rather complicated NonlinearFit
- To: mathgroup at smc.vnet.net
- Subject: [mg73061] rather complicated NonlinearFit
- From: fonfastik at interia.pl
- Date: Wed, 31 Jan 2007 00:56:52 -0500 (EST)
Hello,
I would like to model a chemical decomposition reaction with
adsorption of one of the reagents.
I determined an equation I would like to fit to my data (conversion of
the reagent vs temperature),
here is the formula of the equation:
1-Exp[-0.5 (A1 Exp[-E1/(8.31 x)] (1-(Sqrt[((A1 Exp[-E1/(8.31 x)])/(A2
Exp[-E2/(8.31 x)]+A3 Exp[-E3/(8.31 x)])) 0.05])/(1+Sqrt[((A1 Exp[-E1/
(8.31 x)])/(A2 Exp[-E2/(8.31 x)]+A3 Exp[-E3/(8.31 x)])) 0.05]))+A3
Exp[-E3/(8.31 x)] ((Sqrt[((A1 Exp[-E1/(8.31 x)])/(A2 Exp[-E2/(8.31 x)]
+A3 Exp[-E3/(8.31 x)])) 0.05])/(1+Sqrt[((A1 Exp[-E1/(8.31 x)])/(A2
Exp[-E2/(8.31 x)]+A3 Exp[-E3/(8.31 x)])) 0.05])))],
{x},{A1, A2, A3,E1, E2, E3}
here it is shown more clearly:
http://www.chemia.uj.edu.pl/%7Estelmach/equationfull.GIF
I am quite confident that the expression is OK, however Mathematica
returns errors about overflow
may it be that the equation is too complicated? or rather it can't
return good results due to wrong construction?
should anyone want to give it a try, here you can find a csv file with
data:
http://www.chemia.uj.edu.pl/~stelmach/fitfile.csv
Regards to all
