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
Linear
In the linear mode, n_points are equidistantly arranged between the minimum and
maximum times, T_min and T_max.

Logarithmic
In the logarithmic mode, n_points are arranged between T_min and T_max in such a way
that each time point is a constant factor times the preceding time. Note that T_min cannot
be zero.

Manual
Any arbitrary time vector with increasing points can be defined in the manual mode.
Simulate
Clicking the Simulate button creates the concentration profiles for all species which are
written into the spreadsheet. Any additional calculation, manipulation or plotting can be
done in the normal Excel way.
Figure 30: The numerical output of the Simulation with an example graph
The concentration [A] and [B] decrease from their initial values while [C] increases
accordingly. After 50 sec the reaction is still proceeding, it is easy to re-define the time
vector and simulate a longer time span. After 200 sec, the concentration of the minor
starting material has essentially reached zero and the reaction is finished.
1.20E-01
1.00E-01
8.00E-02
A
6.00E-02
B
C
4.00E-02
2.00E-02
0.00E+00
0.000
50.000
100.000
150.000
200.000
250.000
Figure 31: The same reaction simulated for 200 sec.
Jplus Consulting Pty Ltd
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ReactLab™ KINSIM 1.0