xcui

Hi, Brian, I finally got all the species involved. The diagram is beautiful. Thanks for your help. XC

Hi, Brian, Thanks for the help. Could you please give more details about how to turn off water stability limits? The only clue I can find in the manual is that this might be related to pressure setting. Should I just set the lowest pressure allowed by the software or should I revise the thermo.com.v8.r6+.dat.? It's great if bromate is not stable because the major reason for me to model bromide oxidation is to make sure no bromate would be formed. However, based on the literature, I found that Br2 can disproportionate into HBrO in water, which can then disproportionate into Br- and bromoate almost spontaneously. As for the additional anion in presence, I just found that chloride has a significant effect on electrochemical oxidation of bromide. I don't know exactly how, but the sample did smell like bleach after the electrochemical treatment. Thanks, XC

Hello, all, I tried to model the electrochemical oxidation of bromide in aqueous phase through ACT using the dataset of thermo.com.v8.r6+.dat. The results showed that Br- wasn't oxidized until the pH dropped below zero no matter what Eh value I chose. However, from my experience, I know that the bromide can be oxidized electrochemically at the pH around 6. I have attached the results file. Could anyone please help take a look to see whether there is anything wrong. Thanks, XC Act2_output.txt