AQSol Direct Calc

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Navigation: Models ➔ TCE Models ➔ AQSol ➔ AQSol Direct Calc

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 Direct Calc model allows the user to 'call' the AQSol solver to determine the state of an aqueous solution at a given temperature/enthalpy and pressure. The user enters the mass or molar makeup of the 'Feed' stream, and the unit will then determine the equilibrium conditions of the resulting stream at the user defined temperature/enthalpy and pressure.

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

Notes

  1. The user MUST have added and configured a AQSol Model Configuration unit in the SysCAD project before this unit can function.
  2. 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

TPS Direct Calc.png

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

Inputs and Outputs

There are no connections to this unit.

Model Theory

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

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

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

The calculations performed are similar to using AQSol directly. Please see www.phasediagram.dk for more information.


Workflow

The suggested workflow for configuring the model is:

  1. Make sure the project contains at least one of the AQSol Model Configuration model, and the model is loaded with the correct AQSol database file you would like to use for the direct calculation.
  2. On the Direct Calc DInput tab page, type in the required feed properties for T, P and mass or mole flow of individual species.
  3. Perform an equilibrium calculation based on constant Temperature by pressing the Calculate.png button on the AQSolDirectCalc tab page.
  4. The Results are displayed on the AQSolResults and Output tabs.

NOTES:

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

Data Sections

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

  1. AQSolDirectCalc tab - This first tab allows the user to choose the corresponding AQSol Model Configuration unit and set some general options.
  2. DInput tab - This tab allows the user to set the final conditions, specify the Input composition and perform calculations.
  3. AQSolResults tab - This tab displays the key results of the calculations.
  4. Input tab - This tab displays a summary of the Input stream.
  5. Output tab - This tab displays the Output stream results including the amounts of each species present in the final solution.
  6. AQSolProps tab - This tab returns the AQSol calculated properties.
  7. Diff tab - Optional tab, only visible if ShowRxnDiff option is enabled on the first tab page. This tab displays the amounts of each species which are formed or reacted as part of the calculations.
  8. Scaling tab - Optional tab, only visible if the ShowScaling option is enabled on the TCE tab.
  9. ElemBal tab - This tab displays an elemental balance between the Input and Output streams.
  10. PhDeport/Deportment tab - Optional tab, only visible if the PhaseElemDeportment option is enabled on the first tab page. This tab shows the movement of elements for the Solid, Liquid and Gas phases.
  11. IPhDeport tab - Optional tab, only visible if the IPhaseElemDeportment option is enabled on the first tab page. This tab shows the movement of elements for individual AQSol phases.
  12. UnitTag.ParamSweep tab - Optional tab, only visible if the ShowPlotter option is enabled on the first tab page. This tab allows the user to generate sets of data.
  13. SpForPlot tab - Optional tab, only visible if the SelectSp option is enabled on the ParamSweep tab. This tab allows the user to select which species to be reported in the sets of data to be generated.
  14. Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.

AQSolDirectCalc tab page

Unit Type: AQSolDirectCalc - 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.
This program contains AQSol Copyright Aqueous Solutions Aps, Denmark
StreamView Mass.png
Molar.png		 If the Mass button is clicked, the total flow and AQSol species will be entered/displayed in mass flow view.
If the Mole button is clicked, the total flow and AQSol species will be entered/displayed in mole flow view.
Required (Mass or Molar) Flow:
MassFlowReqd / QmReqd Input Visible with Mass StreamView. The mass flow required from the feeder.
MoleFlowReqd / QMlReqd Input Visible with Mole StreamView. The molar flow required from the feeder.
Temperature & Pressure Requirements:
Temperature / T Input The required temperature of the material from the feeder.
Pressure / P Input The required pressure of the the material from the feeder.
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 Check Tag.png 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.
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.
DirectCalc The results from the AQSol calculation will be displayed.
VLEModel Display Displays the VLE model used.
Select dependent variable and target value
OpMode...
OpMode AtTandP The calculation is performed at the user specified Temperature and Pressure (T and P are entered on the DInput tab page).
Enthalpy 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.
CalcEnthalpy tickbox Visible when OpMode ≠ 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.
dEnth.Reqd / dH.Reqd Input Only visible if OpMode = Enthalpy AQSol. The user specified target duty.
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.
Select independent variable to adjust to achieve target (The following section is only displayed if OpMode ≠ AtTandP)
AdjustVar...
Method AdjustT The chosen independent variable for adjustment is Temperature.
AdjustQMl The chosen independent variable is flow of an individual species.
InitTemperature / InitT Input Only visible if Method = AdjustT. The initial guess to be used for the temperature of the final solution.
MaxTemperature / MaxT Input Only visible if Method = AdjustT. The maximum temperature of the final solution.
SelPhase... (only visible if Method = AdjustQMl)
Filter Input Only visible if Method = AdjustQMl. Allows user to optionally shorten the Phase Selection list (PhaseFilter) by entering in some letters from the desired phase.
PhaseFilter List Only visible if Method = AdjustQMl. 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.
SelSp... (only visible if Method = AdjustQMl)
Filter Input Only visible if Method = AdjustQMl. Allows user to optionally shorten the Species Selection list (TargSpAdjust) by entering in some letters from the desired species.
TargSpAdjust List Only visible if Method = AdjustQMl. The user can select a single species to have limits imposed from the list of all species in the AQSol database. The list will be limited to those in the selected phase (SelPhase) and will not show all species if user has entered some letters in the Contains field above.
MoleBasis Tickbox
Target calculation details (only displayed if OpMode ≠ AtTandP)
TargCalc...
UseRelaxation Tickbox
RelaxationFactor Input The relaxationFactor, used when UseRelaxation is ticked. Values limits: 0.001 < RelaxationFactor < 5.
Settings TargSolv Reset Button.png If the user clicks on this button, the all the target solver settings will be reset to their default values.
SpMoleFlow / QMl Display Only shown if AdjustVar.Method = AdjustQMl. The actual mole flow used of the adjusted species.
SpMoleFlow / Qm Display Only shown if AdjustVar.Method = AdjustQMl. The actual mass flow used of the adjusted species.
Options
ShowRxnDiff Tickbox If this is ticked, then the Diff tab page will appear. This tab shows the mass movement of each species, positive value indicates the species has been created.
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 after a calculation has been successfully performed. If this is ticked, then the ParamSweep tab page will appear.
AQSolInput GenerateForSpreadsheet.png Copies the "Input" mass flow values onto clipboard. These can be directly copied into the AQSol spreadsheet that came with the DLL.
Calculate Calculate.png Click on this button to perform a calculation to determine the conditions of the final solution, including enthalpy, based on the specified operating conditions.
PasteData PasteFromClipboardButton.png Click on this button to paste AQSol input data from the clipboard to the model.

DInput tab page

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

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Required Mass/Molar Flow:
MassFlowReqd / QmReqd Input Visible with Mass StreamView. The mass flow required from the feeder.
MoleFlowReqd / QMlReqd Input Visible with Mole StreamView. The molar flow required from the feeder.
Temperature & Pressure Requirements:
Temperature / T Input The required temperature of the user input mixture.
Pressure / P Input The required pressure of the user input mixture.
StreamView Mass.png
Molar.png		 If the Mass button is clicked, the AQSol species will be entered/displayed in mass flow view.
If the Mole button is clicked, the AQSol species will be entered/displayed in mole flow view.
DFeed...
SpeciesName SpeciesLongButton.png
SpeciesShortButton.png		 The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
NetCharge Display The NetCharge of the stream.
BalancingIon List The chosen ion to be adjusted to maintain electroneutrality (zero Net Charge). If left as default "-", then no ions will be used to maintain electroneutrality and Net Charge could be non-zero.
(The following tables allow the user to specify the composition of the Input by specifying the mass or mole of the individual AQSol species.)
(Each table (one for each phase) has the following columns (one row for each species):)
MassFlow / Qm Input Visible when Mass StreamView is selected. The user specified mass flow of each AQSol species.
MassFrac / Mf Display Visible when Mass StreamView is selected. The mass fraction of the species in the total input.
PhaseMassFrac / IPh:Mf Display Visible when Mass StreamView is selected. The mass fraction of the species in the displayed phase.
MoleFlow / QMl Input Visible when Mole StreamView is selected. The user specified mole flow of each AQSol species.
MoleFrac / Mlf Display Visible when Mole StreamView is selected. The mole fraction of the species in the total input.
PhaseMoleFrac / IPh:Mlf Display Visible when Mole StreamView is selected. The mole fraction of the species in the displayed phase.

AQSolResults tab page

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


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 GenerateForSpreadsheet.png Copies the "Input" mass flow values onto clipboard. These can be directly copied into the AQSol spreadsheet that came with the DLL.
Zeros Hide Zeros.png
Show Zeros.png		 If the Hide Zeros button is clicked, all phases/species that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all phases/species will be displayed, including those with zero mass flow.
Note this setting applies to the subsequent pages as well.
Feed...
Feed Phase Flowrate Summary
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)):
MassFlow / Qm Display The mass flow of the relevant phase in the feed.
MassFrac / Mf Display The mass fraction of the relevant phase in the feed.
MoleFlow / QMl Display The mole flow of the relevant phase in the feed.
MoleFrac / Mlf Display The mole fraction of the relevant phase in the feed.
Prod...
Prod Phase Flowrate Summary
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)):
MassFlow / Qm Display The mass flow of the relevant phase in the final solution.
MassFrac / Mf Display The mass fraction of the relevant phase in the final solution.
MoleFlow / QMl Display The mole flow of the relevant phase in the final solution.
MoleFrac / Mlf Display The mole fraction of the relevant phase in the final solution.
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.
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.
Calculation Summary
Summary...
LastCalcType Display This displays the type of calculation (OpMode) used for the last calculation.
Remove Remove Duplicates.png If the user clicks on this button, SysCAD will remove duplicate error messages received.
ErrorCount Display The total number of errors encountered in the last calculation.
ErrorXX Display If there are error messages associated with the last calculation, they will be displayed here.
ConvergenceError Display The largest numerical convergence error. This is often zero when the solution converges with no errors.

Input tab page

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


Output tab page

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


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 SpeciesLongButton.png
SpeciesShortButton.png		 The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
Zeros Hide Zeros.png
Show Zeros.png		 If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow.
Stream CopyToClipboard Button.png Copy list of solids species and their Saturation Index to the clipboard, for pasting into external programs such as Excel.
Filter View
Filter Button - Filter On.png
Button - Filter Off.png		 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 a calculation has been successfully performed.

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.

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 Mass.png
Molar.png 		If the Mass button is clicked, the elements will be shown in mass flow view.
If the Mole button is clicked, the elements will be shown in mole flow view.
Zeros Hide Zeros.png
Show Zeros.png 		If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow.
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.


PhDeport tab page

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

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
PD...
ElementBalanceView Mass.png
Molar.png 		If the Mass button is clicked, the elements will be shown in mass flow view.
If the Mole button is clicked, the elements will be shown in mole flow view.
Zeros Hide Zeros.png
Show Zeros.png 		If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow.
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 Mass.png
Molar.png 		If the Mass button is clicked, the elements will be shown in mass flow view.
If the Mole button is clicked, the elements will be shown in mole flow view.
Zeros Hide Zeros.png
Show Zeros.png 		If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow.
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. In Build 139 or later, this option is only shown if a calculation has been successfully performed.

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

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Use tools on this page to generate tabular data on clipboard from parameter sweep
ParamSweep...
Method AdjustT The chosen independent variable is Temperature.
AdjustQMl The chosen independent variable is flow of an individual species.
MinTemperature / MinT Input Only visible if Method = AdjustT. The minimum temperature of the final solution in the data set.
MaxTemperature / MaxT Input Only visible if Method = AdjustT. The maximum temperature of the final solution in the data set.
SelPhase... (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 IndVar Defaults Button.png 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 GenerateButton.png If the user clicks on this button, SysCAD will perform the requested calculations based on the chosen parameters, to generate the required data.
PlotDataTable GenerateData Button.png 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 SpeciesLongButton.png
SpeciesShortButton.png		 The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
SelectVisible SelectVisibleButton.png 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 UnselectVisibleButton.png 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 Button - Filter On.png
Button - Filter Off.png 		This button will enable or disable the species filter options.
ShowUnmapped
(Only visible if Filter is enabled) 		Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases
(Only visible if Filter is enabled)		 All No filtering of species based on phase.
Solids Only show solid phase species, hide other species.
Liquids Only show liquid phase species, hide other species.
Vapours Only show vapour (gaseous) phase species, hide other species.
Solids & Liquids Only show solid and liquid phase species, hide other species.
Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species.
Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species.
IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the 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 SelectAllButton.png User can select all the species in the relevant phase.
UnselectAll UnselectAllButton.png 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 DirectCalc

or

Group:

General

→

Units/Links

→

TCE AQSol: AQSol DirectCalc

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


Insert into Project

 

Insert Unit

→

TCE AQSol

→

AQSol DirectCalc

See Insert Unit for general information on inserting units.

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