX 21.4 documentation

#4

As Justin points out, the version of the Burcat database file “BURCAT.THR” at the link above is slightly newer than the version we’ve been bundling with MFiX and contains some additional and updated species data.

We will be updating the bundled BURCAT.THR in the upcoming 21.4 release and this will increase the number of available species, in particular CaO. (You’ll still have to provide data for CaCO3)

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#5

I spoke too soon, CaCO3 is in the updated Burcat:

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This will be included in the upcoming 22.1 release. If you want, you can update the database now.
Download this file and unzip it. The uncompressed file will be called burcat.pickle. Replace the file in

anaconda3/envs/mfix-21.4/lib/python3.8/site-packages/mfixgui/widgets/burcat.pickle

with this file and restart MFiX… you should now see the updated species database including CaO and CaCO3.

– Charles

burcat.zip (806.8 KB)

#6

oh nice, I didn’t see CaCO3 in there.

#7

Ok, thank you for your patient reply.

#8

Thank you for your reply