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From: sushil r. <ron...@gm...> - 2007-12-08 12:43:55
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---------- Forwarded message ----------
From: sushil ronghe <ron...@gm...>
Date: Dec 8, 2007 6:12 PM
Subject: Help!
To: e-c...@e-...
Dear all,
I am modeling a reaction with E-Cell where reagent (R)
is added to the system say M (infinitely).
Rate of addition of R to M is known.
The rate of conversion of R to R2 is given.
I want to calculate the concentration of R
In M whose volume is also given.
Concentration in M is calculated as
C = [Concentration of R in M] / Volume of M;
and Concentration of R in M is calculated as
- [Rate of Conversion of R to R2] + [Rate of Addition of R]
I want to simulate this equation:
d/dt [M] = - [Rate of Conversion of R to R2] + [Rate of Addition of R]
My Em file looks like this.I am not very much sure about the selection
of stepper
and process.
Constant are as fallows :
[Concentration of R in M] (initially) =0;
[Rate of Conversion of R to R2] = 7.2
[Rate of addition]= 600
> Stepper ODE45Stepper( DT_1 )
> {
> StepInterval 0.01;
> }
>
>
> System System( / ){
> StepperID DT_1;
>
> Process ExpressionFluxProcess(C0){
> Expression "M0.MolarConc/14";
> VariableReferenceList [C0:./compartment:C 1]
> [M0:./compartment:M];
> }
>
> Process ExpressionFluxProcess(M0){
> Expression "-(7.2*C0.MolarConc) +R0.Value";
> VariableReferenceList [M0:./compartment:M -1]
> [C0:./compartment:C][R0:./compartment:R];
> }
> }
> System System( /compartment ){
> StepperID DT_1;
>
> Variable Variable(Size){
> Value 1;
> Fixed 1;
> }
>
> Variable Variable(M){
> Value 0.0;
> }
>
> Variable Variable(R){
> Value 600;
> }
>
> Variable Variable(C){
> Value 0.0;
> }
> }
>
I am expecting a graph starting from 0 and reaching 600,
what i am getting is Concentration of C is dropping and also
the simulation is stopped because of infinite numbers.
Any help is really appreciated
--
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sushil ronghe
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sushil ronghe
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