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Topic: Add hydrogen peroxide (Read 2323 times)
matzanaroc
Contributor
Posts: 1
Add hydrogen peroxide
«
on:
16/07/22 08:16 »
How can I add hydrogen peroxide (aqueous H2O2) to an electrolyte solution?
For example in this code:
SOLUTION 1
temp 25.0
pH 0.70 charge
units mol/kgw
density 1.0 calculated
Cu 0.065
Fe 0.0004566
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dlparkhurst
Global Moderator
Posts: 4067
Re: Add hydrogen peroxide
«
Reply #1 on:
16/07/22 15:46 »
If you just want the oxidative effect of adding hydrogen peroxide, you can use REACTION:
Code:
[Select]
REACTION 1
H2O2 1
0.1 mmol
You can try to add SOLUTION_MASTER_SPECIES and SOLUTION_SPECIES for H2O2 if you find some thermodynamic data, but I am pretty sure that, in all cases, H2O2(aq) will not exist in appreciable amounts at equilibrium. H2O2 will decompose to H2O and O2 under normal equilibrium conditions.
If you want to kinetically react H2O2, you will need to define a new "element" (like Hperoxide) that you can react with KINETICS (-formula Hperoxide -1 H2O2 +1).
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Add hydrogen peroxide