Creating new thermo database at other T&P

[elmin]

Good Morning all!

 

I'm a fifth year ESS & Phys major working on a project for my Geochemistry course. I'm interested in what happens to mineral solubilities when a hydrothermal fluid experiences a range of pressure drops (anywhere from Pi = 2kB ==> 1kB or as far as 1kB ==> 10 Bars) while remaining at a temperature of 300 C.

 

I've tried to use DBCreate to create this thermo database for use with GWB, but for some reason all the log K's of reaction in the new database are identical. As the DBCreate paper was not very straightforward for someone with a very limited understanding of supcrt and previous work on tabulating thermo data in the geosciences, It was quite difficult to get DBCreate to work at all.

 

I was able to create a database with identical log K's at all the P & T by the following procedure:

1. Open dbcrt:

type in 1, 1, data0.dat, and then dpeq06.dat

2. Open supcrtgrid

type in dpeq06.dat, use my modified fCON file (with pressures initially in the one phase region), and then type in the prefix of all the files made in part 1.

3. Open dbcrt:

type in 2, 2, thermo.com.dat, outputfilename

 

But the output file is completely useless as all the Log K's are the same -__--

 

What did I do wrong? What do I need to do to create a database that will work for me? I'm quite lost.

 

Attached are the fCON and output database files that I used/created.

fCON.txt

 

newpt.zip

[awebb]

Hi elmin,

 

I had touble with DBCreate too and I contact the second author on their paper, Benjamin, he's the one that posted about DBCreate here on GWB forums. He said that a lot of people have had trouble with the windows executables published in the supplementary material. However, he was able to provide me with a newer version which works flawlessly.

[Brian Farrell]

Thanks for the update, awebb.

 

Brian Farrell

Aqueous Solutions LLC