Help for use copasi in fenton Reaction

83 views
Skip to first unread message

Angelo Pisciotta

unread,
Jan 10, 2024, 11:07:52 AMJan 10
to COPASI User Forum
Hi, i 'm doing for exam a simulation using copasi of degradation of MG (malachite green) by Fenton reaction. I put the data in Copasi but i don't have the right result and i don't know why. this is the data that i put  and the wrong result. thanks to everyone for the help
Screenshot 2023-09-22 193234.pngScreenshot 2024-01-10 170622.png

Frank Bergmann

unread,
Jan 10, 2024, 11:34:59 AMJan 10
to COPASI User Forum
Could you perhaps send the COPASI file as well (or a link to it), then we'll be better able to see where you went wrong. 

best
Frank

Angelo Pisciotta

unread,
Jan 10, 2024, 2:06:52 PMJan 10
to COPASI User Forum
I don't know if it send, but now i send you
FENTON DA METTERE I K.cps

Frank Bergmann

unread,
Jan 12, 2024, 3:27:12 AMJan 12
to COPASI User Forum
Hello, 

there are several issues with the reaction schemes entered in the model. When entering reactions be sure to add spaces after specifying the stoichiometry. And when writing different compounds. For example: For reaction 7 instead of writing: 

   2OrH -> H2O2

it should be: 

   2 * OrH -> H2O2 

Also in Reaction 15 instead of: 

   HO2r + H2O2 -> OrH + H2O+O2

it should be: 

   HO2r + H2O2 -> OrH + H2O + O2

Since COPASI allows numbers and symbols in names, otherwise new species will be created. 

 Without seeing the original publication it is difficult to say more about the dynamic behavior. 

best
Frank

Francesco Coretti

unread,
Jan 15, 2024, 9:38:05 AMJan 15
to COPASI User Forum
Thanks, because is the first time for me and i'm not sure how put the radical. 
I add also the concentration of MG, Fe2+ e H2O2 that i forget the first time.

Anyway this is the article

Thank you so much!
reazioni fenton.pdf
Reply all
Reply to author
Forward
0 new messages