Proceeds to
verify or optimize the kinetics rate constants:
verify, using the given values to compare computed
vs. experimental concentrations; or
optimize, to get the values for the best fit,
through sequential simplex minimization.
The problem is based on a particular embedded
reaction mechanism, A → B → C,
through a system of 3 ODEs, ordinary differential equations.
Equivalent Matlab and Mathematica
scripts are given.
*An uploadable file with data
identical to the above is supplied for simplicity here:
ABC.dat.
Plots the experimental and computed data
vs time.
The data are from Winkel [2011].
Acknowledgement — MSc Engineer Ricardo Nunes
(Mathematica). | 
