orderseek - Finds chemical reaction order
by Brad Ridder
08 Feb 2010
(Updated 10 Feb 2010)
Returns the reaction order, r-squared value, rate constant, and half life.
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| File Information |
| Description |
From undergraduate chemistry, we know how to test whether a reaction is 0th, 1st, or 2nd order by plotting different transformations of the data, and inspecting which plot fits the best.
This program does the same thing. It transforms the data using different values of the order, attempting to maximize the Pearson r-squared value. Its much faster than making and inspecting a multitude of different plots.
The picture above is essentially an example.
I used the Wikipedia article for the n-th order transformation equation. (http://en.wikipedia.org/wiki/Rate_equation#Summary_for_reaction_orders_0.2C_1.2C_2_and_n) |
| Required Products |
Optimization Toolbox
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| MATLAB release |
MATLAB 7.7 (R2008b)
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| Updates |
| 10 Feb 2010 |
fixed a tiny little error in the correlation coefficient's calculation. all better now :) |
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