ChemApp Direct Calc Model

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ChemApp Overview	ChemApp Model Configuration	ChemApp Direct Calc Model	ChemApp Side Calc Model	ChemApp Reactor

Latest SysCAD Version: 21 September 2021 - SysCAD 9.3 Build 139.29552

Related Links: ChemApp SysCAD Project Workflow

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First made available in Build 138 (as BETA version). Formally released as part of Build 139. The ChemApp FACTSage SysCAD add-on and models documentation is for the latest version of SysCAD.

General Description

The ChemApp Direct Calc model allows the user to 'call' the ChemApp solver to determine the state of an equilibrium solution at a given temperature/enthalpy and pressure. 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.

The model has no links to any other models in SysCAD. Therefore, this model is not a part of any SysCAD network, but is a stand-alone calculation that allows the user to check the status of an equilibrium solution.

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

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

Inputs and Outputs

There are no connections to this unit.

Model Theory

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

The ChemApp Direct Calc Model calls the ChemApp algorithms to determine the status of the mixture using the ChemApp "DInput" data. The ChemApp results are displayed in the "Output" tab using ChemApp species.

The DInput, Input, Output and Diff pages are displayed using ChemApp species, as defined in the database (.dat or .cst) file specified in the corresponding ChemApp Model Configuration unit model. The species used in the SysCAD project are not used in this model.

The calculations performed are similar to using ChemApp directly. Please see gtt-technologies.de for more information.

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 file you would like to use for the direct calculation.
2. On the Direct Calc DInput tab page, type in the required feed properties for T, P and mass or mole flow of individual species.
3. Press the button to transfer the inputs from the DInput tab page to the Input tab page.
4. Perform an equilibrium calculation based on constant Temperature or constant enthalpy by pressing the corresponding button.
5. The Results are displayed on the ChemAppResults and Output tabs.

NOTES:

1. The ChemApp Direct Calc Model does not require species mapping between ChemApp and SysCAD.

Data Sections

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

1. ChemAppDirectCalc tab - This first tab allows the user to choose the corresponding ChemApp Model Configuration unit and set some general options.
2. DInput tab - This tab allows the user to set the final conditions, specify the Input composition and perform calculations.
3. VLE - Optional tab, only visible if the UseSysCADVLE/VLE.On option is enabled on the first tab page.
4. CFE - Optional tab, only visible if the UseCFE option is enabled on the first tab page.
5. ChemAppResults tab - In Build 138, this is called Results. 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 ShowRxnDiff is enabled on the first 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/Deportment tab - Optional tab, only visible if the PhaseElemDeportment option is enabled on the first tab page. This tab shows the movement of elements for the Solid, Liquid and Gas phases.
11. IPhDeport/IDeportment tab - Optional tab, only visible if the IPhaseElemDeportment option is enabled on the first tab page. This tab shows the movement of elements for individual ChemApp phases.
12. ParamSweep tab - Optional tab, only visible if the ShowPlotter option is enabled on the first tab page. This tab allows the user to generate sets of data.
13. SpForPlot tab - Optional tab, only visible if the SelectSp option is enabled on the ParamSweep tab. This tab allows the user to select which species to be reported in the sets of data to be generated.
14. TargCalc tab - Only available in Build 138. This tab allows the user to target a variable in the final solution.
15. Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.

ChemAppDirectCalc tab page

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

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
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 unit class ID.
This program contains ChemApp Copyright GTT-Technologies, Kaiserstrasse 103, D-52134 Herzogenrath, Germany http://www.gtt-technologies.de
Calculation Mode
OpMode...
OpMode	Temperature	The target variable is the Temperature of the final solution.
	Enthalpy CHEMAPP	The target variable is the Enthalpy of the final solution. ChemApp Enthalpy is maintained.
	PhaseFormation	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.
TemperatureReqd / T_Reqd	Input	Only visible if OpMode = Temperature. The user specified target temperature for the final solution.
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.
Detailed	Tickbox	If enabled, displays additional parameters for the user to specify as explained in the AdjustVar section below.
(The following section is only displayed if the Detailed option has been enabled and OpMode = Enthalpy CHEMAPP, PhaseFormation or PhasePrecipitation)
AdjustVar...
Method	AdjustT	The chosen independent variable for adjustment is Temperature.
	AdjustQMl	The chosen independent variable is flow of an individual species.
InitTemperature / InitT	Input	Only visible if Method = AdjustT. The initial guess to be used for the temperature of the final solution.
MaxTemperature / MaxT	Input	Only visible if Method = AdjustT. The maximum temperature of the final solution.
SelPhase... (only visible if Method = AdjustQMl)
Contains	Input	Only visible if Method = AdjustQMl. Allows user to optionally shorten the Phase Selection list (SelPhase) by entering in some letters from the desired phase.
SelPhase	List	Only visible if Method = AdjustQMl. 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.
SelSp... (only visible if Method = AdjustQMl)
Contains	Input	Only visible if Method = AdjustQMl. Allows user to optionally shorten the Species Selection list (TargSpAdjust) by entering in some letters from the desired species.
TargSpAdjust	List	Only visible if Method = AdjustQMl. The user can select a single species to have limits imposed from the list of all species in the ChemApp database. The list will be limited to those in the selected phase (SelPhase) and will not show all species if user has entered some letters in the Contains field above.
MoleBasis	Tickbox	Only visible if Method = AdjustQMl. If this box is ticked, user specifies the minimum and maximum mole flow of selected species. If this is not ticked, user can specify these flows in terms of mass flow.
MinSpMassFlow / MinSpQm	Input	Only visible if Method = AdjustQMl and MoleBasis is not ticked. The minimum mass flow of the selected species in the final solution.
MaxSpMassFlow / MaxSpQm	Input	Only visible if Method = AdjustQMl and MoleBasis is not ticked. The maximum mass flow of the selected species in the final solution.
MinSpMoleFlow / MinSpQMl	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The minimum mole flow of the selected species in the final solution.
MaxSpMoleFlow / MaxSpQMl	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The maximum mole flow of the selected species in the final solution.
(The following section is only displayed if the Detailed option has been enabled)
TargCalc...
UseRelaxation	Tickbox
RelaxationFactor	Input	The relaxationFactor, used when UseRelaxation is ticked. Values limits: 0.001 < RelaxationFactor < 5.
Settings		If the user clicks on this button, the all the target solver settings will be reset to their default values.
Solver Options
UseSysCADSolver	Tickbox	Only visible when OpMode = "Enthalpy CHEMAPP" or "PhaseFormation". Whether to use internal SysCAD solver or internal solver of ChemAppEngine.
ChemApp Environmental Heat Transfer
ChemApp.HeatLossMethod	None	No heat transfer between the unit and the environment.
	Fixed HeatFlow	The user specifies a fixed heat loss between the unit and the environment.
	Ambient	SysCAD calculates the overall heat loss based on user specified HTC and Area and the temperature difference between the Feed and environmental temperatures. The environmental temperature is assumed to remain constant.
ChemApp.EHX.HeatLossReqd	Input	Visible when the HeatLossMethod = Fixed HeatFlow. The required heat loss.
ChemApp.EHX.HTC	Input	Visible when the HeatLossMethod = Ambient. The Overall Heat Transfer coefficient.
ChemApp.EHX.Area	Input	Visible when the HeatLossMethod = Ambient. The Heat Transfer area.
ChemApp.EHX.AmbientT	Display	Visible when the HeatLossMethod = Ambient. The ambient temperature. The ambient temperature is specified in the Plant Model - Environment_Tab
ChemApp.EHX.HeatLoss	Calc	Visible when the HeatLossMethod = Ambient. The calculated heat flowrate.
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.
ChemModel.Selected	Display	The tag of the relevant ChemApp Model Configuration unit model.
Check		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.
UseSysCADVLE / VLE.On	Tickbox	This can be used to switch on the SysCAD Vapour Liquid Equilibrium (VLE) calculator. If this is 'On' then the associated page, VLE becomes visible and may be configured.
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.
ShowRxnDiff	Tickbox	If this is ticked, then the Diff tab page will appear. This tab shows the mass movement of each species, positive value indicates the species has been created.
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 after a calculation has been successfully performed. If this is ticked, then the ParamSweep tab page will appear.
DebugMode	Tickbox	Allows the user to use the debug mode of ChemApp. When this mode is enabled, a log file will be written to showing the stream inputs seen by ChemApp and calculation results generated by ChemApp.
DebugErrorFile		Only visible when DebugMode is ticked. Opens the error debug file that was just written to by the unit operation.
DebugMessageFile		Only visible when DebugMode is ticked. Opens the message debug file that was just written to by the unit operation.
Calculate		Click on this button to perform a calculation to determine the conditions of the final solution, including enthalpy, based on the specified operating conditions.

DInput tab page

This tab is used to define the Inputs for the ChemApp calculation, including the composition in terms of ChemApp species. It also includes a button to perform calculations.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
PasteFromClipboard		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.
Transfer		Click on this button to transfer the inputs specified on the DInput tab page to the Input tab page.
StreamView		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.
Temperature / T	Input	The required temperature of the aqueous solution.
Pressure / P	Input	The required pressure of the aqueous solution.
DFeed...
SpeciesName		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.
(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 first 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.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Constrained Free Energy (CFE) Configuration
CFE...
SpeciesName		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		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, ie. 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

In Build 138, this page was called Results.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
ChemApp Calculation Results Summary
Feed Massflow Summary
Unmapped.MassFlow / Qm	Display	The mass flow of material in the feed which is not mapped to a species.
ChemApp.Feed.MassFlow / Qm	Display	The mass flow of material in the feed to the ChemApp calculation.
ChemApp.MdlBlk.Feed / Feed.MassFlow / Qm	Display	The total feed mass flow to the ChemApp model block.
Stream Properties Summary
Prod...
Temperature / T	Display	The Temperature of the final solution.
Pressure / P	Display	The Pressure of the final solution.
Enthalpy / TotHf@T	Display	The Enthalpy of the final solution.
FreeEnergy / Gf@T	Display	The Free Energy of the final solution.
Entropy	Display	The entropy of the final solution.
Feed...
Feed Phase Flowrate Summary
PhaseZeros		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.
(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
PhaseZeros		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.
(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.
Energy Balance
ChemApp.HeatFlow	Display
Bypass.HeatFlow	Display
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.
Summary...
Calculation Summary
LastCalcType	Display	This displays the type of calculation (OpMode) used for the last calculation.
LastCalcTime	Display	The amount of time taken to calculate the last set of conditions.
Remove		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.
Enthalpy / TotHf@T	Display	The Enthalpy of the feed solution. This is calculated by ChemApp.
FreeEnergy / Gf@T	Display	The Free Energy of the feed solution.
Entropy	Display	The entropy of the feed solution.
Feed...
SpeciesName		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		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		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	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		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 (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 using the SysCAD enthalpy context.
Pressure / P	Display	The Pressure of the product solution.
Enthalpy / TotHf@T	Display	The Enthalpy of the product solution. This is calculated by ChemApp.
FreeEnergy / Gf@T	Display	The Free Energy of the product solution.
Entropy	Display	The entropy of the product solution.
Prod...
SpeciesName		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		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		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	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		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 (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 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.
ActivityCoeff	Display	Only shown for liquid/aqueous or solid species. The activity coefficient 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. This is calculated using the SysCAD enthalpy context.
Pressure / P	Display	The Pressure difference between the feed and product solutions.
Enthalpy / TotHf@T	Display	The Enthalpy difference between the feed and product solutions. This is calculated by ChemApp.
FreeEnergy / Gf@T	Display	The Free Energy difference between the feed and product solutions.
Entropy	Display	The entropy difference between the feed and product solutions.
Diff...
SpeciesName		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		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		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	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		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 (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.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
ElemBal...
Tol.SigDigits	Input
Tol.Rel	Input
ChemApp...
ElementBalanceView		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		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.
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.

PhDeport tab page

Named Deportment in Build 138. 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		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		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

Named IDeportment in Build 138. 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		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		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.

ParamSweep tab page

This tab is only visible if ShowPlotter is ticked. In Build 139 or later, this option is only shown if a calculation has been successfully performed.

This tab allows the user to perform multiple calculations to generate a set of data. The data can be copied and pasted into external programs such as Excel to allow the data to be plotted and analysed.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Use tools on this page to generate tabular data on clipboard from parameter sweep
ParamSweep...
Method	AdjustT	The chosen independent variable is Temperature.
	AdjustQMl	The chosen independent variable is flow of an individual species.
MinTemperature / MinT	Input	Only visible if Method = AdjustT. The minimum temperature of the final solution in the data set.
MaxTemperature / MaxT	Input	Only visible if Method = AdjustT. The maximum temperature of the final solution in the data set.
SelPhase...
Contains	Input	Only visible if Method = AdjustQMl. Allows user to optionally shorten the Phase Selection list (SelPhase) by entering in some letters from the desired phase.
SelPhase	List	Only visible if Method = AdjustQMl. List of available phases to choose from. The list will not show all phases if user has entered some letters in the Contains field above.
SelSp...
Contains	Input	Only visible if Method = AdjustQMl. Allows user to optionally shorten the Species Selection list (TargetSpAdjust) by entering in some letters from the desired species.
TargSpAdjust	List	Only visible if Method = AdjustQMl. The user can select a single species from the list of all species in the ChemApp database to have its flow varied. The list will be limited to those in the selected phase (SelPhase) and will not show all species if user has entered some letters in the Contains field above.
MoleBasis	Tickbox	Only visible if Method = AdjustQMl. If this box is ticked, user specifies the minimum and maximum mole flow of selected species. If this is not ticked, user can specify these flows in terms of mass flow.
MinSpMassFlow / MinSpQm / QmMin	Input	Only visible if Method = AdjustQMl and MoleBasis is not ticked. The minimum mass flow of the selected species in the final solution.
MaxSpMassFlow / MaxSpQm / QmMax	Input	Only visible if Method = AdjustQMl and MoleBasis is not ticked. The maximum mass flow of the selected species in the final solution.
MinSpMoleFlow / MinSpQMl / QMlMin	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The minimum mole flow of the selected species in the final solution.
MaxSpMoleFlow / MaxSpQMl / QMlMax	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The maximum mole flow of the selected species in the final solution.
StepSize	Input	The step size between each data point. If the user changes this value, then SysCAD will automatically adjust DataPoints (Below). (=(Max-Min)/(DataPoints-1))
DataPoints	Input	The number of calculations to perform/rows of data to generate. If the user changes this value, then SysCAD will automatically adjust StepSize (Above). (=(Max-Min)/StepSize + 1)
IndVarRanges		If the user clicks on this button, the inputs for the independent variable limits will be reset to their default values. (Applied to the temperature option only).
PlotDataCreate		If the user clicks on this button, SysCAD will perform the requested calculations based on the chosen parameters, to generate the required data.
PlotDataTable		If the user clicks on this button, SysCAD will perform the requested calculations based on the chosen parameters, to generate the required data. SysCAD will also copy the generated data to the clipboard, allowing it to be pasted into an external program such as MS Excel.
Select Dependent Variables for Output
SelectSpecies / SelectSp	Tickbox	Allows the user to select species to be reported. If this option is enabled, the SpForPlot tab will appear.
ShowActCoeff / ShowAC	Tickbox	Only visible if the SelectSp option is available. If this option is enabled, the activity coefficients of the species selected on the SpForPlot tab will be reported.
HideZeros	Tickbox	Only visible if the SelectSp option is available. If this option is enabled, the outputted table will be filtered so that only species which have a non-zero value in any of the calculations in the sweep will be shown in the table.
SelectedSpCount	Display	Only visible if the SelectSp option is available. The number of species selected on the SpForPlot tab.
Select Properties For Output
PropertiesCount / PropsCount	Input	The number of properties to be included in the reported data set.
PropX	List	The property to be reported from the list of available properties. Note: This field is only visible if the entry for NumPropsForOutput is greater then 0. If there is one property then X=1. If there are two properties, then X=1 and X=2, etc.

SpForPlot tab page

This tab is only visible if the SelectSp option is enabled on the ParamSweep tab. It allows the user to select which species to be reported in the sets of data to be generated.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
SpForPlot...
SpeciesName		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.
SelectVisible		User can select all the species which are currently visible in the access window. The ones that are visible may be limited by use of the Filter (see options below).
UnselectVisible		User can unselect all the species which are currently visible in the access window. The ones that are visible may be limited by use of the Filter (see options below).
Filter View
Filter		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 select any number of species.) (Each table has the following column (one row per ChemApp species):)
Select	Tickbox	The properties (selected on the ParamSweep tab) of the selected species will be reported when the Generate function (ParamSweep tab) is used.
SetAll...(displayed at the end of each phase)
SelectAll		User can select all the species in the relevant phase.
UnselectAll		User can unselect all the species in the relevant phase.

TargCalc tab page

Only available in Build 138. In Build 139 or later, these parameters have been moved to the ChemAppDirectCalc tab page. This tab allows the user to control the outcome of the ChemApp calculation.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Target Calculation
OpMode...
OpMode	Temperature	The target variable is the Temperature of the final solution.
	Enthalpy CHEMAPP	The target variable is the Enthalpy of the final solution. ChemApp Enthalpy is maintained.
	PhaseFormation	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.
TemperatureReqd / T_Reqd	Input	Only visible if OpMode = Temperature. The user specified target temperature for the final solution.
dEnth.Reqd / dH.Reqd	Input	Only visible if OpMode = Enthalpy. The user specified target duty.
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.
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.
Detailed	Tickbox	If enabled, displays additional parameters for the user to specify as explained in the AdjustVar section below.
Environmental Heat Transfer
HeatLossMethod	None	No heat transfer between the unit and the environment.
	Fixed HeatFlow	The user specifies a fixed heat loss between the unit and the environment.
	Ambient	SysCAD calculates the overall heat loss based on user specified HTC and Area and the temperature difference between the Feed and environmental temperatures. The environmental temperature is assumed to remain constant.
EHX.HeatLossReqd	Input	Visible when the HeatLossMethod = Fixed HeatFlow. The required heat loss.
EHX.HTC	Input	Visible when the HeatLossMethod = Ambient. The Overall Heat Transfer coefficient.
EHX.Area	Input	Visible when the HeatLossMethod = Ambient. The Heat Transfer area.
EHX.AmbientT	Display	Visible when the HeatLossMethod = Ambient. The ambient temperature. The ambient temperature is specified in the Plant Model - Environment_Tab
EHX.HeatLoss	Calc	Visible when the HeatLossMethod = Ambient. The calculated heat flowrate.
(The following section is only displayed if the Detailed option has been enabled)
AdjustVar...
Method	AdjustT	The chosen independent variable for adjustment is Temperature.
	AdjustQMl	The chosen independent variable is flow of an individual species.
InitTemperature / InitT	Input	Only visible if Method = AdjustT. The initial guess to be used for the temperature of the final solution.
MaxTemperature / MaxT	Input	Only visible if Method = AdjustT. The maximum temperature of the final solution.
TargSpAdjust	List	Only visible if Method = AdjustQMl. The user can select a single species to have limits imposed from the list of all species in the ChemApp database.
MoleBasis	Tickbox	Only visible if Method = AdjustQMl. If this box is ticked, user specifies the minimum and maximum mole flow of selected species. If this is not ticked, user can specify these flows in terms of mass flow.
MinSpMassFlow / MinSpQm	Input	Only visible if Method = AdjustQMl and MoleBasis is not ticked. The minimum mass flow of the selected species in the final solution.
MaxSpMassFlow / MaxSpQm	Input	Only visible if Method = AdjustQMl and MoleBasis is not ticked. The maximum mass flow of the selected species in the final solution.
MinSpMoleFlow / MinSpQMl	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The minimum mole flow of the selected species in the final solution.
MaxSpMoleFlow / MaxSpQMl	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The maximum mole flow of the selected species in the final solution.
TargCalc...
UseRelaxation	Tickbox
RelaxationFactor	Input	The relaxationFactor, used when UseRelaxation is ticked. Values limits: 0.001 < RelaxationFactor < 5.
Settings		If the user clicks on this button, the all the target solver settings will be reset to their default values.
Solve		If the user clicks on this button, SysCAD will perform the Direct Calculation based on the chosen parameters.
Solver Options
UseSysCADSolver	Tickbox	Only visible when OpMode = "Enthalpy CHEMAPP" or "PhaseFormation". Whether to use internal SysCAD solver or internal solver of ChemAppEngine.

Adding this Model to a Project

Insert into Configuration file

Sort either by DLL or Group.

	DLL:	ScdChemApp.dll	→	Units/Links	→	ChemApp: ChemApp DirectCalc
or	Group:	General	→	Units/Links	→	ChemApp: ChemApp DirectCalc

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

Insert into Project

Insert Unit

→

ChemApp

→

ChemApp DirectCalc

See Insert Unit for general information on inserting units.