Estimation - Reactor

Flows »
The Flows Node is available only when a Batch reactor has been selected in the Reactor Node and either Fedbatch Flows or Outflows were enabled in Reactor Properties view. Grid Views Actions Grid Views Inflows Outflows Specify Composition Inflows This view is visible when Fedbatch Flows is enabled in Reactor Properties view. The view is organized in four columns: Flow: Here you may add, delete or rename an Inflow. The inflow name must meet a Special Syntax. Flow Contents: For inflows, the only option is Specified Composition. The inflow composition must be thus entered in the Composition view. Phase: By default, the phase is set to Not Defined. For a Single Liquid or Single Gas reactor, it is assumed that the Inflow phase is the same as the reactor phase. For Multiphase reactor, you may select the phase for the Inflows. This specification has an impact on the model calculations only when the Use Energy Balance feature is enabled in Reactor node. Specification: The options available are described below, and they can be changed by executing the Flow Specification action: Fix to Data is selected by default. So the flowrate will be set by interpolating the numerical values entered in Measurements for each experimental Set. Float for Pressure Control: This option will be available only when Pressure is set as Controlled or Interpolated from Data in the Reactor Node. When this option is selected, REX calculates the flowrate in order to match the reactor pressure data provided in the Measurements Node for each experimental set. Outflows This view is visible when Outflows is enabled in Reactor Properties view. This grid is organized in four columns: Flow: Here you may add, delete or rename an Outflow. The name must meet a Special Syntax. Flow Contents: The options are Reaction Mixture and Specified Composition. If Reaction Mixture is selected, REX assumes that the outflow is from a particular phase in the reactor. The outflow then is in volumetric units (default lit/min), and will have the same composition as its corresponding phase (specified in the Phase column). If Specified Composition is selected, then the outflow is assumed to be a molar outflow (default mol/min) from the reactor with a specified composition. This composition (in mole fraction) is entered in the Composition view. Since the flow is entered in moles, the phase specification is not needed for this type of flow. Phase: If the flow is defined as Reaction Mixture, you must specify the phase of the outflow. If the flow is defined as Specified Composition, then this option has no impact on the model. Specification: The options available are described below, and they can be changed by executing the Flow Specification action: Fix to Data is selected by default. So the flowrate will be set by interpolating the numerical values entered in Measurements for each experimental Set. Float for Pressure Control: This option will be available only when Pressure is set as Controlled or Interpolated from Data in the Reactor Node. When this option is selected, REX calculates the flowrate in order to match the reactor pressure data provided in the Measurements Node for each experimental set. Specify Composition There are two grids available in this view to add the composition for the inflows and outflows whose Flow Contents is defined as Specified Composition. *Grids* Flows Flow Name Composition Flows This grid displays the list of all inflows together with the outflows which are of the Specified Composition type. Select a flow here to view its composition in the grid below. Flow Name Composition This grid depends on the first Flows grid and allows you to specify the composition of the selected flow in the Flows grid. It is organized as explained below: Component column: In this column you may select the compounds that are present in the flow from the drop-list. Molar Fraction or Mass Fraction column: Here you may enter the molar fraction of each compound when Molarity or Partial Pressure have been selected as Concentrations units in the Units Configuration node. If Mass Density is selected, then the mass fraction is entered here. Remember that the sum of fractions must not be higher than one. Note: You may run Checkmodel to verify that the molar/mass composition have been entered correctly. Top of Topic Actions Flow Specification Quick Run Open Solver Flow Specification This action allows to change the option in the Specification column for the Inflows or Outflows defined. For each flow, one of the following two options can be selected: Fix to Data: The flowrate will be set by interpolating the numerical values entered in Measurements for each experimental Set. Float for Pressure Control: This option will be available only when Pressure is set as Controlled or Interpolated from Data in the Reactor Node. When this option is selected, REX calculates the flowrate in order to match the reactor pressure data provided in the Measurements Node for each experimental set. Note: When the pressure is defined as Controlled, Constant or Interpolated from Data, one and only one flow must be defined as Float for Pressure Control. Top of Topic See Also: Project Explorer Estimation Reactor

Inflows

This view is visible when Fedbatch Flows is enabled in Reactor Properties view.
The view is organized in four columns:

Flow: Here you may add, delete or rename an Inflow. The inflow name must meet a Special Syntax.
Flow Contents: For inflows, the only option is Specified Composition. The inflow composition must be thus entered in the Composition view.
Phase: By default, the phase is set to Not Defined. For a Single Liquid or Single Gas reactor, it is assumed that the Inflow phase is the same as the reactor phase. For Multiphase reactor, you may select the phase for the Inflows. This specification has an impact on the model calculations only when the Use Energy Balance feature is enabled in Reactor node.
Specification: The options available are described below, and they can be changed by executing the Flow Specification action:
- Fix to Data is selected by default. So the flowrate will be set by interpolating the numerical values entered in Measurements for each experimental Set.
- Float for Pressure Control: This option will be available only when Pressure is set as Controlled or Interpolated from Data in the Reactor Node. When this option is selected, REX calculates the flowrate in order to match the reactor pressure data provided in the Measurements Node for each experimental set.

Outflows

This view is visible when Outflows is enabled in Reactor Properties view.
This grid is organized in four columns:

Flow: Here you may add, delete or rename an Outflow. The name must meet a Special Syntax.
Flow Contents: The options are Reaction Mixture and Specified Composition. If Reaction Mixture is selected, REX assumes that the outflow is from a particular phase in the reactor. The outflow then is in volumetric units (default lit/min), and will have the same composition as its corresponding phase (specified in the Phase column). If Specified Composition is selected, then the outflow is assumed to be a molar outflow (default mol/min) from the reactor with a specified composition. This composition (in mole fraction) is entered in the Composition view. Since the flow is entered in moles, the phase specification is not needed for this type of flow.
Phase: If the flow is defined as Reaction Mixture, you must specify the phase of the outflow.
If the flow is defined as Specified Composition, then this option has no impact on the model.
Specification: The options available are described below, and they can be changed by executing the Flow Specification action:
- Fix to Data is selected by default. So the flowrate will be set by interpolating the numerical values entered in Measurements for each experimental Set.
- Float for Pressure Control: This option will be available only when Pressure is set as Controlled or Interpolated from Data in the Reactor Node. When this option is selected, REX calculates the flowrate in order to match the reactor pressure data provided in the Measurements Node for each experimental set.

Specify Composition

There are two grids available in this view to add the composition for the inflows and outflows whose Flow Contents is defined as Specified Composition.

Grids

Flows

Flow Name Composition

Flows

This grid displays the list of all inflows together with the outflows which are of the Specified Composition type. Select a flow here to view its composition in the grid below.

Flow Name Composition

This grid depends on the first Flows grid and allows you to specify the composition of the selected flow in the Flows grid. It is organized as explained below:

Component column: In this column you may select the compounds that are present in the flow from the drop-list.
Molar Fraction or Mass Fraction column: Here you may enter the molar fraction of each compound when Molarity or Partial Pressure have been selected as Concentrations units in the Units Configuration node. If Mass Density is selected, then the mass fraction is entered here.
Remember that the sum of fractions must not be higher than one.

Note: You may run Checkmodel to verify that the molar/mass composition have been entered correctly.

Flows »