ChemApp Side Calc

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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

Formally released as part of Build 139 (first available as BETA version in Build 138). The ChemApp SysCAD TCE option and models documentation is for the latest version of SysCAD.

General Description

The ChemApp Side Calc model allows the user to 'call' the ChemApp solver to determine the state of a defined SysCAD stream/s. The user defines the SysCAD stream/s of interest, and the unit will then determine the equilibrium conditions of the resulting stream at the user defined conditions such as temperature or enthalpy. This is similar to the use of the ChemApp Reactor using the Side Calc model option.

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 a stream.

Notes

The user MUST have added and configured a ChemApp Model Configuration unit in the SysCAD project before this unit can function.
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 Side Calc unit model. For side calculations with multiple incoming streams and containers, the combined stream pressure will be set to the lowest pressure of the incoming streams or containers that contain a flow or mass, respectively.

Inputs and Outputs

There are no connections to this unit.

Model Theory

The ChemApp Side Calc Model uses the ChemApp algorithms and data to determine the status of the defined stream/s.

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

The ChemApp Side Calc model allows the user to 'call' the ChemApp solver to determine the state of a defined SysCAD stream/s. The model has no links to any other models in SysCAD.

User defines the stream/s to be analysed by the ChemApp Side Calc model.
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.
The ChemApp Side Calc calls the ChemApp algorithms to determine the status of the mixture using the converted ChemApp "input" data.
The ChemApp results are displayed in the "output" tab using ChemApp species.
- The results are NOT converted into SysCAD species.

NOTES:

The side calculation mixed feed stream pressure is calculated as the minimum pressure of all incoming streams.
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:

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 side calculation.
On the ChemAppSideCalc tab page, type in the name of the SysCAD stream/s or content you wish to evaluate (e.g.: P_001.Qo OR TNK_001.QFeed). In Build 139 or later, multiple streams with multipliers can be specified.
Choose when to perform the calculation.
On the TCE tab page, select the correct ChemModel (to match step 1) (Note: In older builds, this selection was made on the ChemAppSideCalc tab page).
Choose the Target Calculation OpMode and fill in the required information based on the mode selection. (Note: In older builds, these selections were made on the ChemAppSideCalc tab page).
Perform an equilibrium calculation by pressing the "Calculate" button on the ChemAppSideCalc tab page or pressing Solve in SysCAD.
The Results are displayed on the ChemAppResults and Output tabs.

Suggestions on how to use the results:

The ChemApp Side Calc results can be used to assist with the configuration of with a SysCAD unit, normally with Reactions sub-model switched on. Based on the results of the ChemApp Side Calc, the reaction and reaction extents can be configured to match results from the ChemApp Side Calc. The user can use the Set Tag Controller to transfer ChemApp Side Calc results to the SysCAD unit reaction block.

Data Sections

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

ChemAppSideCalc tab - This first tab allows the user to choose the desired SysCAD stream/s and set some general options.
TCE tab - This tab allows the user to choose the corresponding ChemApp Model Configuration unit and set other TCE options.
QFeed - Optional tab, only visible if ShowQFeed is enabled on the first tab page.
CFE - Optional tab, only visible if the UseCFE option is enabled on the TCE tab page.
Bypass - Optional tab, only visible if the WithBypass option is enabled on the TCE tab page.
RxnBypass - Optional tab, only visible if the WithBypass option is enabled on the TCE tab page.
ChemAppResults tab - This tab displays the key results of the calculations.
Input tab - This tab displays a summary of the mapped Input stream as ChemApp species.
Output tab - This tab displays the Output stream results including the amounts of each ChemApp species present in the final mixture.
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.
ElemBal tab - This tab displays an elemental balance between the Input and Output streams.
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.
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 individual ChemApp phases.
UnitTag.ParamSweep tab - Optional tab, only visible if the ShowPlotter option is enabled on the TCE tab page. This tab allows the user to generate sets of data.
SpForPlot tab - Optional tab, only visible if the SelectSp option is enabled on the UnitTag.ParamSweep tab. This tab allows the user to select which species to be reported in the sets of data to be generated.
QUnmapped - Optional tab, only visible if ShowQUnmapped is enabled on the TCE tab page.
QRxnUnmapped - Optional tab, only visible if ShowQRxnUnmapped is enabled on the TCE tab page.
QBypass - Optional tab, only visible if ShowQBypass is enabled on the TCE tab page.
QRxnBypass - Optional tab, only visible if ShowQRxnBypass is enabled on the TCE tab page.
QProd - Optional tab, only visible if ShowQProd is enabled on the first tab page.
Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.

ChemAppSideCalc tab page

Unit Type: ChemAppSideCalc - 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 UnitType or SubClass.
Requirements
On	Tickbox	If this option is deselected, the ChemApp SideCalc model will not be operational and thus no calculations will be performed.
Pressure / P	Input	The pressure at which the ChemApp side calculation is to be performed at.
StreamCount	Input	The number of SysCAD streams to be combined together prior to performing the ChemApp side calculation. For each stream, the StreamTag and Multiplier will need to be specified.
ContainerCount	Input	Only available in a dynamic project. The number of SysCAD contents to be combined together prior to performing the ChemApp side calculation. For each content, the ContainerTag and Multiplier will need to be specified.
StreamX.SourceTag	Input	Not displayed if StreamCount=0. For stream X, the tag of the stream that the user wants to perform a ChemApp side calculation on. The format is: [Unit Operation Tag Name].[Tab Page Name] Examples: XPG_1.QProd, P_1.Qo, X_1.QProd, TNK_1.QFeed
StreamX.Ratio	Input	Not displayed if StreamCount=0. For stream X, the ratio to be applied to the mass flow of the stream prior to performing the ChemApp side calculation. This is particularly important when mixing several streams prior to performing the ChemApp side calculation.
StreamX.Phase	Not displayed if StreamCount=0.
	All	The full contents of stream X will be part of the ChemApp side calculation.
	Gas	Only the gaseous phase of stream X will be part of the ChemApp side calculation.
	Liq	Only the liquid phase of stream X will be part of the ChemApp side calculation.
	Sol	Only the solid phase of stream X will be part of the ChemApp side calculation.
	SL	Only the solid and liquid phases of stream X will be part of the ChemApp side calculation.
	SG	Only the solid and gaseous phases of stream X will be part of the ChemApp side calculation.
	LG	Only the liquid and gaseous phases of stream X will be part of the ChemApp side calculation.
ContainerX.SourceTag	Input	Only available in a dynamic project. Not displayed if ContainerCount=0. The tag of the content that the user wants to perform a ChemApp side calculation on. The format is: [Unit Operation Tag Name].[Tab Page Name] Examples: TNK_001.Content
ContainerX.Ratio	Input	Only available in a dynamic project. Not displayed if ContainerCount=0. For content X, the ratio to be applied to the mass of the content prior to performing the ChemApp side calculation. This is particularly important when mixing several contents or streams prior to performing the ChemApp side calculation.
ContainerX.Phase	Only available in a dynamic project. Not displayed if ContainerCount=0.
	All	The full contents of content X will be part of the ChemApp side calculation.
	Gas	Only the gaseous phase of content X will be part of the ChemApp side calculation.
	Liq	Only the liquid phase of content X will be part of the ChemApp side calculation.
	Sol	Only the solid phase of content X will be part of the ChemApp side calculation.
	SL	Only the solid and liquid phases of content X will be part of the ChemApp side calculation.
	SG	Only the solid and gaseous phases of content X will be part of the ChemApp side calculation.
	LG	Only the liquid and gaseous phases of content X will be part of the ChemApp side calculation.
Drain.Mode	Only available in a dynamic project. Not displayed if ContainerCount=0.
	MatchToStep	Drain time is equal to the step size of the project. For example, a content containing 10 tonnes of material (after ratios and phase selections have been applied), with a project Step Size of 2 hours, would result in stream of 5 t/h of material being evaluated by the ChemApp solver.
	Normalised	Flow of material from all contents is set to 1 kg/s (3.6 t/h). Note this is after ratios are applied.
	DrainTime	User can specify the drain time to be used, see Drain.Time below.
	DrainRate	User can specify the drain rate, see Drain.MassFlow below.
Drain.Time	Input	Only available in a dynamic project and if Drain.Mode = DrainTime. The time parameter used to convert the content information into a stream (as required by ChemApp). For example, a content containing 10 tonnes of material (after ratios and phase selections have been applied), with a Drain.Time of 2 hours, would result in stream of 5 t/h of material being evaluated by the ChemApp solver.
Drain.MassFlow / Qm	Input	Only available in a dynamic project and if Drain.Mode = DrainRate. The flow of material from all contents is set to this value. Note this is after ratios are applied.
CheckTags		If the user clicks on this button, SysCAD will check that the SourceTag values are valid tags.
CalcWhen	Manual	The side calculation will only be performed if the user presses the Calculate button.
	Each Iter	The side calculation will be performed at the end of each iteration during the model run.
	Each N Iters	The side calculation will be performed at the end of each N iterations during the model run.
	OnStop	The side calculation will be performed once at the end of the run when the model is stopped.
ItersBetweenCalc	Input	Only available if CalcWhen = Each N Iters. The number of iterations between calculations.
Calculate		Click on this button to perform the side calculation to determine the conditions of the final solution, based on the specified target value.
Options
ShowQFeed	Tickbox	Allows the user to view the QFeed and associated tab pages, showing the properties of the combined feed stream. See Material Flow Section. This will be prior to the ChemApp calculations.
ShowQProd	Tickbox	Only available if Model is set to Reactor. Allows the user to view the QProd and associated tab pages, showing the properties of the products. See Material Flow Section. This will be after the ChemApp calculations have been applied.

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		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
FwdSpMap.UnmappedAction	Stop Solver	Any unmapped SysCAD species will cause the solver to stop, user will need to fix the species mapping before solving again.
FwdSpMap.UnmappedAction	Bypass	Any unmapped SysCAD species will be bypassed, i.e. will not be present in the ChemApp input
The following fields are only visible if Model = Reactor
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.
	Side Calc	The results from the ChemApp calculation will be displayed but will not be applied to the output stream (input composition = output composition).
	Reactor	The results from the ChemApp calculation will be applied to the QProd stream of the side calculation via reverse mapping. The results are for display only and can be viewed by selecting ShowQProd on the ChemAppSideCalc Tab Page.
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.
WithBypass	Tickbox	If this is ticked, then the Bypass tab page will appear.
Select dependent variable and target value
OpMode...
OpMode	Temperature	The target variable is the Temperature of the final solution.
	FeedT	The target variable is the Temperature of the feed solution.
	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.
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 CHEMAPP. The user specified target duty.
CalcEnthalpy	Tickbox	Visible when OpMode ≠ Enthalpy CHEMAPP. If the calculation requires a heat balance, then this option should be selected. If heat balance is not required, untick this option to save on computation time. Note: unticking this option will also remove the enthalpy display from the Input and Output tabs.
SelPhase... (only visible if OpMode = PhaseFormation or PhasePrecipitation)
Filter	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 Filter 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.
Phase.MassFlowReqd / Phase.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.
Phase.MoleFlowReqd / Phase.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		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.
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.
Options
ShowQUnmapped	Tickbox	Allows the user to view the QUnmapped and associated tab pages. See Material Flow Section. This is the SysCAD species flows which are not mapped to ChemApp species, and therefore are not taken into account in the ChemApp calculation.
ShowQRxnUnmapped	Tickbox	Allows the user to view the QRExnUnmapped and associated tab pages. See Material Flow Section.
ShowQBypass	Tickbox	Only visible when WithBypass is ticked. Allows the user to view the QBypass and associated tab pages. See Material Flow Section. This is the SysCAD species flows which bypass the ChemApp calculation.
ShowQRxnBypass	Tickbox	Only visible when WithBypass is ticked. Allows the user to view the QRxnBypass and associated tab pages. See Material Flow Section.
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.
DebugMode	Tickbox	Allows the user to using 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. All results in log file are in a per second time basis, i.e. kJ = kW, MJ = MW, etc.
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.

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		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, 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).

Bypass tab page

This tab is only visible if the WithBypass option is enabled on the TCE tab page. This will allow some or all of the SysCAD species to bypass the thermodynamic engine calculations.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Specify Bypass of Feed
BypassMode	Species	A bypass fraction can be set for each species in the project.
BypassMode	Phases	A bypass fraction can be set for each phase (Solid, Liquid or Vapour) in the project.
BypassUnmapped		If this button is pressed then the bypass fraction for all Unmapped Species will be set to 100%. This is only relevant if BypassMode = Species. NOTE: There is no automatic undo for this function. It is recommended to bypass all species in the SysCAD model which are not present in the ChemApp model you are using.
ShowUnmappedSpecies	Tickbox	If ticked, all the unmapped species will be displayed in a list immediately under this field.
BypassSpCount	Calc	The number of species to be bypassed.
PhaseBypass... (only displayed if BypassMode = Phases)
PhaseBypass.Solid.MF	Input	Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD solid species. A non-zero value will allow some or all (100%) of the SysCAD solid species to bypass the thermodynamic engine calculations.
PhaseBypass.Liquid.MF	Input	Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD liquid species. A non-zero value will allow some or all (100%) of the SysCAD liquid species to bypass the thermodynamic engine calculations.
PhaseBypass.Vapour.MF	Input	Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD vapour species. A non-zero value will allow some or all (100%) of the SysCAD vapour species to bypass the thermodynamic engine calculations.
The remaining fields are only displayed if BypassMode = Species)
On		This button will enable or disable the species filter options.
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.
GroupValue	Input	The user specified bypass value that will be used for all species displayed when the Set to GroupValue button is pressed.
SetVisible		When pressed, this button will set the bypass parameter for all species currently displayed (based on Filter settings) equal to the GroupValue.
SysCAD Feed Stream Bypass
(The following table displays all the SysCAD species in the project (unless restricted by the Filter settings). The table has the following column (one row per SysCAD species):)
Bypass.XXX	Input	The user specified Bypass fraction for SysCAD species XXX. A non-zero value will allow some or all (100%) of the SysCAD species to bypass the thermodynamic engine calculations.

RxnBypass tab page

This tab is only visible if the WithBypass option is enabled on the TCE tab page. This will allow some or all of the SysCAD species to bypass the thermodynamic engine calculations.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Specify Bypass during Solver Solution
RxnBypass...
BypassMode	Species	A bypass fraction can be set for each species in the project.
BypassMode	Phases	A bypass fraction can be set for each phase (Solid, Liquid or Vapour) in the project.
BypassUnmapped		If this button is pressed then the bypass fraction for all Unmapped Species will be set to 100%. This is only relevant if BypassMode = Species. NOTE: There is no automatic undo for this function. It is recommended to bypass all species in the SysCAD model which are not present in the ChemApp model you are using.
ShowUnmappedSpecies	Tickbox	If ticked, all the unmapped species will be displayed in a list immediately under this field.
BypassSpCount	Calc	The number of species to be bypassed.
PhaseBypass... (only displayed if BypassMode = Phases)
PhaseBypass.Solid.MF	Input	Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD solid species. A non-zero value will allow some or all (100%) of the SysCAD solid species to bypass the thermodynamic engine calculations.
PhaseBypass.Liquid.MF	Input	Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD liquid species. A non-zero value will allow some or all (100%) of the SysCAD liquid species to bypass the thermodynamic engine calculations.
PhaseBypass.Vapour.MF	Input	Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD vapour species. A non-zero value will allow some or all (100%) of the SysCAD vapour species to bypass the thermodynamic engine calculations.
The remaining fields are only displayed if BypassMode = Species)
On		This button will enable or disable the species filter options.
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.
GroupValue	Input	The user specified bypass value that will be used for all species displayed when the Set to GroupValue button is pressed.
SetVisible		When pressed, this button will set the bypass parameter for all species currently displayed (based on Filter settings) equal to the GroupValue.
SysCAD Feed Stream Bypass
(The following table displays all the SysCAD species in the project (unless restricted by the Filter settings). The table has the following column (one row per SysCAD species):)
Bypass.XXX	Input	The user specified Bypass fraction for SysCAD species XXX. A non-zero value will allow some or all (100%) of the SysCAD species to bypass the thermodynamic engine calculations.

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
Bypass.MassFlow / Qm	Display	The mass flow of material in the feed which bypasses the calculation due to user selection of bypass species. Use show ShowQBypass to view full stream.
Unmapped.MassFlow / Qm	Display	The mass flow of material in the feed which is not forward mapped to a species and therefore bypasses the calculation. Use show ShowQUnmapped to view full stream.
ChemApp.Feed.MassFlow / Qm	Display	The mass flow of material in the feed to the ChemApp calculation. Same value as tag Feed.Qm.
TotalFeed.MassFlow / Qm	Display	The total feed mass to the ChemApp model block. Sum of bypasses and feed to ChemApp calculation.
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.
RxnBypass.MassFlow / Qm	Display	The mass flow of material for
RxnUnmapped.MassFlow / Qm	Display	The mass flow of material in the prod which is not reverse mapped to SysCAD species.
TotalProd.MassFlow / Qm	Display	The total product mass for the ChemApp model block. Sum of bypasses and product of ChemApp calculation.
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		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.
Forward Mapping Summary
FwdMap.ScdFeed	Display	This displays mass and SysCAD enthalpy of the feed stream to ChemApp before mapping and after bypass and unmapped are removed.
FwdMap	Display	This displays mass and ChemApp enthalpy of the Input stream to ChemApp after forward mapping. The enthalpy of the FwdMap stream and the FwdMap.ScdFeed 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.
FwdMap.Diff	Display	This displays the difference in mass and enthalpy between the feed stream and Input stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data.
FwdMap.RelDiff	Display	This displays the relative difference in mass and enthalpy between the feed stream and Input stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data.
Reverse Mapping Summary (Only visible if Model = Reactor on the TCE Tab Page)
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		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		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		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 {{{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		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 {{{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		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 {{{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		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. 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		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

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 and the model has been successfully run.

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.
Method	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... (only visible if Method = AdjustQMl)
Filter	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.
PhaseFilter	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 Filter field above.
SelSp... (only visible if Method = AdjustQMl)
Filter	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 Filter 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 / 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 / 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 / QMlMin	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The minimum mole flow of the selected species in the final solution.
MaxSpMoleFlow / QMlMax	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The maximum mole flow of the selected species in the final solution.
Prod.T	Input	The required temperature of the product stream.
Prod.P	Input	The required pressure of the product stream.
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 enabled. 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 enabled. 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.
ResultsType	(only visible if the SelectSp option is enabled)
	Flow	The results generated will include the flows of the selected species in the final product stream.
	Frac	The results generated will include the overall fractions of the selected species in the final product stream.
	PhaseFrac	The results generated will include the phase fractions of the selected species in the final product stream.
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.

Adding this Model to a Project

Insert into Configuration file

Sort either by DLL or Group.

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

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

Insert into Project

Insert Unit

→

TCE ChemApp

→

ChemApp SideCalc

See Insert Unit for general information on inserting units.

ChemApp Side Calc

Contents