AQSol Feeder Model

From SysCAD Documentation
Jump to navigation Jump to search

Navigation: Models ➔ TCE Models ➔ AQSol Add-On ➔ AQSol Feeder Model

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

Latest SysCAD Version: 18 May 2022 - SysCAD 9.3 Build 139.30918

Related Links: AQSol SysCAD Project Workflow


Only available in Build 139.30807 or later.

General Description

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

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

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

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

TCE Feeder.png

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

Inputs and Outputs

Label Required/
Optional
Input / Output No of connections Description
Min Connection Max Connection  
Source Optional Output 0 1 Outlet stream

Model Theory

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

There are two mapping modes available, MapEach and MapCombined. The choice of mapping mode is linked to the user choice of OpMode. These are explained below.

  • MapEach (all OpModes except Enthalpy)
AQSol MapEach2.png
In this mapping mode, the streams are loaded individually into AQSol. The mixing is therefore done in the AQSol enthalpy context.
  • MapCombined (only used with OpMode = Enthalpy)
AQSol MapCombined2.png
In this mapping mode, the streams are mixed using the SysCAD enthalpy context prior to being loaded into AQSol

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

  1. User connects the AQSol Feeder with SysCAD input streams,
  2. 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.
  3. The AQSol Feeder calls the AQSol algorithms to determine the status of the mixture using the converted AQSol "input" data.
  4. The AQSol results are displayed in the "output" tab using AQSol species.
  5. The results are converted back into SysCAD species. Please see Species Mapping for more information.

NOTES:

  • The Input, Output and Diff tab pages are displayed using AQSol species, as defined in the AQSol database (.dat) 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 Feeder feed enthalpy in the AQSol context is determined from the equilibrium composition of the Feeder feed as calculated by AQSol at the SysCAD stream temperature and pressure. If one or more of the SysCAD streams feeding the AQSol Feeder 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 Feeder. Ensure that both the AQSol and SysCAD energy balances are reasonable.

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 you would like to use for the AQSol Feeder.
  2. On the AQSolFeeder Tab Page, select the correct "ChemModel" (to match step 1)
  3. Configure the model - methods, pressures (if applicable)
  4. Select any sub-models
  5. Perform an equilibrium calculation by pressing Solve in SysCAD.
  6. The Results are displayed in the AQSolResults and Output tabs.
  7. 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.

  1. AQSolFeeder tab - This first tab allows the user to set the flow, temperature and pressure of the feed stream as well as the corresponding AQSol Model Configuration unit and 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. Diff tab - Optional tab, only visible if the 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.
  7. ElemBal tab - This tab displays an elemental balance between the Input and Output streams.
  8. PhDeport 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.
  9. 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 the individual AQSol phases.
  10. QProd - Optional tab, only visible if ShowQProd is enabled on the first tab page.
  11. Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.

AQSolFeeder tab page

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

Tag (Long/Short) Input / Calc / Options Description
Tag Display This name tag may be modified with the change tag option.
Condition Display OK if no errors/warnings, otherwise lists errors/warnings.
ConditionCount Display The current number of errors/warnings. If condition is OK, returns 0.
GeneralDescription / GenDesc Display This is an automatically generated description for the unit. If the user has entered text in the 'EqpDesc' field on the Info tab (see below), this will be displayed here.
If this field is blank, then SysCAD will display the unit class ID.
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.
This program contains AQSol Copyright Aqueous Solutions Aps, Denmark
TCE...
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.
ChemModel.Selected 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.
Select actions if species unmapped
RevSpMap.UnmappedAction Make Inactive The unit model will be inactive (off) if any species are unmapped.
Stop Solver The model will stop solving if any species are unmapped.
Allow Solve The model will continue solving if any species are unmapped.
Selection actions if AQSol calculation fails
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.
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 OpModeEnthalpy 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 the OpModeAtTandP or Temperature)
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 {{{TPS}}} 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 {{{TPS}}} database. The list will be limited to those in the selected phase (SelPhase) and will not show all species if user has entered some letters in the Contains field above.
MoleBasis Tickbox Only visible if Method = AdjustQMl. If this box is ticked, user specifies the minimum and maximum mole flow of selected species. If this is not ticked, user can specify these flows in terms of mass flow.
MinSpMassFlow / 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.
Target calculation details
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 visible when Method = "AdjustQMl". The molar flow of the target species.
SpMassFlow / Qm Display Only visible when Method = "AdjustQMl". The mass flow of the target 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.
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 {{{TPS}}} calculation results.
Results: Flow Conditions
State Display Displays the state of the unit. Options are: Feeder, Sink, Feeder-Connected, Sink-Connected.
MassFlow / Qm Display The mass flow into or out of the unit.
VolFlow / Qv Display The volume flow into or out of the unit.
NVolFlow / NQv Display The normalised volume flow into or out of the unit.
Temperature / T Display The Temperature of the material flowing into or out of the unit.
Density / Rho Display The density of the material flowing into or out of the unit.
Pressure / P Display The pressure of the unit.
Options
PasteData PasteFromClipboard.png Click on this button to paste data copied from another AQSol stream (using the 'CopyToClipboard' button). The stream may be in the current SysCAD project, or another project.
ShowQProd Tickbox Allows the user to view the Product tab of the Feeder. This is the actual flow from the Feeder unit.

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
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.
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.
[email protected] Display The Enthalpy of the final solution per unit mass.
Enthalpy / [email protected] Display The Enthalpy of the final solution.
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.
ElecConductivity / [email protected] Display The electric conductivity of the final solution.
pKw Display The pKw of the final solution.
Feed...
Feed Phase Flowrate Summary
PhaseZeros 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.
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)):
MassFlow / Qm Display The mass flow of the relevant phase in the feed.
MassFrac / Mf Display The mass fraction of the relevant phase in the feed.
MoleFlow / QMl Display The mole flow of the relevant phase in the feed.
MoleFrac / Mlf Display The mole fraction of the relevant phase in the feed.
Prod...
Prod Phase Flowrate Summary
PhaseZeros 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.
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)):
MassFlow / Qm Display The mass flow of the relevant phase in the final solution.
MassFrac / Mf Display The mass fraction of the relevant phase in the final solution.
MoleFlow / QMl Display The mole flow of the relevant phase in the final solution.
MoleFrac / Mlf Display The mole fraction of the relevant phase in the final solution.
Energy Balance
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.
Summary...
Calculation Summary
LastCalcType Display This displays the type of calculation (OpMode) used for the last calculation.
LastCalcTime Display The amount of time taken to calculate the last set of conditions.
Remove 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.
Enthalpy / [email protected] 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 AQSol database chosen.
Filters
(Only visible if Filter is enabled)
Content All species which meet the Phase and Content criteria will be displayed.
Content & MassFrac Limit Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
Content & MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
Content & MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Limit Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content
(Only visible when one of
the Content Filter options
is selected)
All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit Input Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count Input Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.)
(Each table (one for each phase) has the following columns (one row for each species):)
MassFlow / Qm Display Visible when StreamView = Mass. The mass flow of the species in the feed stream.
MassFrac / Mf Display Visible when StreamView = Mass. The mass fraction of the species in the feed stream.
PhaseMassFrac / IPh:Mf Display Visible when StreamView = Mass. The mass fraction of the species in the displayed phase.
MoleFlow / QMl Display Visible when StreamView = Mole. The mole flow of the species in the feed stream.
MoleFrac / Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the feed stream.
PhaseMoleFrac / IPh:Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the displayed phase.


Output tab page

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Stream Properties Summary
Prod...
Temperature / T Display The Temperature of the product solution. This is calculated using the SysCAD enthalpy context.
Pressure / P Display The Pressure of the product solution.
Enthalpy / [email protected] Display The Enthalpy of the product solution. This is calculated by AQSol.
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.
ElecConductivity / [email protected] Display The electric conductivity of the final solution.
pKw Display The pKw of the final solution.
IonRebuildRxns 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 AQSol database chosen.
Filters
(Only visible if Filter is enabled)
Content All species which meet the Phase and Content criteria will be displayed.
Content & MassFrac Limit Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
Content & MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
Content & MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Limit Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content
(Only visible when one of
the Content Filter options
is selected)
All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit Input Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count Input Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.)
(Each table (one for each phase) has the following columns (one row for each species):)
MassFlow / Qm Display Visible when StreamView = Mass. The mass flow of the species in the product stream.
MassFrac / Mf Display Visible when StreamView = Mass. The mass fraction of the species in the product stream.
PhaseMassFrac / IPh:Mf Display Visible when StreamView = Mass. The mass fraction of the species in the displayed phase.
MoleFlow / QMl Display Visible when StreamView = Mole. The mole flow of the species in the product stream.
MoleFrac / Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the product stream.
PhaseMoleFrac / IPh:Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the displayed phase.
ActivityCoeff Display Only shown for liquid/aqueous or solid species. The activity coefficient of the species.
Fugacity Display Only shown for gaseous species. The fugacity of the species.

Diff tab page

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

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Stream Properties Summary
Diff...
Temperature / T Display The Temperature difference between the feed and product solutions. This is calculated using the SysCAD enthalpy context.
Pressure / P Display The Pressure difference between the feed and product solutions.
Enthalpy / [email protected] Display The Enthalpy difference between the feed and product solutions. This is calculated by AQSol.
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 AQSol database chosen.
Filters
(Only visible if Filter is enabled)
Content All species which meet the Phase and Content criteria will be displayed.
Content & MassFrac Limit Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
Content & MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
Content & MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Limit Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content
(Only visible when one of
the Content Filter options
is selected)
All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit Input Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count Input Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.)
(Each table (one for each phase) has the following columns (one row for each species):)
MassFlow / Qm Display Visible when StreamView = Mass. The difference in mass flow of the species.
MassFrac / Mf Display Visible when StreamView = Mass. The difference in mass fraction of the species.
PhaseMassFrac / IPh:Mf Display Visible when StreamView = Mass. The difference in mass fraction of the species in the displayed phase.
MoleFlow / QMl Display Visible when StreamView = Mole. The difference in mole flow of the species.
MoleFrac / Mlf Display Visible when StreamView = Mole. The difference in mole fraction of the species.
PhaseMoleFrac / IPh:Mlf Display Visible when StreamView = Mole. The difference in mole fraction of the species in the displayed phase.


ElemBal tab page

This tab performs an element balance between the 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
Tol.Rel Input
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.
Scd...
SysCAD Element Balance
(The following table displays the mass/molar flows, and absolute and relative errors of the individual elements.)
The table has the following columns (one row for each element):
FlowIn / Qm.In Display Visible when ElementBalanceView = Mass. The mass flow of the element in the SysCAD Input stream.
FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the SysCAD Output stream. The QRxnBypass stream is also included in this total. This can be viewed by clicking "ShowQRxnBypass".
AbsErr / Qm.Err Display Visible when ElementBalanceView = Mass. The difference in mass flow of the element between the SysCAD Output and Input streams.
FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the SysCAD Input stream.
FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the SysCAD Output stream.
AbsErr / QMl.Err Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the SysCAD Output and Input streams.
RelErr Display The relative difference in flow of the element between the SysCAD Output and Input streams, relative to the Input stream.

PhDeport tab page

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

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
PD...
ElementBalanceView Mass.png
Molar.png
If the Mass button is clicked, the elements will be shown in mass flow view.
If the Mole button is clicked, the elements will be shown in mole flow view.
Zeros Hide Zeros.png
Show Zeros.png
If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.
If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow.
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.