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Precipitation Reaction Modeling


Balaji Rao
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Hey all,

 

This is my first time in this forum and i am tryn to get started with the GWB Release 6.0.2.

 

I was wondering as to how GWB can be used to model precipitaion of minerals in an aqueous system containing normal occuring cations and anions. The model i want to do is really basic. I am trying to evporate the water in the aqueous phase and see what minerals precipitate out at different timelines.

 

I also dont know how to substract water from the aqueous (sort of modeling evaporation) system with increasing time adn let the GWB tell me wat minerals precipirate out.

 

thanks

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Hey all,

 

This is my first time in this forum and i am tryn to get started with the GWB Release 6.0.2.

 

I was wondering as to how GWB can be used to model precipitaion of minerals in an aqueous system containing normal occuring cations and anions. The model i want to do is really basic. I am trying to evporate the water in the aqueous phase and see what minerals precipitate out at different timelines.

 

I also dont know how to substract water from the aqueous (sort of modeling evaporation) system with increasing time adn let the GWB tell me wat minerals precipirate out.

 

thanks

 

 

Hi:

 

To subtract water from an aqueous system you add H2O as a negative mass reactant in the Reactants pane of the React module. There's a great example of this in the Reaction Modeling Guide on (p. 14-15 in the v6 manual, p. 15-17 v7 manual).

 

If you paste the following code into your React module Command pane, you can evaluate this example:

 

temperature = 25

decouple ALL

H2O = 1 free kg

swap CO2(g) for H+

CO2(g) = -3.5 log fugacity

Na+ = 10760 mg/kg

Mg++ = 1290 mg/kg

Ca++ = 411 mg/kg

K+ = 399 mg/kg

Cl- = 19350 mg/kg

SO4-- = 2710 mg/kg

HCO3- = 142 mg/kg

balance on Cl-

react -996 g of H2O

flow-through

delxi = .001 linear

 

 

I hope that helps,

 

Tom Meuzelaar

RockWare, Inc.

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