4.1. TOOLBAR

The kinetic parameters calculated from the experimental data then make  possible the prediction of the reaction progress for any temperature mode such as:
· isothermal
· non-isothermal
· stepwise
· modulated temperature or periodic temperature variations
· rapid temperature increase (temperature shock)
· real atmospheric temperature profiles for investigating properties of low-temperature decomposed solids under different climates (yearly temperature profiles with daily minimal and maximal fluctuations)
· adiabatic (safety analysis, storage, scale-up).

To predict the reaction progress under any new temperature profile just click on of the tabbar:



The kinetic parameters of the reaction are displayed under the tabbar:



Enabling user to add manually new inputs for the current selected temperature mode.

Temperature profiles of each curve.

Reaction progress (-).

Conversion rate d/dt (s-1).

X axis: time.

X axis: temperature.

X axis scale: linear.

X axis scale: logarithmic.

Decreasing maximal time value.

Increasing maximal time value.

Zoom in. To select part of the graphic area for zooming, hold the left mouse button and drag mouse towards DOWN/RIGHT. You will see a rectangle around your selected area. Release the left mouse button to Zoom. This operation can be repeated.

Zoom out.

Adding/Deleting the grid lines.

Deleting selected curve.

Undo any/all deleted curve(s).

Selection of a curve for individual displaying.

Undo all deleted curves.

Selection of a curve for displaying of the confidence interval of the prediction.

Undo the confidence interval of the prediction.

Changing the colors of the curves.

Saving displayed graphs. All saved graphs ready for exporting to Microsoft Word are displayed under the tabbar ‘Saved plots’:



Clicking on tabbar will present them in miniature and in real size.

Help.

Improves screen resolution (by taking smaller stepsizes in the integrator procedure and incorporating additional calculation points). This is 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 satisfactory, change to stepsize control factor e.g. 1e-6, run the calculations and examine the reaction rate,
3. If not satisfactory, change to stepsize control factor e.g. 1e-7, run the calculations and examine the reaction rate, and so on...

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