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[OLD] Basis swapping


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From: Ben Rees

Subject: Basis swapping

I have started using GWB and have just a simple question. I have a water chemistry that includes data for Ti, U, V, Se, Cr, B and Sb. When I try and input these various parameters I have to select a complex which I consider to be the most applicable. Is there a way I can just enter the total concentration and allow the speciation to be determined? Also, if I have to enter B as B(OH)3(aq) for instance, must I multiply my elemental B analysis in mg/l by the relevant factor?


From: Craig Bethke

Subject: Re: Basis swapping

The answers are yes and yes. React expects you to enter a total concentration and will do the speciation automatically. Occasionally, you may need to swap an appropriate species in for the default species, to help the program converge. For example, if you have a very reduced solution containing sulfide but no sulfate, consider swapping H2S(aq) for SO4-- as the basis entry for sulfur, if the program fails to converge. But convergence due to such issues is rarely a problem. And you do need to convert analyses in mass units to reflect the mole weight of the basis entry. Your example of B and B(OH)3 is a good one, since B is so light.

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