Simulation mesh

In the simulation of reaction progress curves, the keyword mesh is used to indicate the value of the independent variable (i.e., time) used to construct the simulated curve. Following the keyword mesh must stand specification of the desired range using the keywords from ... to ... step. The syntax that is used to specify range of values, spaced either logarithmically or linearly is given, in described in section 2.4.

Example 1: Equally spaced time intervalsIn this example, the data files F1, F2, and F3 are simulated at the series of time values = 0, 10, 20, ..., 1000.

[progress]
   mesh linear from 0 to 1000 step 10
   file f1.txt
   concentration I = 1.0

Example 2: Delay time In this example, the data files F1, F2, and F3 are simulated at the series of actual time values = 3, 13, 23, ..., 1003. However, the keyword delay (see section 7.5) is used to output the simulated data at nominal time values = 0, 10, 20, ..., 1000.

[progress]
   mesh linear from 0 to 1000 step 10
   delay 3
   file f2.txt
   concentration I = 2.0

Example 3: Logarithmically spaced intervals In this example, the data file F3 is simulated at the series of time values = 0, 1, 2, 4, 8, 16, ..., 1024.

[progress]
   mesh logarithmic from 1 to 1024 step 2 add zero
   file f3.txt
   concentration I = 3.0

Next: Experimental error Up: Progress Curves Previous: Local vs. global analysis Index

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Petr Kuzmic | Jul 12 2005