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chemical kinetics resolution with ODE

Posted 30 janv. 2019, 15:12 UTC−5 1 Reply

Damien Kaczorowski
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Ho all I can describe a set of chemical reaction kineticswith differential equations like dCa/dt= Ka dCb/dt=Kb dCc/dt=Kc Later I will add a convection part. Is it possible to be done with the only ODE or mathematics module ? thank u Damien

1 Reply Last Post 31 janv. 2019, 03:52 UTC−5
Lasse Murtomäki
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Posted: 6 years ago 31 janv. 2019, 03:52 UTC−5

Those particular ODEs do not need numerics at all ([A]_i = [A]_i,0 + K_i*t), but perhaps you have in reality a more complicated system. If spatial ditribution of the concentrations is not calculated, I would solve the problem with Matlab's ODE solver:

dC/dt = A*C

where C =[Ca Cb Cc]' and in this case A =[Ka 0 0;0 Kb 0;0 0 Kc].

Sure you can use COMSOL. Under Transport of Diluted species node, there is Chemistry node.

Those particular ODEs do not need numerics at all ([A]_i = [A]_i,0 + K_i*t), but perhaps you have in reality a more complicated system. If spatial ditribution of the concentrations is not calculated, I would solve the problem with Matlab's ODE solver: dC/dt = A*C where C =[Ca Cb Cc]' and in this case A =[Ka 0 0;0 Kb 0;0 0 Kc]. Sure you can use COMSOL. Under Transport of Diluted species node, there is Chemistry node.

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