I promised to study the impact that the pentene isomerization reaction would have on the parameter estimation. That reaction is nearly energy neutral so as expected, the analytical method can't estimate the rate constant for that reaction. However, good estimates for the other reaction parameters can be obtained when the isomerization reaction is present.
There are three possible scenarios for the rate of the equilibrium reaction:
Perform the estimation by assuming a high value for the isomerization rate contant, k. A simulation with the isomerization reaction might be useful to determine what
value of k produces a near equilibrium approach in a short time, say 1 min. If assumption of near equibrium fails to produce a reasonable model, then assume zero for k. If that fails, then assume an intermediate value.
I think the main problem with this system is not the parallel isomerization reaction: it is the low heat of reaction for that reaction.
The next blog will summarize the features of this kinetic analysis method and then I will move on to other topics.