ChemApp Feeder

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ChemApp
Overview 		ChemApp
Database Utility 		ChemApp
Model Configuration 		ChemApp
Direct Calc 		ChemApp
Side Calc 		ChemApp
Reactor 		ChemApp
Feeder 		ChemApp
Tank (Dynamic)

Latest SysCAD Version: 25 October 2024 - SysCAD 9.3 Build 139.36522

Related Links: ChemApp SysCAD Project Workflow

Available from Build 139.30807.

General Description

The ChemApp Feeder model allows the user to specify a feeder using ChemApp species. After ChemApp equilibrium calculation, reverse mapping is completed to form SysCAD stream which becomes the outlet product stream. The user enters the mass or molar makeup of the 'Feed' stream, and the unit will then determine the equilibrium conditions of the resulting stream at the user defined temperature/enthalpy and pressure.

This model can act as a source of material, similar to the standard Feeder-Cross Page Connector model. The user sets the Required Flow from the unit, the Temperature and Pressure AND the species composition, on the DInput page.

If an outlet stream is not connected, then the model acts just like the corresponding ChemApp Direct Calc model.

Notes

  1. The user MUST have added and configured a ChemApp Model Configuration unit in the SysCAD project before this unit can function.
  2. The user MUST have installed a version of ChemApp on their computer to make use of the ChemApp functionality in SysCAD. Please see gtt-technologies.de for more information.

Diagram

TCE Feeder.png

The diagram shows the default drawing of a ChemApp feeder unit model.

Inputs and Outputs

Label Required /
Optional		 Input /
Output 		Number of Connections Description
Min Max
Source Optional Output 0 1 Outlet stream.

Model Theory

The ChemApp Feeder Model uses the ChemApp algorithms and data to determine the status of the equilibrium solution.

Mapping of the SysCAD to ChemApp streams is done via Species Mapping.

The ChemApp Feeder can be incorporated into a SysCAD flowsheet, it can be connected with SysCAD inlet and outlet streams.

  1. User connects the ChemApp Feeder with SysCAD input streams,
  2. The SysCAD feed stream(s) using SysCAD species is converted into ChemApp "Input" using ChemApp Species. The species mapping is defined in the corresponding ChemApp Model Configuration unit model.
  3. The ChemApp Feeder calls the ChemApp algorithms to determine the status of the mixture using the converted ChemApp "input" data.
  4. The ChemApp results are displayed in the "output" tab using ChemApp species.
  5. The results are converted back into SysCAD species. Please see Species Mapping for more information.

NOTES:

  • The Input, Output and Diff tab pages are displayed using ChemApp species, as defined in the database (.dat or .cst) specified in the corresponding ChemApp Model Configuration unit model.
  • The species used in the SysCAD project are shown on the optional Sp pages, shown as part of the QFeed, QBypass, QUnmapped, QRxnProdBypass and QProd pages.
  • The calculations performed are similar to using ChemApp directly, except the contents of the SysCAD stream are mapped to equivalent ChemApp species using the settings defined in the ChemApp Model Configuration unit model.


Workflow

The suggested workflow for configuring the model is:

  1. Make sure the project contains at least one of the ChemApp Model Configuration model, and the model is loaded with the correct ChemApp database you would like to use for the ChemApp Feeder.
  2. On the ChemAppFeeder tab page, configure the model - methods, pressures, sub-models (if applicable)
  3. On the DInput tab page, specify the composition of the feed. Note: Flow, temperature and pressure can also be specified on this page.
  4. On the TCE tab page, select the correct ChemModel (to match step 1) (Note: In older builds, this selection was made on the ChemAppFeeder tab page).
  5. Select other TCE options (Bypass, VLE, CFE, etc.)
  6. Choose the Target Calculation OpMode and fill in the required information based on the operation mode selection.
  7. Perform an equilibrium calculation by pressing Solve in SysCAD.
  8. The Results are displayed in the CHEMAPPResults and Output tabs.
  9. Check and fix any species mapping issues. (ChemApp resulting species may change if the operating conditions change, so it is likely a change of temperature or feed composition will result in different ChemApp species.)

Data Sections

The tabs and variable names are described in detail in the following tables.

  1. ChemAppFeeder tab - This first tab allows the user to set the flow, temperature and pressure of the feed stream.
  2. TCE tab - This tab allows the user to choose the corresponding ChemApp Model Configuration unit and set other TCE options.
  3. DInput tab - This tab allows the user to set the conditions and specify the Input composition.
  4. CFE - Optional tab, only visible if the UseCFE option is enabled on the TCE tab page.
  5. CHEMAPPResults tab - This tab displays the key results of the calculations.
  6. Input tab - This tab displays a summary of the Input stream.
  7. Output tab - This tab displays the Output stream results including the amounts of each species present in the final solution.
  8. Diff tab - Optional tab, only visible if the ShowRxnDiff option is enabled on the TCE tab page. This tab displays the amounts of each species which are formed or reacted as part of the calculations.
  9. ElemBal tab - This tab displays an elemental balance between the Input and Output streams.
  10. PhDeport tab - Optional tab, only visible if the PhaseElemDeportment option is enabled on the TCE tab page. This tab shows the movement of elements for the Solid, Liquid and Gas phases.
  11. IPhDeport tab - Optional tab, only visible if the IPhaseElemDeportment option is enabled on the TCE tab page. This tab shows the movement of elements for the individual ChemApp phases.
  12. QProd - Optional tab, only visible if ShowQProd is enabled on the first tab page.
  13. Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.

ChemAppFeeder tab page

Unit Type: ChemAppFeeder - The first tab page in the access window will have this name.

Tag (Long/Short) Input / Calc / Options Description
Tag Display This name tag may be modified with the change tag option.
Condition Display OK if no errors/warnings, otherwise lists errors/warnings.
ConditionCount Display The current number of errors/warnings. If condition is OK, returns 0.
GeneralDescription / GenDesc Display This is an automatically generated description for the unit. If the user has entered text in the 'EqpDesc' field on the Info tab (see below), this will be displayed here.
If this field is blank, then SysCAD will display the UnitType or SubClass.
StreamView Mass.png
Molar.png		 If the Mass button is clicked, the total flow and ChemApp species will be entered/displayed in mass flow view.
If the Mole button is clicked, the total flow and ChemApp species will be entered/displayed in mole flow view.
Required (Mass or Molar) Flow:
MassFlowReqd / QmReqd Input Visible with Mass StreamView. The mass flow required from the feeder.
MoleFlowReqd / QMlReqd Input Visible with Mole StreamView. The molar flow required from the feeder.
Temperature & Pressure Requirements:
Temperature / T Input The required temperature of the material from the feeder.
Pressure / P Input The required pressure of the the material from the feeder.
Results: Flow Conditions
State Display Displays the state of the unit. Options are: Feeder, Sink, Feeder-Connected, Sink-Connected.
MassFlow / Qm Display The mass flow into or out of the unit.
VolFlow / Qv Display The volume flow into or out of the unit.
NVolFlow / NQv Display The normalised volume flow into or out of the unit.
Temperature / T Display The Temperature of the material flowing into or out of the unit.
Density / Rho Display The density of the material flowing into or out of the unit.
Pressure / P Display The pressure of the unit.
Options
PasteData PasteFromClipboard.png Click on this button to paste data copied from another ChemApp stream (using the 'CopyToClipboard' button). The stream may be in the current SysCAD project, or another project.
ShowQProd Tickbox Allows the user to view the Product tab of the Feeder. This is the actual flow from the Feeder unit.

TCE tab page

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
This program contains ChemApp Copyright GTT-Technologies, Germany
Chemistry Model
ChemModel...
UnitTag List The tag of the relevant ChemApp Model Configuration unit model- this may be chosen from the drop down list of all ChemApp Model Configuration unit models available in the project.
ModelCfgTagUsed/ModelCfgTag Display The tag of the relevant ChemApp Model Configuration unit model.
Check Check Tag.png If the user clicks on this button, SysCAD will check that the UnitTag is a valid ChemApp Model Configuration unit model.
ConnOK Tickbox If SysCAD finds a valid ChemApp Model Configuration unit model, then this field will be enabled.
Status OK The specified chemistry model (ChemApp Model Configuration) has been initialised correctly and the database file has been found and loaded correctly.
ChemModel Tag not Specified No tag has been specified for the Chemistry Model. Specify the desired Chemistry Model (ChemApp Model Configuration) in the UnitTag field.
Valid ChemModel Tag Required The tag specified for the Chemistry Model in the UnitTag field is invalid and needs to be corrected.
Init Required The specified Chemistry Model (ChemApp Model Configuration) needs to be initialised.
ChemModel Load Required The database of the specified Chemistry Model (ChemApp Model Configuration) needs to be loaded.
DLL or Version Error There is a problem with the ChemApp DLL or version.
Init Failed Initialisation of the specified Chemistry Model (ChemApp Model Configuration) has been attempted but failed.
Select actions if species unmapped
RevSpMap.UnmappedAction Make Inactive Any unmapped SysCAD species will cause the model to be inactive.
Stop Solver Any unmapped SysCAD species will cause the solver to stop, user will need to fix the species mapping before solving again.
Allow Solve Any unmapped SysCAD species will be ignored. Model will solve but will have a mass balance error.
ActionOnError Continue The model will continue solving if the ChemApp calculation fails.
Pause The model will pause solving if the ChemApp calculation fails.
Stop The model will stop solving if the ChemApp calculation fails.
Requirements
Model None (Off) No calculations will be performed and input=output.
Feeder The results from the ChemApp calculation will be displayed and applied.
VLEModel Display Displays the VLE model used.
UseCFE Tickbox If this is ticked, then the CFE (Constrained Free Energy) tab page will appear.
  • If CFE is not available, this ticked box will be greyed out.
  • This option allows a portion of a species to be locked up and not allowed to react.
  • Applying CFE can have a significant effect on the final composition, use of this feature requires detailed knowledge of the process chemistry.
Select dependent variable and target value
OpMode...
OpMode AtTandP The calculation is performed at the user specified Temperature and Pressure (T and P are entered on the DInput tab page).
Enthalpy CHEMAPP The target variable is the Enthalpy of the final solution. ChemApp Enthalpy is maintained.
PhaseFormation Available in full ChemApp only. The target variable is the amount of a particular phase present in the final solution.
PhasePrecipitation Available in full ChemApp only. The target variable is the point of precipitation of a second phase from a single phase. For example, if you have a stream which is entirely gas phase, you can calculate the temperature at which a second phase starts to appear.
CalcEnthalpy Tickbox Only visible when OpMode = AtTandP. Whether to calculate ChemApp enthalpy.
dEnth.Reqd / dH.Reqd Input Only visible if OpMode = Enthalpy. The user specified target duty.
SelPhase... (only visible if OpMode = PhaseFormation or PhasePrecipitation)
Contains Input Only visible if OpMode = PhaseFormation or PhasePrecipitation. Allows user to optionally shorten the Phase Selection list (Phase) by entering in some letters from the desired phase.
Phase List Only visible if OpMode = PhaseFormation or PhasePrecipitation. The user can select one phase from the list of all phases in the ChemApp database. The list will not show all phases if user has entered some letters in the Contains field above.
MoleBasis Tickbox Only visible if OpMode = PhaseFormation. Selecting this tickbox allows user to specify the target mole flow. If this is not selected, then mass flow is used.
MassFlowReqd / QmReqd Input Only visible if OpMode = PhaseFormation and MoleBasis = unticked. The user specified mass flow of the chosen phase/species that is to be formed.
MoleFlowReqd / QMlReqd Input Only visible if OpMode = PhaseFormation and MoleBasis = ticked. The user specified moles of the chosen phase/species that is to be formed.
Target calculation details (only displayed if OpMode ≠ Temperature or FeedT)
TargCalc...
UseRelaxation Tickbox
RelaxationFactor Input The RelaxationFactor, used when UseRelaxation is ticked. Values limits: 0.001 < RelaxationFactor < 5.
Settings TargSolv Reset Button.png If the user clicks on this button, the all the target solver settings will be reset to their default values.
SpMoleFlow / QMl Display Only shown if AdjustVar.Method = AdjustQMl. The actual mole flow used of the adjusted species.
SpMoleFlow / Qm Display Only shown if AdjustVar.Method = AdjustQMl. The actual mass flow used of the adjusted species.
Options
ShowRxnDiff Tickbox Allows the user to view the Diff tab page. This shows the difference between the mapped input stream seen by ChemApp and the ChemApp calculation results.
PhaseElemDeportment Tickbox If this is ticked, then the PhDeport tab page will appear. This tab shows the mass movement of elements for the Solid, Liquid and Gas phases.
IPhaseElemDeportment Tickbox If this is ticked, then the IPhDeport tab page will appear. This shows how the elements move between phases due to the ChemApp calculation results.
ShowPlotter Tickbox This option is only visible if this model has been successfully run. Allows the user to perform a parameter sweep using the product stream of the side calculator. If this is ticked, then the ParamSweep tab page will appear.

DInput tab page

This tab is used to define the Inputs for the ChemApp calculation, including the composition in terms of ChemApp species.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Required Mass/Molar Flow:
MassFlowReqd / QmReqd Input Visible with Mass StreamView. The mass flow required from the feeder.
MoleFlowReqd / QMlReqd Input Visible with Mole StreamView. The molar flow required from the feeder.
Temperature & Pressure Requirements:
Temperature / T Input The required temperature of the user input mixture.
Pressure / P Input The required pressure of the user input mixture.
StreamView Mass.png
Molar.png		 If the Mass button is clicked, the ChemApp species will be entered/displayed in mass flow view.
If the Mole button is clicked, the ChemApp species will be entered/displayed in mole flow view.
DFeed...
SpeciesName SpeciesLongButton.png
SpeciesShortButton.png		 The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
NetCharge Display The NetCharge of the stream.
(The following tables allow the user to specify the composition of the Input by specifying the mass or mole of the individual ChemApp species.)
(Each table (one for each phase) has the following columns (one row for each species):)
MassFlow / Qm Input Visible when Mass StreamView is selected. The user specified mass flow of each ChemApp species.
MassFrac / Mf Display Visible when Mass StreamView is selected. The mass fraction of the species in the total input.
PhaseMassFrac / IPh:Mf Display Visible when Mass StreamView is selected. The mass fraction of the species in the displayed phase.
MoleFlow / QMl Input Visible when Mole StreamView is selected. The user specified mole flow of each ChemApp species.
MoleFrac / Mlf Display Visible when Mole StreamView is selected. The mole fraction of the species in the total input.
PhaseMoleFrac / IPh:Mlf Display Visible when Mole StreamView is selected. The mole fraction of the species in the displayed phase.

CFE tab page

This tab is only visible if the UseCFE option is enabled on the TCE tab page.

  • This option allows a portion of a species to be locked up and not allowed to react.
  • Applying CFE can have a significant effect on the final composition, use of this feature requires detailed knowledge of the process chemistry.
  • This feature is unavailable if using SysCAD VLE with ChemApp.
Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Constrained Free Energy (CFE) Configuration
CFE...
SpeciesName SpeciesLongButton.png
SpeciesShortButton.png		 The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
Filter View
Filter Button - Filter On.png
Button - Filter Off.png 		This button will enable or disable the species filter options.
ShowUnmapped
(Only visible if Filter is enabled) 		Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases
(Only visible if Filter is enabled)		 All No filtering of species based on phase.
Solids Only show solid phase species, hide other species.
Liquids Only show liquid phase species, hide other species.
Vapours Only show vapour (gaseous) phase species, hide other species.
Solids & Liquids Only show solid and liquid phase species, hide other species.
Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species.
Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species.
IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the ChemApp database chosen.
Filters Display Always set to 'Content'.
Content
(Only visible if Filter is enabled)		 All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Filter is enabled and Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
(The following tables (one per phase) display the ChemApp species from the selected database. The user can set the Inert Fraction for each species. Note that liquid ions are not shown on this page as the Inert Fractions cannot be set for them.)
(Each table has the following column (one row per ChemApp species):)
InertFrac Input The user specified fraction of the species that is considered inert, i.e. cannot react to form other species/ions. The presence of the inert fraction is still taken into account when calculating stream properties. This is only available as an input for molecular species (not ions).

CHEMAPPResults tab page

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
ChemApp Calculation Results Summary
Feed Massflow Summary
ChemApp.Feed.MassFlow / Qm Display The mass flow of material in the feed to the ChemApp calculation. Same value as tag Feed.Qm.
Product Massflow Summary
ChemApp.Prod.MassFlow / Qm Display The mass flow of material in the product of the ChemApp calculation. Same value as tag Prod.Qm.


Solids Yield
Solids.Precip Display The change in solids flow, feed-product. A positive value indicates precipitation has occurred. A negative value indicates dissolution has occurred.
Stream Properties Summary
Prod...
Temperature / T Display The Temperature of the final solution.
Pressure / P Display The Pressure of the final solution.
MassFlow / Qm Display The Mass flow of the final solution.
Hf@T Display The Enthalpy of the final solution per unit mass.
Enthalpy / totHf@T Display The Enthalpy of the final solution.
Entropy Display The entropy of the final solution.
FreeEnergy / Gf@T Display The Free Energy of the final solution.
Zeros Hide Zeros.png
Show Zeros.png		 If the Hide Zeros button is clicked, all phases/species that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all phases/species will be displayed, including those with zero mass flow.
Note this setting applies to the subsequent pages as well.
Feed...
Feed Phase Flowrate Summary
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)):
MassFlow / Qm Display The mass flow of the relevant phase in the feed.
MassFrac / Mf Display The mass fraction of the relevant phase in the feed.
MoleFlow / QMl Display The mole flow of the relevant phase in the feed.
MoleFrac / Mlf Display The mole fraction of the relevant phase in the feed.
Prod...
Prod Phase Flowrate Summary
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)):
MassFlow / Qm Display The mass flow of the relevant phase in the final solution.
MassFrac / Mf Display The mass fraction of the relevant phase in the final solution.
MoleFlow / QMl Display The mole flow of the relevant phase in the final solution.
MoleFrac / Mlf Display The mole fraction of the relevant phase in the final solution.
ChemApp Energy Balance (only shown if CalcEnthalpy is enabled on TCE tab page)
ChemApp.HeatFlow Display Difference in enthalpy between the product and feed of the ChemApp reactions calculated by ChemApp.
Bypass.HeatFlow Display The heat required to adjust the temperature and pressure of the bypass stream to exit conditions.
HeatLoss Display The environmental heat loss.
HeatFlow Display The heat flow required to achieve the product conditions relative to the feed conditions. Includes environmental heat loss if applicable. This is calculated by ChemApp and accounts for bypass and heat loss. Note that Bypass heat is calculated by SysCAD.
Reverse Mapping Summary
RevMap.TCEProd Display This displays mass and ChemApp enthalpy of the Output stream from ChemApp. The enthalpy of the RevMap.TCEProd stream and the RevMap stream are likely to be different. Some reasons for differences include differences in enthalpy values for pure species and the incorporation of additional solution thermodynamics terms.
RevMap Display This displays mass and SysCAD enthalpy of the Prod stream after reverse mapping.
RevMap.Diff Display This displays the difference in mass and enthalpy between the Output stream and Prod stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data.
RevMap.RelDiff Display This displays the relative difference in mass and enthalpy between the Output stream and Prod stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data.
Copy Reverse Mapping Reactions to Clipboard
RevMap.IonRxns RevMapIonsCopyToClipboard.png Pushing this button copies to the clipboard a list of reactions that were executed to perform the reverse mapping. These can then be pasted into Excel to generate a table.
Calculation Summary
Summary...
LastCalcType Display This displays the type of calculation (OpMode) used for the last calculation.
Remove Remove Duplicates.png If the user clicks on this button, SysCAD will remove duplicate error messages received.
ErrorCount Display The total number of errors encountered in the last calculation.
ErrorXX Display If there are error messages associated with the last calculation, they will be displayed here.
ConvergenceError Display The largest numerical convergence error. This is often zero when the solution converges with no errors.

Input tab page

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Stream Properties Summary
Feed...
Temperature / T Display The Temperature of the feed solution. This is calculated using the SysCAD enthalpy context.
Pressure / P Display The Pressure of the feed solution.
MassFlow / Qm Display The Mass Flow of the feed solution.
Hf@T Display The Enthalpy of the feed solution per unit mass. This is calculated by ChemApp.
Enthalpy / totHf@T Display The Enthalpy of the feed solution. This is calculated by ChemApp.
Entropy Display The entropy of the feed solution.
FreeEnergy / Gf@T Display The Free Energy of the feed solution.
Feed...
SpeciesName SpeciesLongButton.png
SpeciesShortButton.png		 The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
Zeros Hide Zeros.png
Show Zeros.png		 If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow.
StreamView Mass.png
Molar.png		 If the Mass button is clicked, the species will be shown in mass flow view.
If the Mole button is clicked, the species will be shown in mole flow view.
Stream Copy to Clipboard Button.png Mass Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
Mole Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
Unmapped Mass Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
Unmapped Mole Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
Filter View
Filter Button - Filter On.png
Button - Filter Off.png		 This button will enable or disable the species filter options.
ShowUnmapped
(Only visible if Filter is enabled)		 Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases
(Only visible if Filter is enabled)		 All No filtering of species based on phase.
Solids Only show solid phase species, hide other species.
Liquids Only show liquid phase species, hide other species.
Vapours Only show vapour (gaseous) phase species, hide other species.
Solids & Liquids Only show solid and liquid phase species, hide other species.
Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species.
Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species.
IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the {{{TPS}}} database chosen.
Filters
(Only visible if Filter is enabled) 		Content All species which meet the Phase and Content criteria will be displayed.
Content & MassFrac Limit Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
Content & MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
Content & MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Limit Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content
(Only visible when one of
the Content Filter options
is selected)		 All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit Input Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count Input Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.)
(Each table (one for each phase) has the following columns (one row for each species). )
MassFlow / Qm Display Visible when StreamView = Mass. The mass flow of the species in the feed stream.
MassFrac / Mf Display Visible when StreamView = Mass. The mass fraction of the species in the feed stream.
PhaseMassFrac / IPh:Mf Display Visible when StreamView = Mass. The mass fraction of the species in the displayed phase.
MoleFlow / QMl Display Visible when StreamView = Mole. The mole flow of the species in the feed stream.
MoleFrac / Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the feed stream.
PhaseMoleFrac / IPh:Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the displayed phase.


Output tab page

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Stream Properties Summary
Prod...
Temperature / T Display The Temperature of the product solution. This is calculated by ChemApp.
Pressure / P Display The Pressure of the product solution.
MassFlow / Qm Display The Mass Flow of the product solution.
Hf@T Display The Enthalpy of the product solution per unit mass. This is calculated by ChemApp.
Enthalpy / totHf@T Display The Enthalpy of the product solution. This is calculated by ChemApp.
Entropy Display The entropy of the product solution.
FreeEnergy / Gf@T Display The Free Energy of the product solution.
Prod...
SpeciesName SpeciesLongButton.png
SpeciesShortButton.png		 The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
Zeros Hide Zeros.png
Show Zeros.png		 If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow.
StreamView Mass.png
Molar.png		 If the Mass button is clicked, the species will be shown in mass flow view.
If the Mole button is clicked, the species will be shown in mole flow view.
Stream Copy to Clipboard Button.png Mass Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
Mole Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
Unmapped Mass Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
Unmapped Mole Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
Filter View
Filter Button - Filter On.png
Button - Filter Off.png		 This button will enable or disable the species filter options.
ShowUnmapped
(Only visible if Filter is enabled)		 Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases
(Only visible if Filter is enabled)		 All No filtering of species based on phase.
Solids Only show solid phase species, hide other species.
Liquids Only show liquid phase species, hide other species.
Vapours Only show vapour (gaseous) phase species, hide other species.
Solids & Liquids Only show solid and liquid phase species, hide other species.
Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species.
Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species.
IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the {{{TPS}}} database chosen.
Filters
(Only visible if Filter is enabled) 		Content All species which meet the Phase and Content criteria will be displayed.
Content & MassFrac Limit Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
Content & MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
Content & MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Limit Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content
(Only visible when one of
the Content Filter options
is selected)		 All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit Input Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count Input Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.)
(Each table (one for each phase) has the following columns (one row for each species). Totals for fractions/flows and maximum values for SatIdx are on the last row of each phase section.)
MassFlow / Qm Display Visible when StreamView = Mass. The mass flow of the species in the product stream.
MassFrac / Mf Display Visible when StreamView = Mass. The mass fraction of the species in the product stream.
PhaseMassFrac / IPh:Mf Display Visible when StreamView = Mass. The mass fraction of the species in the displayed phase.
MoleFlow / QMl Display Visible when StreamView = Mole. The mole flow of the species in the product stream.
MoleFrac / Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the product stream.
PhaseMoleFrac / IPh:Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the displayed phase.
Activity Display Only shown for non-gaseous species. The activity of the species.
Fugacity Display Only shown for gaseous species. The fugacity of the species.

Diff tab page

This tab is only visible if ShowRxnDiff is ticked. The displayed results are the difference between input and output streams.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Stream Properties Summary
Diff...
Temperature / T Display The Temperature difference between the feed and product solutions.
Pressure / P Display The Pressure difference between the feed and product solutions.
MassFlow / Qm Display The Mass Flow difference between the feed and product solutions.
Hf@T Display The Enthalpy difference between the feed and product solutions per unit mass. This is calculated by ChemApp.
Enthalpy / totHf@T Display The Enthalpy difference between the feed and product solutions. This is calculated by ChemApp.
Entropy Display The entropy difference between the feed and product solutions.
FreeEnergy / Gf@T Display The Free Energy difference between the feed and product solutions.
Diff...
SpeciesName SpeciesLongButton.png
SpeciesShortButton.png		 The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
Zeros Hide Zeros.png
Show Zeros.png		 If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow.
StreamView Mass.png
Molar.png		 If the Mass button is clicked, the species will be shown in mass flow view.
If the Mole button is clicked, the species will be shown in mole flow view.
Stream Copy to Clipboard Button.png Mass Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
Mole Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
Unmapped Mass Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
Unmapped Mole Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
Filter View
Filter Button - Filter On.png
Button - Filter Off.png		 This button will enable or disable the species filter options.
ShowUnmapped
(Only visible if Filter is enabled)		 Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases
(Only visible if Filter is enabled)		 All No filtering of species based on phase.
Solids Only show solid phase species, hide other species.
Liquids Only show liquid phase species, hide other species.
Vapours Only show vapour (gaseous) phase species, hide other species.
Solids & Liquids Only show solid and liquid phase species, hide other species.
Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species.
Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species.
IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the {{{TPS}}} database chosen.
Filters
(Only visible if Filter is enabled) 		Content All species which meet the Phase and Content criteria will be displayed.
Content & MassFrac Limit Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
Content & MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
Content & MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Limit Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content
(Only visible when one of
the Content Filter options
is selected)		 All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit Input Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count Input Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.)
(Each table (one for each phase) has the following columns (one row for each species). )
MassFlow / Qm Display Visible when StreamView = Mass. The difference in mass flow of the species.
MassFrac / Mf Display Visible when StreamView = Mass. The difference in mass fraction of the species.
PhaseMassFrac / IPh:Mf Display Visible when StreamView = Mass. The difference in mass fraction of the species in the displayed phase.
MoleFlow / QMl Display Visible when StreamView = Mole. The difference in mole flow of the species.
MoleFrac / Mlf Display Visible when StreamView = Mole. The difference in mole fraction of the species.
PhaseMoleFrac / IPh:Mlf Display Visible when StreamView = Mole. The difference in mole fraction of the species in the displayed phase.


ElemBal tab page

This tab performs an element balance between the ChemApp Input and Output streams and separately, between the SysCAD Input and Output streams.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
ElemBal...
Tol.SigDigits Input This provides an easy way to change the Tol.Rel value. For example, 4 here will set Tol.Rel = 1.00e-4. If user changes the Tol.Rel value, this value will also be updated.
Tol.Rel Input The relative tolerance for Element Balance (Input - Output). If the relative error is > Tol.Rel then an error is generated. The value of Tol.Rel shown/specified here is used in all ChemApp unit models which reference the same ChemApp Model Configuration unit model.
Tol.Abs Input The absolute tolerance for Element Balance (Input - Output). If the absolute error is > Tol.Abs then an error is generated. The value of Tol.Abs shown/specified here is used in all ChemApp unit models which reference the same ChemApp Model Configuration unit model.
ChemApp...
ElementBalanceView Mass.png
Molar.png 		If the Mass button is clicked, the elements will be shown in mass flow view.
If the Mole button is clicked, the elements will be shown in mole flow view.
Zeros Hide Zeros.png
Show Zeros.png 		If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow.
ChemApp Element Balance
(The following table displays the mass/molar flows, and absolute and relative errors of the individual elements.)
The table has the following columns (one row for each element):
FlowIn / Qm.In Display Visible when ElementBalanceView = Mass. The mass flow of the element in the ChemApp Input stream.
FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the ChemApp Output stream. The QRxnBypass stream is also included in this total. This can be viewed by clicking "ShowQRxnBypass".
AbsErr / Qm.Err Display Visible when ElementBalanceView = Mass. The difference in mass flow of the element between the ChemApp Output and Input streams.
FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the ChemApp Input stream.
FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the ChemApp Output stream.
AbsErr / QMl.Err Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the ChemApp Output and Input streams.
RelErr Display The relative difference in flow of the element between the ChemApp Output and Input streams, relative to the Input stream.
Scd...
SysCAD Element Balance
(The following table displays the mass/molar flows, and absolute and relative errors of the individual elements.)
The table has the following columns (one row for each element):
FlowIn / Qm.In Display Visible when ElementBalanceView = Mass. The mass flow of the element in the SysCAD Input stream.
FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the SysCAD Output stream. The QRxnBypass stream is also included in this total. This can be viewed by clicking "ShowQRxnBypass".
AbsErr / Qm.Err Display Visible when ElementBalanceView = Mass. The difference in mass flow of the element between the SysCAD Output and Input streams.
FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the SysCAD Input stream.
FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the SysCAD Output stream.
AbsErr / QMl.Err Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the SysCAD Output and Input streams.
RelErr Display The relative difference in flow of the element between the SysCAD Output and Input streams, relative to the Input stream.

PhDeport tab page

This tab is only visible if PhaseElemDeportment is ticked. This tab shows the mass movement of elements for the Liquid, Solid and Gas phases.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
PD...
ElementBalanceView Mass.png
Molar.png 		If the Mass button is clicked, the elements will be shown in mass flow view.
If the Mole button is clicked, the elements will be shown in mole flow view.
Zeros Hide Zeros.png
Show Zeros.png 		If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow.
ChemApp.Liquid...
ChemApp Deportment
(The following table displays the mass/molar flows, and absolute and relative changes of the individual elements.)
The table has the following columns (one row for each element):
FlowIn / Qm.In Display Visible when ElementBalanceView = Mass. The mass flow of the element in the liquid phase of the Input stream.
FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the liquid phase of the Output stream.
Change / Qm.Chng Display Visible when ElementBalanceView = Mass. The change in mass flow of the element between the liquid phase of the Output and Input streams.
FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the liquid phase of the Input stream.
FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the liquid phase of the Output stream.
Change / QMl.Chng Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the liquid phase of the Output and Input streams.
RelChange Display The relative change in flow of the element between the liquid phase of the Output and Input streams, relative to the Input stream.
ChemApp.Solid...
ChemApp Deportment
(The following table displays the mass/molar flows, and absolute and relative changes of the individual elements.)
The table has the following columns (one row for each element):
FlowIn / Qm.In Display Visible when ElementBalanceView = Mass. The mass flow of the element in the solid phase of the Input stream.
FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the solid phase of the Output stream.
Change / Qm.Chng Display Visible when ElementBalanceView = Mass. The change in mass flow of the element between the solid phase of the Output and Input streams.
FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the solid phase of the Input stream.
FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the solid phase of the Output stream.
Change / QMl.Chng Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the solid phase of the Output and Input streams.
RelChange Display The relative change in flow of the element between the solid phase of the Output and Input streams, relative to the Input stream.
ChemApp.Gas...
ChemApp Deportment
(The following table displays the mass/molar flows, and absolute and relative changes of the individual elements.)
The table has the following columns (one row for each element):
FlowIn / Qm.In Display Visible when ElementBalanceView = Mass. The mass flow of the element in the gas phase of the Input stream.
FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the gas phase of the Output stream.
Change / Qm.Chng Display Visible when ElementBalanceView = Mass. The change in mass flow of the element between the gas phase of the Output and Input streams.
FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the gas phase of the Input stream.
FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the gas phase of the Output stream.
Change / QMl.Chng Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the gas phase of the Output and Input streams.
RelChange Display The relative change in flow of the element between the gas phase of the Output and Input streams, relative to the Input stream.

IPhDeport tab page

This tab is only visible if IPhaseElemDeportment is ticked. This tab shows the mass movement of elements for each ChemApp phase.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
IPD...
ElementBalanceView Mass.png
Molar.png 		If the Mass button is clicked, the elements will be shown in mass flow view.
If the Mole button is clicked, the elements will be shown in mole flow view.
Zeros Hide Zeros.png
Show Zeros.png 		If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow.
ChemApp.<ChemApp PHASE>...
ChemApp Deportment
(The following table displays the mass/molar flows, and absolute and relative changes of the individual elements.)
The table has the following columns (one row for each element):
FlowIn / Qm.In Display Visible when ElementBalanceView = Mass. The mass flow of the element in the selected ChemApp phase of the Input stream.
FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the selected ChemApp phase of the Output stream.
Change / Qm.Chng Display Visible when ElementBalanceView = Mass. The change in mass flow of the element between the selected ChemApp phase of the Output and Input streams.
FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the selected ChemApp phase of the Input stream.
FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the selected ChemApp phase of the Output stream.
Change / QMl.Chng Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the selected ChemApp phase of the Output and Input streams.
RelChange Display The relative change in flow of the element between the selected ChemApp phase of the Output and Input streams, relative to the Input stream.

Adding this Model to a Project

Insert into Configuration file

Sort either by DLL or Group.

 

DLL:

ScdChemApp.dll

→

Units/Links

→

TCE ChemApp: ChemApp Feeder

or

Group:

Energy Transfer

→

Units/Links

→

TCE ChemApp: ChemApp Feeder

See Model Selection for more information on adding models to the configuration file.


Insert into Project

 

Insert Unit

→

TCE ChemApp

→

ChemApp Feeder

See Insert Unit for general information on inserting units.

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