Therakin.dat question
Hello,
I would like to know what some of the numbers in therakin are.
'dolomite-2' 184.401 64.365 4 -2.0000 'h+' 1.0000 'ca+2' 1.0000 'mg+2' 2.0000 'hco3-'
'dolomite-2' 6.9420 5.7530 4.2300 2.6830 0.9330 -0.7330 -2.4510 -4.4160
'dolomite-2' 0.29764369E+03 -0.18922059E+04 -0.29879856E+00 0.10735824E+06 -0.61228951E+07
In the example above, I realize that:
MW dolomite = 64.365
4 compounds make up dolomite:
Dolomite + 2H+ -> Ca2+ + Mg2+ + 2HCO3-
I do not know what the second row is. At the top of Therakin, it is mentioned that there are " 8 temperature points: 0.0 25.0 60.0 100.0 150.0 200.0 250.0 300.0", so I assume the second line has to do with a parameter that changes with temperature.
The third line is the values for a b c d e when you calculate the log(K) of Dolomite.
*Something interesting that I saw in a simulation I ran. I changed dolomite to dolomite-2 in one of my simulations, and that was the only thing I changed, and I saw a pressure drop of approximately 100 bars in my mesh and the chemistry could not converge. I was wondering why that happened. Hence why I came to post a question about therakin to see if that would answer this drop in pressure.
Thanks,
Majid
1 reply
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Section 5.4 on TOUGHREACT manual is where the description of the first, second, and third lines are presented.