Regarding Se(c) solubility calculation in the groundwater using React module

[Polly Tsai]

Dear Brian,

Thanks for your previous response. Based on your instruction, I repeated to run the UO2 solubility calculation by addiding uraninite to the Basis pane. The result was almost the same as that of technical report (a little bit difference of GW conditions between two sites), please refer to the attached script file (UO2 solubility_32C.rea). However, when I performed Se solubility calculation using the above same method (1.0 fee mol/l) or even I input the other arbitrary values (0.001, 0.01, 0.01...) for Se , the result showed "Newton-Raphson did not converge after 999 iterations,....". What is wrong in this case?

Thanks for your further response.

 

Polly

 

Se solubility_32C.rea

UO2 solubility_32C.rea

[Brian Farrell]

Hi Polly,

I’m glad to hear that your uraninite solubility calculation worked out well. 

You might try charge balancing on a different ion, or disabling charge balancing entirely, since this is a simple solubility diagram calculation. 

Regards,

Brian Farrell
Aqueous Solutions