AQSol Reactor

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AQSol Overview	AQSol Database Utility	AQSol Model Configuration	AQSol Direct Calc	AQSol Side Calc	AQSol Reactor	AQSol Evaporator	AQSol Flash Tank	AQSol Reverse Osmosis	AQSol Feeder

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

Related Links: AQSol SysCAD Project Workflow

Formally released as part of Build 139.30140 (first available as BETA version in Build 138). The AQSol SysCAD TCE option and models documentation is for the latest version of SysCAD.

General Description

The AQSol Reactor model allows the user to 'call' the AQSol solver to determine the state of a SysCAD stream. The composition, temperature and pressure of the 'Feed' stream are based on the feed to the unit. The unit will then determine the equilibrium conditions of the resulting stream.

The results can be applied to the product stream or just performed as a side calculation (similar to use of the AQSol Side Calc Model).

Notes

The user MUST have added and configured a AQSol Model Configuration unit in the SysCAD project before this unit can function.
The user MUST have installed a version of AQSol on their computer to make use of the AQSol functionality in SysCAD. Please see www.phasediagram.dk for more information.

Diagram

The diagram shows a drawing of the AQSol Reactor unit, with Feed, Product and Vent streams. When the user inserts the AQSol Reactor unit into a flowsheet, a different graphics symbol can be selected from a pull down menu. The streams may be connected to any area of the drawing without affecting the actual connection point as SysCAD ignores the physical position of the connection. For reactors with multiple incoming streams, the combined stream pressure will be set to the lowest pressure of the incoming streams that contain a flow.

Inputs and Outputs

Label	Required / Optional	Input / Output	Number of Connections		Description
Label	Required / Optional	Input / Output	Min	Max	Description
Feed	1 Required	Input	1	10	Feed stream/s.
Product	Required	Output	1	1	Product stream.
Vent	Optional	Output	0	1	Vent Stream (Vapour Only).

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

Model Theory

The AQSol Reactor Model uses the AQSol algorithms and data to determine the status of the aqueous solution.

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

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

User connects the AQSol Reactor with SysCAD input streams,
The SysCAD feed stream(s) using SysCAD species is converted into AQSol "Input" using AQSol Species. The species mapping is defined in the corresponding AQSol Model Configuration unit model.
The AQSol Reactor calls the AQSol algorithms to determine the status of the mixture using the converted AQSol "input" data.
The AQSol results are displayed in the "output" tab using AQSol species.
- If the AQSol Reactor is in Side Calc mode, the results are NOT converted into SysCAD species. (SysCAD stream outlet = sum of SysCAD inlet streams, no change will occur)
- If the AQSol Reactor is in Reactor mode, then the results are converted back into SysCAD species. Please see Species Mapping for more information.

NOTES:

The Input, Output and Diff tab pages are displayed using AQSol species, as defined in the AQSol DLL specified in the corresponding AQSol 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 AQSol directly, except the contents of the SysCAD stream are mapped to equivalent AQSol species using the settings defined in the AQSol Model Configuration unit model. Please see www.phasediagram.dk for more information.

Important note on energy balance: The Reactor feed enthalpy in the AQSol context is determined from the equilibrium composition of the Reactor feed as calculated by AQSol at the SysCAD stream temperature and pressure. If one or more of the SysCAD streams feeding the AQSol Reactor are far from equilibrium and will generate significant heat upon reaction (e.g. a stream containing unreacted HCl and NaOH, for example), the AQSol calculated heat of reaction will be incorrect. In this case, the unreacted species should be reacted prior to feeding them to the AQSol Reactor. Ensure that both the AQSol and SysCAD energy balances are reasonable. See TCE Enthalpy Reporting for more details.

WorkFlow

The suggested workflow for configuring the model is:

Make sure the project contains at least one of the AQSol Model Configuration model, and the model is loaded with the correct AQSol database you would like to use for the AQSol Reactor.
On the AQSolReactor tab page, set the operating pressure and Vent.SolidsMethod (and any other sub-models).
On the TCE tab page, select the correct ChemModel (to match step 1) (Note: In older builds, this selection was made on the AQSolReactor tab page).
Select the Model type and other options (Bypass, VLE, CFE).
Choose the Target Calculation OpMode and fill in the required information based on the operation mode selection.
Perform an equilibrium calculation by pressing Solve in SysCAD.
The Results are displayed in the AQSolResults and Output tabs.
Check and fix any species mapping issues. (AQSol resulting species may change if the operating conditions change, so it is likely a change of temperature or feed composition will result in different AQSol species.)

Data Sections

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

AQSolReactor tab - This first tab allows the user to set some general options.
MU - Optional tab, or multiple tabs if more than 1 Makeup is selected. Only visible if one of more Makeups are enabled in the Evaluation Block.
TCE tab - This tab allows the user to choose the corresponding AQSol Model Configuration unit and set other TCE options including to choice of model (Reactor or Side Calc).
QFeed - Optional tab, only visible if ShowQFeed is enabled on the first tab page.
QTCEFeed - Optional tab, only visible if ShowQTCEFeed is enabled on the first tab page.
VLE - Optional tab, only visible if Model = Reactor and the UseSysCADVLE/VLE.On 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.
AQSolResults tab - In Build 138, this is called Results. This tab displays the key results of the calculations.
Input tab - This tab displays a summary of the mapped Input stream as AQSol species.
Output tab - This tab displays the Output stream results including the amounts of each AQSol 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.
Scaling tab - Optional tab, only visible if the ShowScaling option is enabled on the TCE tab.
AQSolProps tab - This tab returns the AQSol calculated properties.
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 - Only available in Build 139 or later. Optional tab, only visible if the IPhaseElemDeportment option is enabled on the TCE tab page. This tab shows the movement of elements for individual AQSol 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.
Links tab, contains a summary table for all the input and output streams.
Audit tab - contains summary information required for Mass and Energy balance. See Model Examples for enthalpy calculation Examples.

AQSolReactor tab page

Unit Type: AQSolReactor - 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	This allows the user to disable the AQSol calculations, and the unit becomes a simple conduit with no calculations.
Vent.SolidsMethod	None	No solids will be sent to the Vent stream.
	Solids to Vent	The user can specify a fraction of the solids in the product to be sent to the Vent stream (if connected).
	Vent Solids Fraction	The user can specify the fraction of solids in the Vent stream (if connected).
SolidsToVent	Input	Only visible if Vent.SolidsMethod = Solids to Vent. The fraction of the solids in the product to be sent to the Vent stream (if connected).
Vent.SolidFracReqd	Input	Only visible if Vent.SolidsMethod = Vent Solids Fraction. The fraction of solids in the Vent stream (if connected).
OperatingP - NOTE: this pressure is applied to the (combined) feed, before sub-models (if any).
Method	AutoDetect	If there are any liquids AND no vapours present in the feed, outlet streams will take the highest pressure of the feeds. Else (e.g. some vapours present) outlet streams will take the lowest pressure of the feeds.
	LowestFeed	Outlet streams will take the lowest pressure of the feeds.
	HighestFeed	Outlet streams will take the highest pressure of the feeds.
	Atmospheric	Outlet streams will be at Atmospheric Pressure. The atmospheric pressure is calculated by SysCAD based on the user defined elevation (default elevation is at sea level = 101.325 kPa). The elevation can be changed on the Environment tab page of the Plant Model.
	RequiredP	Outlet streams will be at the user specified pressure.
IgnoreLowMassFlow / IgnoreLowQm	Tick Box	This option is only visible if the AutoDetect, LowestFeed or HighestFeed methods are chosen. When calculating the outlet pressure and temperature of the tank, SysCAD will ignore the low flow feed streams should this option be selected. The low flow limit is set in the field below.
LowMassFlowFrac / LowQmFrac	Input	This field is only visible if the IgnoreLowQm option is selected. This is the amount any stream contributes to the total flow. For example, if the total feed to the tank is 10 kg/s, and this field is set to 1%. Then any feed streams with less than 0.1 kg/s will be ignored in the pressure calculations.
PressureReqd / P_Reqd	Input	This field is only visible if the RequiredP method is chosen. This is user specified pressure.
Result	Calc	The actual pressure used for the sum of the feeds which will also be the outlet pressure (unless further model options change the pressure).
EB (Evaluation Block) ...
EvalSequence	Calc	The sequence in which the sub models (which are part of the evaluation blocks) will be calculated. The sequence is determined by the priority selection for the individual sub-models. Note: If the user chooses On-AutoSequence then SysCAD will determine the sequence of the sub-models. The sequence followed will be MU1, MU2, etc., RB.
Makeups	Input	The number of makeup blocks required. Extra dropdown options Makeup1, Makeup2, etc. will be added to allow these to be switched on.
MakeupX	List	This can be used to switch the Makeup Block (MU) on or off and prioritise it in relation to the other sub-models. If this is 'On' then the associated page, MUX becomes visible and may be configured. Note: This field is only visible if the entry for 'Makeups' is greater than 0. If there is one makeup then X=1. If there are two makeups, then X=1 and X=2, etc.
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 any sub-model (e.g. reactions) actions or AQSol calculations.
ShowQTCEFeed	Tickbox	Allows the user to view the QTCEFeed and associated tab pages, showing the properties of the combined feed stream before AQSol calculations. See Material Flow Section. This will be after the actions of any sub-models (e.g. reactions).
ShowQProd	Tickbox	Only visible if Model = Reactor on the TEC tab page. 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 actions of any sub-models and AQSol calculations.

TCE tab page

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
This program contains AQSol Copyright Aqueous Solutions Aps, Denmark
Chemistry Model
ChemModel...
UnitTag	List	The tag of the relevant AQSol Model Configuration unit model- this may be chosen from the drop down list of all AQSol Model Configuration unit models available in the project.
ModelCfgTagUsed/ModelCfgTag	Display	The tag of the relevant AQSol Model Configuration unit model.
Check		If the user clicks on this button, SysCAD will check that the UnitTag is a valid AQSol Model Configuration unit model.
ConnOK	Tickbox	If SysCAD finds a valid AQSol Model Configuration unit model, then this field will be enabled.
Status	OK	The specified chemistry model (AQSol 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 (AQSol 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 (AQSol Model Configuration) needs to be initialised.
	ChemModel Load Required	The database of the specified Chemistry Model (AQSol Model Configuration) needs to be loaded.
	DLL or Version Error	There is a problem with the AQSol DLL or version.
	Init Failed	Initialisation of the specified Chemistry Model (AQSol 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 AQSol input
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 AQSol calculation fails.
	Pause	The model will pause solving if the AQSol calculation fails.
	Stop	The model will stop solving if the AQSol calculation fails.
Requirements
Model	None (Off)	No calculations will be performed and input=output.
	Side Calc	The results from the AQSol calculation will be displayed but will not be applied to the output stream (input composition = output composition). This is similar to using the AQSol Side Calc Model.
	Reactor	The results from the AQSol calculation will be applied to the output stream, potentially affecting the composition and temperature/enthalpy of the stream.
UseSysCADVLE / VLE.On	Tickbox	Only visible if Model = Reactor. Allows user to switch on SysCAD VLE calculations. If ticked, then VLE tab will appear.
VLEModel	Display	Displays the VLE model used.
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	The target variable is the Enthalpy of the final solution.
	Enthalpy AQSol	The target variable is the Enthalpy of the final solution. AQSol Enthalpy is maintained.
	PhaseFormation	The target variable is the amount of a particular phase present in the final solution.
	SpeciesFormation	The target variable is the amount of a particular species present in the final solution.
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 or Enthalpy AQSol. The user specified target duty.
CalcEnthalpy	Tickbox	Visible when OpMode ≠ Enthalpy or Enthalpy AQSol. 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.
The following fields are only visible if OpMode = PhaseFormation
SelPhase...
Filter	Input	Filter by "contained" string. Allows user to optionally shorten the Phase Selection list (Phase) by entering in some letters from the desired phase.
Phase	List	The user can select one phase from the list of all phases in the AQSol database. The list will not show all phases if user has entered some letters in the Filter field above.
MoleBasis	Tickbox	Selecting this tickbox allows the 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 MoleBasis = unticked. The user specified mass flow of the chosen phase that is to be formed.
Phase.MoleFlowReqd / Phase.QMlReqd	Input	Only visible if MoleBasis = ticked. The user specified moles of the chosen phase that is to be formed.
The following fields are only visible if OpMode = SpeciesFormation
PhaseFilter....
Filter	Input	Filter by "contained" string. Allows user to optionally shorten the Phase Selection list (Phase) by entering in some letters from the desired phase.
Phase	List	The user can select one phase from the list of all phases in the AQSol database. The list will not show all phases if user has entered some letters in the Filter field above.
SpFilter....
Filter	Input	Filter by "contained" string. Allows user to optionally shorten the Species Selection list (Species) by entering in some letters from the desired species.
Species	List	The user can select one species from the list of all species in the AQSol database. The list will be limited to those in the selected phase (Phase) and will not show all species if user has entered some letters in the Filter field above.
MoleBasis	Tickbox	Selecting this tickbox allows the user to specify the target mole flow. If this is not selected, then mass flow is used.
Sp.MassFlowReqd / Sp.QmReqd	Input	Only visible if MoleBasis = unticked. The user specified mass flow of the chosen phase/species that is to be formed.
Sp.MoleFlowReqd / Sp.QMlReqd	Input	Only visible if 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.
AQSol Environmental Heat Transfer
AQSol.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.
AQSol.EHX.HeatLossReqd	Input	Visible when the HeatLossMethod = Fixed HeatFlow. The required heat loss.
AQSol.EHX.HTC	Input	Visible when the HeatLossMethod = Ambient. The Overall Heat Transfer coefficient.
AQSol.EHX.Area	Input	Visible when the HeatLossMethod = Ambient. The Heat Transfer area.
AQSol.EHX.AmbientT	Display	Visible when the HeatLossMethod = Ambient. The ambient temperature. The ambient temperature is specified in the Plant Model - Environment_Tab
AQSol.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 AQSol species, and therefore are not taken into account in the AQSol 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 AQSol 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 AQSol and the AQSol calculation results.
ShowScaling	Tickbox	Available from Build 139.34985. Allows the user to view the Scaling tab page.
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 AQSol 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.
AQSolInput		Copies the "Input" mass flow values onto clipboard. These can be directly copied into the AQSol spreadsheet that came with the DLL.

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 AQSol 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 AQSol 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 AQSol 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 AQSol 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.

AQSolResults tab page

In Build 138, this page was called Results.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
AQSol 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.
AQSol.Feed.MassFlow / Qm	Display	The mass flow of material in the feed to the AQSol calculation. Same value as tag Feed.Qm.
TotalFeed.MassFlow / Qm	Display	The total feed mass to the AQSol model block. Sum of bypasses and feed to AQSol calculation.
Product Massflow Summary
AQSol.Prod.MassFlow / Qm	Display	The mass flow of material in the product of the AQSol 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 AQSol model block. Sum of bypasses and product of AQSol calculation.
Solids Yield
Solids.Yield	Display	The solids concentration in the product stream.
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.
AqDensity / AqRho	Display	The density of aqueous species (solution) in the final solution.
SolDensity / SolRho	Display	The density of solid species in the final mixture.
Density / Rho	Display	The density of all species in the final mixture.
IonicStrength / I	Display	The molar Ionic Strength of the final solution.
pH	Display	The pH of the final solution.
WaterActivity	Display	The water activity of the final solution.
TotalDissolvedSolids / TDS	Display	The mass concentration of Total Dissolved Solids (total aqueous-water) in the final solution.
OsmoticPressure / OsmP	Display	The Osmotic Pressure of the final solution as calculated by AQSol.
pKw	Display	The pKw of the final solution.
AQSolInput		Copies the "Input" mass flow values onto clipboard. These can be directly copied into the AQSol spreadsheet that came with the DLL.
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.
AQSol Energy Balance (only shown if CalcEnthalpy is enabled on TCE tab page)
AQSol.HeatFlow	Display	Difference in enthalpy between the product and feed of the AQSol reactions calculated by AQSol.
Bypass.HeatFlow	Display	The heat required to adjust the temperature and pressure of the bypass stream to exit conditions.
RX.HeatFlow	Display	The heat generated or consumed by reactions defined in the reaction block (separate and in addition to AQSol reactions).
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 AQSol 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 AQSol before mapping and after bypass and unmapped are removed.
FwdMap	Display	This displays mass and AQSol enthalpy of the Input stream to AQSol 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
RevMap.TCEProd	Display	This displays mass and AQSol enthalpy of the Output stream from AQSol. 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 AQSol.
Enthalpy / totHf@T	Display	The Enthalpy of the feed solution. This is calculated by AQSol.
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 AQSol.
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 AQSol.
Enthalpy / totHf@T	Display	The Enthalpy of the product solution. This is calculated by AQSol.
AqDensity / AqRho	Display	The density of aqueous species (solution) in the final solution.
SolDensity / SolRho	Display	The density of solid species in the final mixture.
Density / Rho	Display	The density of all species in the final mixture.
IonicStrength / I	Display	The molar Ionic Strength of the final solution.
pH	Display	The pH of the final solution.
WaterActivity	Display	The water activity of the final solution.
TotalDissolvedSolids / TDS	Display	The mass concentration of Total Dissolved Solids (total aqueous-water) in the final solution.
OsmoticPressure / OsmP	Display	The Osmotic Pressure of the final solution as calculated by AQSol.
pKw	Display	The pKw of the final solution.
AQSolInput		Copies the "Input" mass flow values onto clipboard. These can be directly copied into the AQSol spreadsheet that came with the DLL.
Copy Reverse Mapping Reactions to Clipboard
RevMap.IonRxns		A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard.
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.
ActivityCoeff	Display	Only shown for liquid/aqueous species. The activity coefficient of the species.
SatIdx	Display	Only shown for solid species. The saturation index of the species relative to its equilibrium solubility.
SatIdx.Eff	Display	Only shown for solid species. The saturation index of the species adjusted for user specified Saturation Index as defined in the AQSol Model Configuration.
Fugacity	Display	Only shown for gaseous species. The fugacity of the species.
Fugacity.Eff	Display	Only shown for gaseous 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 AQSol.
Enthalpy / totHf@T	Display	The Enthalpy difference between the feed and product solutions. This is calculated by AQSol.
Copy Reverse Mapping Reactions to Clipboard
RevMap.IonRxns		A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard.
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.

Scaling tab page

This tab is only visible if ShowScaling is ticked. This page lists all the Saturation Index for all the solid species in the product.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Scaling ...
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.
Stream		Copy list of solids species and their Saturation Index to the clipboard, for pasting into external programs such as Excel.
Filter View
Filter		This button will enable or disable the species filter options.
Phases (Only visible if Filter is enabled)	Display	Always set to 'Solids'.
Filters (Only visible if Filter is enabled)	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 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 table displays the solid* AQSol species from the selected database. The table has the following columns (one row per AQSol species.)*
SatIdx	Display	The saturation index of the solid species relative to its equilibrium solubility.
SatIdx.Eff	Display	The saturation index of the solid species adjusted for user specified Saturation Index as defined in the AQSol Model Configuration.

Solid.MaxSI	Display	The maximum saturation index of any of the AQSol solid species.
Solid.MaxSI_Sp	Display	The AQSol solid species which has the maximum saturation index.
Solid.MaxSIEff	Display	The maximum effective saturation index of any of the AQSol solid species.
Solid.MaxSIEff_Sp	Display	The AQSol solid species which has the maximum effective saturation index.

AQSolProps tab page

Only displayed once model is successfully run.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Property calculations from AQSol
Enthalpy_of_liquid	Display	AqSol calculated Results
Enthalpy_of_solid	Display	AqSol calculated Results
Heat_capacity_of_liquid	Display	AqSol calculated Results
Bubble_point_pressure	Display	AqSol calculated Results
pH	Display	AqSol calculated Results
Mean_ionic_molal_activity_coefficient	Display	AqSol calculated Results
Water_activity	Display	AqSol calculated Results
Ionic_strength	Display	AqSol calculated Results
Density_of_Liquid_phase	Display	AqSol calculated Results
Density_of_solid_phase	Display	AqSol calculated Results

ElemBal tab page

This tab performs an element balance between the AQSol 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 AQSol unit models which reference the same AQSol 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 AQSol unit models which reference the same AQSol Model Configuration unit model.
AQSol...
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.
AQSol 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 AQSol Input stream.
FlowOut / Qm.Out	Display	Visible when ElementBalanceView = Mass. The mass flow of the element in the AQSol 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 AQSol Output and Input streams.
FlowIn / QMl.In	Display	Visible when ElementBalanceView = Mole. The molar flow of the element in the AQSol Input stream.
FlowOut / QMl.Out	Display	Visible when ElementBalanceView = Mole. The molar flow of the element in the AQSol Output stream.
AbsErr / QMl.Err	Display	Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the AQSol Output and Input streams.
RelErr	Display	The relative difference in flow of the element between the AQSol 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.
AQSol.Liquid...
AQSol 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.
AQSol.Solid...
AQSol 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.
AQSol.Gas...
AQSol 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 AQSol 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.
AQSol.<AQSol PHASE>...
AQSol 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 AQSol phase of the Input stream.
FlowOut / Qm.Out	Display	Visible when ElementBalanceView = Mass. The mass flow of the element in the selected AQSol phase of the Output stream.
Change / Qm.Chng	Display	Visible when ElementBalanceView = Mass. The change in mass flow of the element between the selected AQSol phase of the Output and Input streams.
FlowIn / QMl.In	Display	Visible when ElementBalanceView = Mole. The molar flow of the element in the selected AQSol phase of the Input stream.
FlowOut / QMl.Out	Display	Visible when ElementBalanceView = Mole. The molar flow of the element in the selected AQSol phase of the Output stream.
Change / QMl.Chng	Display	Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the selected AQSol phase of the Output and Input streams.
RelChange	Display	The relative change in flow of the element between the selected AQSol 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 AQSol 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 AQSol 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 AQSol species from the selected database. The user can select any number of species.) (Each table has the following column (one row per AQSol 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:	ScdAQSol.dll	→	Units/Links	→	TCE AQSol: AQSol Reactor
or	Group:	Energy Transfer	→	Units/Links	→	TCE AQSol: AQSol Reactor

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

Insert into Project

Insert Unit

→

TCE AQSol

→

AQSol Reactor

See Insert Unit for general information on inserting units.

AQSol Reactor

Contents