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[OLD] Phosphate data


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From: Michael C. Adams

Subject: Phosphate Data

Dear GWB Users, I am using React to design a pH buffer for some high-temperature experiments. The pH that I get at 75 to 275 C are quite different depending on whether I use the Thermo.dat or the V8.r6+ (LLNL) database. The reactions and their constants vary quite a bit, especially at the 200-300 C. Does anyone have opinions on which is the database to use for this model?

The input data follows:

swap H2PO4- for H+

balance on Na+

K+=0.005489 molal

Na+=0.002688 molal

H2PO4-=0.005489 molal

HPO4--=0.001344 molal

SiO2(aq)=1.0e-7 molal

react 100 moles Quartz, cuttoff = 1 kg

T initial = 20, final = 300

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