Bounds

Bounds
The Bounds node is used to set the lower and upper bounds for the compounds total moles and also for the manipulated (floated) flow, when the pressure is defined as Controlled, Constant or Interpolated from Data in the Reactor node. The compound bounds entered in this node are enforced only when Use Composition Bounds = Yes is selected in Solution Options node. Bounds for manipulated (floated) flow are always enforced, irrespective of the option chosen for Use Composition Bounds. When the Enable Detailed Catalysis Model action has been performed, the bounds that refers to the catalyst compound are enforced to the catalyst free surface fraction, while the bounds on the catalyst complexes refers to their surface fractions. You may find it useful to define bounds on some compounds, especially when the solution obtained with unbounded variables gives negative values, or if numerical difficulties are encountered during the run. Bounds on the manipulated flow (for pressure control) should be related to equipment capacity constraints for the flow. You may also add bounds for PseudoCompounds. Tabbed Views Actions Tabbed Views Total Moles Total Mass Phase Name Total Moles In this tab, the lower and upper bounds for the flow (floated for pressure control) and for the compounds total moles are defined for each experimental set. Bounds can be enforced for all PseudoCompounds except the ones defined as Specify in Pseudo-Compounds node. For compound moles, the default values are -1E+08 for the lower bounds and 1E+08 for the upper bounds, effectively resulting in an unconstrained system. In a batch reactor with Pressure selected as Controlled, Constant or Interpolated from Data, the Inflow or Outflow that is adjusted to control the pressure has zero lower and upper bounds by default. These bounds must be specified appropriately to allow the pressure to be controlled. Top of Topic Total Mass This tab appears when Mass Density is selected as units of concentrations in the Units Configuration node. It is similar to the Total Moles tab, except that it refers to the Mass of compounds instead of their Moles. Top of Topic *Phase Name* The Phase Name tab is used to set lower and upper bounds for the compounds concentration in each phase and each experimental set. The default values for compounds and pseudocompounds are -1E+08 for the lower bounds and 1E+08 for the upper bounds, effectively resulting in an unconstrained system. Top of Topic Actions Quick Run Open Solver Top of Topic See Also: Project Explorer Estimation Reactor SetName Solution Options

The Bounds node is used to set the lower and upper bounds for the compounds total moles and also for the manipulated (floated) flow, when the pressure is defined as Controlled, Constant or Interpolated from Data in the Reactor node.
The compound bounds entered in this node are enforced only when Use Composition Bounds = Yes is selected in Solution Options node. Bounds for manipulated (floated) flow are always enforced, irrespective of the option chosen for Use Composition Bounds. When the Enable Detailed Catalysis Model action has been performed, the bounds that refers to the catalyst compound are enforced to the catalyst free surface fraction, while the bounds on the catalyst complexes refers to their surface fractions.
You may find it useful to define bounds on some compounds, especially when the solution obtained with unbounded variables gives negative values, or if numerical difficulties are encountered during the run. Bounds on the manipulated flow (for pressure control) should be related to equipment capacity constraints for the flow. You may also add bounds for PseudoCompounds.

Tabbed Views

Actions

Tabbed Views

Total Moles

Total Mass

Phase Name

Total Moles

In this tab, the lower and upper bounds for the flow (floated for pressure control) and for the compounds total moles are defined for each experimental set. Bounds can be enforced for all PseudoCompounds except the ones defined as Specify in Pseudo-Compounds node.

For compound moles, the default values are -1E+08 for the lower bounds and 1E+08 for the upper bounds, effectively resulting in an unconstrained system.
In a batch reactor with Pressure selected as Controlled, Constant or Interpolated from Data, the Inflow or Outflow that is adjusted to control the pressure has zero lower and upper bounds by default. These bounds must be specified appropriately to allow the pressure to be controlled.