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Xenozite / Thermokinetics-Toolset

A set of half automated MATLAB scripts for performing analysis of thermal data (TGA, DSC) and obtaining a kinetic triplet for every reaction stage
MIT License
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Advanced Vyazovkin Ea Buffer #2

Open TownySmash opened 7 months ago

TownySmash commented 7 months ago

Hi,

I think the advanced vyazovkin Ea Buffer is set incorrectly as in the advanced it is set to:

EaBuffer = 1000:1000:200000

which causes an error in a later step as the EA buffer is a different size to the temperature

In the Vyazovkin file the Ea buffer is set to

EaBuffer = 100:100:2000000

This works and if you change the Advanced Vyazovkin to this it then runs.

Thank you for this tool box it is phenomenal, I spent some time trying to build this type of thing myself and this is truly fantastic.

Xenozite commented 5 months ago

Hi, TownySmash. Thanks for your comment. I increased this range relative to the Vyazovkin method because with a smaller step, the calculation takes quite a long time due to direct integration. So on my data script worked fine with the range of 1000:1000:200000 except for the warnings that polynominal is badly conditioned. Its much faster than 100:100:200000. Anyway feel free to use and change this toolset for your purposes.