is it possible to determine the values ​​of the input parameters ca, cb, cc and cd for which the cc value at the output would be maximal?

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is it possible to determine the values ​​of the initial concentrations ca, cb and cd for which the cc value at the output would be maximal? The differential equations are:
dca/dt=-theta1 * ca-theta2*cA;
dcb/dt= theta1*ca+theta4*cc*theta3*cb-theta5*cd
dcc/dt= theta2*cA+theta3*cb*theta*cC*theta6*cd
dcd/dt= theta5*cb*theta6*cd
Yca=cc/ca0
or is it possible to maximize yield Yca.
Thetas are kinetic parameter and they are known.
ca and cb are concentrations of reactants, while the cc and cd are concentrations of products. cd is also present at the beggining of reaction.
Thanks in advance.
  3 个评论
Bosnian Kingdom
Bosnian Kingdom 2019-5-3
I made mistake. Yes, cA is ca, and cC is cc. And theta is theta4, so the correct equations are:
dca/dt=-theta1 * ca-theta2*cA;
dcb/dt= theta1*ca+theta4*cc*theta3*cb-theta5*cd
dcc/dt= theta2*cA+theta3*cb*theta4*cc*theta6*cd
dcd/dt= theta5*cb*theta6*cd

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回答(1 个)

Alan Weiss
Alan Weiss 2019-5-1
Yes, take a look at this example, which has a much more complicated objective function. If your objective function is only the value of Yca at the final point, well, just minimize -Yca(end) as the objective function.
Alan Weiss
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