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React mineral in high basic solution


Raphir
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I am currently trying to simulate the mineral(cristobalite) in high basic solution(pH>13) using React (GWB 8.0.12).

The initial system contains 0.8M of NaOH and 25 gram of Ca(OH)2© in 1 kg of water.

SpecE8 shows that the equilibrium condition has 13.629 with log(aH+)=13.628.

However, the React program shows the equilibrium condtion at t=0 has only 12.21 with log(aH+)=12.21.

The manual said that if I set the charge balance on the same entry basis, I can get the identical ouput. But, still I have a different ouput and the restult of SpecE8 looks more similar to the experirements.

How can I make the identical initial system in React? I need to simulate the kinetics of silica mineral using React.

 

Thank you

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