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AKTS-Thermokinetics software

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Improves screen resolution (by taking smaller stepsizes in the integrator procedure and incorporating additional calculation points). Valuable especially for T-Modulated, T-Shock and T-Worldwide modes when displaying the reaction rates.

Normally a small stepsize control factor is preferred. However, we recommend the user avoid selecting too narrow a factor as this will result in long calculation times. Furthermore, the dependent calculation progress (from step to step) remains almost unchanged with too narrow stepsizes. To optimize calculation accuracy the following procedure is recommended:
1/ Start with stepsize control factor e.g. 1e-5, run the calculations and examine the reaction rate,
2/ If not satisfactorily, change to stepsize control factor e.g. 1e-6, run the calculations and examine the reaction rate,
3/ If not satisfactorily, change to stepsize control factor e.g. 1e-7, run the calculations and examine the reaction rate, and so on...

User can always interrupt the calculations by pressing the ESC key for examining the preliminary calculation results.

 

 

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