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Showing results for tags 'thermodynamic database'.
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Hello, Is it possible to generate geochemical models of photoelectrochemical reactions in an aqueous system using GWB? A typical chemical equation for one reaction is: Cl- + 4H2O + 8h+ = ClO4- + 8H+ where h+ = positively charged hole (not proton (H+)) generated upon the illumination of a semiconducting mineral I have tried to modify the thermo database (add h+ as a new species, copy and modify the electron panel) but I end up with charge or reaction imbalance when I run the model - one reason being that h+ does not have a mass. Also, apart from chloride and perchlorate, the reactions I am considering include other oxychlorine species like chlorite and chlorate. Alero Gure