Transfer from Aqueous species to Redox couples in database

[maki]

Hi,

 

I hope to describe the microbial reaction catalyzing decomposition of aqueous species like below.

 

Glutamine(aq) + H₂O → NH₃(aq) + Glutamic_acid(aq)

 

If I set the above reaction in the reactant pane as a microbial kinetics, calculation of equilibrium status seems to be completed in preference to kinetic reaction, and there wasn't any changes in pH, species concentrations, and so on.

 

I am trying some calculations under the below condition, so far.

 

I transferred the information of Glutamine(aq) from Aqueous species to Redox couples in thermodynamic database.

The transfer allowed the reaction to depend on microbial kinetics by decoupling Glutamine(aq)/NH₃(aq) in trial calculations.

The result values seemed to be appropriate.

I would like to adopt this modification of thermodynamic database if the concept is correct.

 

I would be grateful if you would give me some suggestions.

 

Best regards,

 

Maki

[Brian Farrell]

Hi Maki,

 

I don't see any problem with moving Glutamine(aq) to the redox couples section of the thermodynamic dataset. It may be helpful to verify that you entered the reaction correctly by loading the modified thermo dataset into Rxn and checking the log Ks with results from the original thermo dataset.

 

Best,

 

Brian Farrell

Aqueous Solutions

[maki]

Hi Brian,

 

Thank you for your suggestion.

I'll adopt that concept.

 

Best regards,

 

Maki