flipper78 Posted September 25, 2014 Share Posted September 25, 2014 Hello all, I am using React to model the dissolution of NdPO4 (input as reactant) under atmospheric conditions (fixed fugacities, fixed pH). The pH is adjusted with HNO3, therefore the NO3- concentration. With the input shown in the attached file "Dissolution pH 5" the program runs without any problems. In the next step, I would like to model the similar process at pH 10, again in atmospheric conditions. Here, of course, the pH would be adjusted via e.g. NaOH. I tried a few things, e.g. swapping H+ <-> OH- but somehow it will not work (see attachment Dissolution pH 10). Here, I set the OH- activity to 0.01 and this gives a pH of 10, although a a pH of 12 should be expected; especially if one looks at the OH- concentrations, e.g. after step 100 (= 0.016 mol/kg). Has anyone experience how I can input correctly the fixed pH of 10 while having normal atmospheric conditions? Thanks in advance for the help. Kind regards, Flipper78 Quote Link to comment Share on other sites More sharing options...
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