|
Kinetics
from data: iodine Determines kinetic constants from experimental
data |
|
|
Experimental
data |
|
Kinetic data (each row:
time, concentrations).
Here,
'American' or 'European' decimal mark. • |
| Action |
|
'Ver', w/ parameters below; or
'Opt', optimize. • |
| Parameters |
|
Rate constants (initial guess). • |
| Scale factors |
|
Scale factors ("steps"). • |
| tol, max iter. |
|
Tolerance and max, iterations for
adjustment. • |
| Show values ? |
|
Shows the graph coordinates. |
Verifies the kinetics
with the given rate parameters to compare the computed vs. the experimental
concentrations or optimizes the kinetic parameters,
leading to the best fit, through sequential simplex
minimization [Burkardt, 2011]. This is based on an embedded reaction
mecanism (see iodine reaction)
(differential equations).
Plots the experimental and computed data
vs time. |
| References: |
Plate: DetermineKinetIodine |
• Google: "chemical kinetics".
• Wikipedia: Chemical kinetics.
• Burkardt, J.,
2011, ASA047 (Nelder-Mead minimization)
• Wikipedia Decimal mark
• 1608-10-15: Torricelli, Evangelista (1647-10-25). |
