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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

null
    • Majid_Trf
    • 7 mths ago
    • Reported - view

    Section 5.4 on TOUGHREACT manual is where the description of the first, second, and third lines are presented. 

Content aside

  • 7 mths agoLast active
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