Yield-Conversion »

The Yield-Conversion Node is used to display Values and Charts of the experimental versus calculated yields, selectivities and conversions for the variables specified in the Yield Calculations node.
The calculated yields/selectivities/conversions will be displayed together with the experimental values, the latter obtained from the experimental data provided in the Total Moles series. The experimental yields/selectivities/conversions will have reasonable values only if the information loaded in the Total Moles series for the corresponding compounds is complete and accurate.

Select Variable

By default, in the Variable droplist you may select among the compounds/conserved pseudo-compounds whose experimental and calculated Yields/Selectivities/Conversion are to be displayed. If the Single Set action is performed, the Select Variable grid shows all the included sets in the project. To go back to the default, you must execute the Single Compound action.

In the Data Series droplist, Yield, Selectivity and Conversion options will be available, according to what was chosen in the Yield Calculations node for the selected variable.

For a PFR reactor with Recycle, you will also see the Value Type droplist, where the PFR and Overall options are available. When the PFR option is chosen, you will see information within the PFR reactor, when the Overall option is chosen, only information related to the Fresh Inlet and Overall output of the recycled PFR system is shown. You may explore the Example to learn more about these options.

The Show Parity Plots checkbox is enabled when the charts are being shown.
The Ignore Zero Measurements checkbox is enabled when the charts are being shown. When this box is checked, the points that have measurements values equal to zero are not displayed in the chart. In the case of Conversion, the 100% conversion resulting from zero value of compound measurements is also ignored.

Select Sets to View

This pane displays all the sets of the Project.
It is available by default, but is minimized and comes into view by moving the mouse to the Select Sets to View tab located near the upper right corner.

The views here are the similar to the description for the Model Data Comparison node.

Select Variables to View

This pane displays compounds and conserved pseudo-compounds for which Yields or Conversion were selected in the Yield Calculations node.
It is only available when the Single Compound action has been performed. When available, it is hidden by default and comes into view by moving the mouse to the Select Variables to View tab located near the upper right corner.
The views here are the similar to the description for the Select Sets to View of Model Data Comparison node, except that compounds and/or pseudo-compounds are the variables to be selected to display, instead of Sets.

Values

This view is stacked in tabs along with the charts, and is visible by default.
This view displays the experimental and calculated variable values at each data point, for the Selected Variable.

Please note that the information displayed is for the compound selected in the Select Variable grid and for all the sets chosen in the Select Sets to View grid, if the Single Compound action is executed.

If the Single Set action is executed, the information is displayed for the set chosen in the Select Variable grid and for all the variables chosen in Select Variables to View grid.

Charts

The chart is stacked in tabs together with the Values. As it is not shown by default, you can view it by clicking in the Charts tab located at the bottom.
This chart displays the experimental and calculated Yield/Selectivity/Conversion values at each data point, for the Selected Variable above.

As described above for the Values tab, the information displayed here depends on the choice of single set or single compound.

The information displayed depends on the selection made on the Show Parity Plots checkbox in the Select Variable view:

• When the Show Parity Plots box is not checked, the X axis shows Time for Batch reactors, CSTR Number for CSTR reactors and Volume or Catalyst Mass, according the selected Rate Basis, for PFR reactors. The Y axis shows the experimental and the calculated values for the selected variable.


• When the Show Parity Plots box is checked, the X axis indicates the Calculated value and the Y axis indicates the Experimental values for the selected variable.

Chart Options

The options available are the same as in the charts of Model Data Comparison node.

Single Compound

By default, the variables are displayed by Single Compound. That means that you can display in the Values and Charts tabbed views the selected yield/selectivity/conversion chosen in Select Variable grid, for all the sets included in Select Sets to View grid.


Single Set

This action is used to display the experimental and calculated yield/selectivities/conversion for a Set chosen in Select Variable grid, and for all the compounds/conserved pseudo-compounds included in Select Variables to View grid.

Project Explorer

Estimation

Yield Calculations

Results