AQSol Feeder
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Latest SysCAD Version: 25 October 2024 - SysCAD 9.3 Build 139.36522
Related Links: AQSol SysCAD Project Workflow
Available from Build 139.30807.
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
- The user MUST have added and configured a AQSol Model Configuration unit in the SysCAD project before this unit can function.
- The user MUST have installed a version of AQSol on their computer to make use of the AQSol functionality in SysCAD. Please see www.phasediagram.dk for more information.
Diagram
The diagram shows the default drawing of a AQSol feeder unit model.
Inputs and Outputs
Label | Required / Optional |
Input / Output |
Number of Connections | Description | |
Min | Max | ||||
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.
Mapping of the SysCAD to AQSol streams is done via Species Mapping.
The AQSol Feeder can be incorporated into a SysCAD flowsheet, it can be connected with SysCAD inlet and outlet streams.
- User connects the AQSol Feeder with SysCAD input streams,
- The SysCAD feed stream(s) using SysCAD species is converted into AQSol "Input" using AQSol Species. The species mapping is defined in the corresponding AQSol Model Configuration unit model.
- The AQSol Feeder calls the AQSol algorithms to determine the status of the mixture using the converted AQSol "input" data.
- The AQSol results are displayed in the "output" tab using AQSol species.
- 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.
Workflow
The suggested workflow for configuring the model is:
- Make sure the project contains at least one of the AQSol Model Configuration model, and the model is loaded with the correct AQSol database you would like to use for the AQSol Feeder.
- On the AQSolFeeder tab page, configure the model - methods, pressures, sub-models (if applicable)
- On the DInput tab page, specify the composition of the feed. Note: Flow, temperature and pressure can also be specified on this page.
- On the TCE tab page, select the correct ChemModel (to match step 1) (Note: In older builds, this selection was made on the AQSolFeeder tab page).
- Select other TCE options (Bypass, VLE, CFE, etc.)
- Choose the Target Calculation OpMode and fill in the required information based on the operation mode selection.
- Perform an equilibrium calculation by pressing Solve in SysCAD.
- The Results are displayed in the AQSolResults and Output tabs.
- Check and fix any species mapping issues. (AQSol resulting species may change if the operating conditions change, so it is likely a change of temperature or feed composition will result in different AQSol species.)
Data Sections
The tabs and variable names are described in detail in the following tables.
- AQSolFeeder tab - This first tab allows the user to set the flow, temperature and pressure of the feed stream.
- TCE tab - This tab allows the user to choose the corresponding AQSol Model Configuration unit and set other TCE options.
- DInput tab - This tab allows the user to set the conditions and specify the Input composition.
- AQSolResults tab - This tab displays the key results of the calculations.
- Input tab - This tab displays a summary of the Input stream.
- Output tab - This tab displays the Output stream results including the amounts of each species present in the final solution.
- Diff tab - Optional tab, only visible if the ShowRxnDiff option is enabled on the TCE tab page. This tab displays the amounts of each species which are formed or reacted as part of the calculations.
- Scaling tab - Optional tab, only visible if the ShowScaling option is enabled on the TCE tab.
- AQSolProps tab - This tab returns the AQSol calculated properties.
- ElemBal tab - This tab displays an elemental balance between the Input and Output streams.
- PhDeport tab - Optional tab, only visible if the PhaseElemDeportment option is enabled on the TCE tab page. This tab shows the movement of elements for the Solid, Liquid and Gas phases.
- IPhDeport tab - Optional tab, only visible if the IPhaseElemDeportment option is enabled on the TCE tab page. This tab shows the movement of elements for the individual AQSol phases.
- QProd - Optional tab, only visible if ShowQProd is enabled on the first tab page.
- Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.
AQSolFeeder tab page
Unit Type: AQSolFeeder - The first tab page in the access window will have this name.
TCE tab page
Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
This program contains AQSol Copyright Aqueous Solutions Aps, Denmark | ||
Chemistry Model | ||
ChemModel... | ||
UnitTag | List | The tag of the relevant AQSol Model Configuration unit model- this may be chosen from the drop down list of all AQSol Model Configuration unit models available in the project. |
ModelCfgTagUsed/ModelCfgTag | Display | The tag of the relevant AQSol Model Configuration unit model. |
Check | If the user clicks on this button, SysCAD will check that the UnitTag is a valid AQSol Model Configuration unit model. | |
ConnOK | Tickbox | If SysCAD finds a valid AQSol Model Configuration unit model, then this field will be enabled. |
Status | OK | The specified chemistry model (AQSol Model Configuration) has been initialised correctly and the database file has been found and loaded correctly. |
ChemModel Tag not Specified | No tag has been specified for the Chemistry Model. Specify the desired Chemistry Model (AQSol Model Configuration) in the UnitTag field. | |
Valid ChemModel Tag Required | The tag specified for the Chemistry Model in the UnitTag field is invalid and needs to be corrected. | |
Init Required | The specified Chemistry Model (AQSol Model Configuration) needs to be initialised. | |
ChemModel Load Required | The database of the specified Chemistry Model (AQSol Model Configuration) needs to be loaded. | |
DLL or Version Error | There is a problem with the AQSol DLL or version. | |
Init Failed | Initialisation of the specified Chemistry Model (AQSol Model Configuration) has been attempted but failed. | |
Select actions if species unmapped | ||
RevSpMap.UnmappedAction | Make Inactive | Any unmapped SysCAD species will cause the model to be inactive. |
Stop Solver | Any unmapped SysCAD species will cause the solver to stop, user will need to fix the species mapping before solving again. | |
Allow Solve | Any unmapped SysCAD species will be ignored. Model will solve but will have a mass balance error. | |
ActionOnError | Continue | The model will continue solving if the AQSol calculation fails. |
Pause | The model will pause solving if the AQSol calculation fails. | |
Stop | The model will stop solving if the AQSol calculation fails. | |
Requirements | ||
Model | None (Off) | No calculations will be performed and input=output. |
Feeder | The results from the AQSol calculation will be displayed and applied. | |
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. |
Target calculation details (only displayed if OpMode ≠ Temperature or FeedT) | ||
TargCalc... | ||
UseRelaxation | Tickbox | |
RelaxationFactor | Input | The RelaxationFactor, used when UseRelaxation is ticked. Values limits: 0.001 < RelaxationFactor < 5. |
Settings | If the user clicks on this button, the all the target solver settings will be reset to their default values. | |
SpMoleFlow / QMl | Display | Only shown if AdjustVar.Method = AdjustQMl. The actual mole flow used of the adjusted species. |
SpMoleFlow / Qm | Display | Only shown if AdjustVar.Method = AdjustQMl. The actual mass flow used of the adjusted species. |
Options | ||
ShowRxnDiff | Tickbox | Allows the user to view the Diff tab page. This shows the difference between the mapped input stream seen by AQSol and the AQSol calculation results. |
ShowScaling | Tickbox | Available from Build 139.34985. Allows the user to view the Scaling tab page. |
PhaseElemDeportment | Tickbox | If this is ticked, then the PhDeport tab page will appear. This tab shows the mass movement of elements for the Solid, Liquid and Gas phases. |
IPhaseElemDeportment | Tickbox | If this is ticked, then the IPhDeport tab page will appear. This shows how the elements move between phases due to the AQSol calculation results. |
ShowPlotter | Tickbox | This option is only visible if this model has been successfully run. Allows the user to perform a parameter sweep using the product stream of the side calculator. If this is ticked, then the ParamSweep tab page will appear. |
DInput tab page
This tab is used to define the Inputs for the AQSol calculation, including the composition in terms of AQSol species.
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 | Copies the "Input" mass flow values onto clipboard. These can be directly copied into the AQSol spreadsheet that came with the DLL. | |
Zeros | If the Hide Zeros button is clicked, all phases/species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all phases/species will be displayed, including those with zero mass flow. Note this setting applies to the subsequent pages as well. | |
Feed... | ||
Feed Phase Flowrate Summary | ||
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)): | ||
MassFlow / Qm | Display | The mass flow of the relevant phase in the feed. |
MassFrac / Mf | Display | The mass fraction of the relevant phase in the feed. |
MoleFlow / QMl | Display | The mole flow of the relevant phase in the feed. |
MoleFrac / Mlf | Display | The mole fraction of the relevant phase in the feed. |
Prod... | ||
Prod Phase Flowrate Summary | ||
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)): | ||
MassFlow / Qm | Display | The mass flow of the relevant phase in the final solution. |
MassFrac / Mf | Display | The mass fraction of the relevant phase in the final solution. |
MoleFlow / QMl | Display | The mole flow of the relevant phase in the final solution. |
MoleFrac / Mlf | Display | The mole fraction of the relevant phase in the final solution. |
AQSol Energy Balance (only shown if CalcEnthalpy is enabled on TCE tab page) | ||
AQSol.HeatFlow | Display | Difference in enthalpy between the product and feed of the AQSol reactions calculated by AQSol. |
Bypass.HeatFlow | Display | The heat required to adjust the temperature and pressure of the bypass stream to exit conditions. |
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. |
Reverse Mapping Summary | ||
RevMap.TCEProd | Display | This displays mass and AQSol enthalpy of the Output stream from AQSol. The enthalpy of the RevMap.TCEProd stream and the RevMap stream are likely to be different. Some reasons for differences include differences in enthalpy values for pure species and the incorporation of additional solution thermodynamics terms. |
RevMap | Display | This displays mass and SysCAD enthalpy of the Prod stream after reverse mapping. |
RevMap.Diff | Display | This displays the difference in mass and enthalpy between the Output stream and Prod stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data. |
RevMap.RelDiff | Display | This displays the relative difference in mass and enthalpy between the Output stream and Prod stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data. |
Copy Reverse Mapping Reactions to Clipboard | ||
RevMap.IonRxns | Pushing this button copies to the clipboard a list of reactions that were executed to perform the reverse mapping. These can then be pasted into Excel to generate a table. | |
Calculation Summary | ||
Summary... | ||
LastCalcType | Display | This displays the type of calculation (OpMode) used for the last calculation. |
Remove | If the user clicks on this button, SysCAD will remove duplicate error messages received. | |
ErrorCount | Display | The total number of errors encountered in the last calculation. |
ErrorXX | Display | If there are error messages associated with the last calculation, they will be displayed here. |
ConvergenceError | Display | The largest numerical convergence error. This is often zero when the solution converges with no errors. |
Input tab page
Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
Stream Properties Summary | ||
Feed... | ||
Temperature / T | Display | The Temperature of the feed solution. This is calculated using the SysCAD enthalpy context. |
Pressure / P | Display | The Pressure of the feed solution. |
MassFlow / Qm | Display | The Mass Flow of the feed solution. |
Hf@T | Display | The Enthalpy of the feed solution per unit mass. This is calculated by AQSol. |
Enthalpy / totHf@T | Display | The Enthalpy of the feed solution. This is calculated by AQSol. |
Feed... | ||
SpeciesName | The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. | |
Zeros | If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow. | |
StreamView | If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view. | |
Stream | Mass | Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. |
Mole | Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. | |
Unmapped Mass | Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. | |
Unmapped Mole | Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. | |
Filter View | ||
Filter | This button will enable or disable the species filter options. | |
ShowUnmapped (Only visible if Filter is enabled) |
Tickbox | When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown. |
Phases (Only visible if Filter is enabled) |
All | No filtering of species based on phase. |
Solids | Only show solid phase species, hide other species. | |
Liquids | Only show liquid phase species, hide other species. | |
Vapours | Only show vapour (gaseous) phase species, hide other species. | |
Solids & Liquids | Only show solid and liquid phase species, hide other species. | |
Solids & Vapours | Only show solid and vapour (gaseous) phase species, hide other species. | |
Liquids & Vapours | Only show liquid and vapour (gaseous) phase species, hide other species. | |
IPhase | Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the {{{TPS}}} database chosen. | |
Filters (Only visible if Filter is enabled) | Content | All species which meet the Phase and Content criteria will be displayed. |
Content & MassFrac Limit | Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed. | |
Content & MassFrac Largest | Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count. | |
Content & MassFrac Smallest | Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count. | |
MassFrac Limit | Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed. | |
MassFrac Largest | Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count. | |
MassFrac Smallest | Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count. | |
Content (Only visible when one of the Content Filter options is selected) |
All | No filtering of species based on element or name. |
Contains Any Element | This will display all species that contain any of the elements entered in their elemental definition. | |
Contains All Elements | This will display only species that contain ALL of the elements entered in their elemental definition. | |
Starts with ... | This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection. | |
Contains any ... | This will display species that contain the text entered in the currently displayed short or long species tag. | |
Contains All ... | This will display species that contain ALL the separate text entered in the currently displayed short or long species tag. | |
Select | Input | Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples. |
MassFrac.Limit | Input | Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed. |
MassFrac.Count | Input | Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed. |
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.) (Each table (one for each phase) has the following columns (one row for each species). ) | ||
MassFlow / Qm | Display | Visible when StreamView = Mass. The mass flow of the species in the feed stream. |
MassFrac / Mf | Display | Visible when StreamView = Mass. The mass fraction of the species in the feed stream. |
PhaseMassFrac / IPh:Mf | Display | Visible when StreamView = Mass. The mass fraction of the species in the displayed phase. |
MoleFlow / QMl | Display | Visible when StreamView = Mole. The mole flow of the species in the feed stream. |
MoleFrac / Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the feed stream. |
PhaseMoleFrac / IPh:Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the displayed phase.
|
Output tab page
Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
Stream Properties Summary | ||
Prod... | ||
Temperature / T | Display | The Temperature of the product solution. This is calculated by AQSol. |
Pressure / P | Display | The Pressure of the product solution. |
MassFlow / Qm | Display | The Mass Flow of the product solution. |
Hf@T | Display | The Enthalpy of the product solution per unit mass. This is calculated by AQSol. |
Enthalpy / totHf@T | Display | The Enthalpy of the product solution. This is calculated by AQSol. |
AqDensity / AqRho | Display | The density of aqueous species (solution) in the final solution. |
SolDensity / SolRho | Display | The density of solid species in the final mixture. |
Density / Rho | Display | The density of all species in the final mixture. |
IonicStrength / I | Display | The molar Ionic Strength of the final solution. |
pH | Display | The pH of the final solution. |
WaterActivity | Display | The water activity of the final solution. |
TotalDissolvedSolids / TDS | Display | The mass concentration of Total Dissolved Solids (total aqueous-water) in the final solution. |
OsmoticPressure / OsmP | Display | The Osmotic Pressure of the final solution as calculated by AQSol. |
pKw | Display | The pKw of the final solution. |
AQSolInput | Copies the "Input" mass flow values onto clipboard. These can be directly copied into the AQSol spreadsheet that came with the DLL. | |
Copy Reverse Mapping Reactions to Clipboard | ||
RevMap.IonRxns | A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard. | |
Prod... | ||
SpeciesName | The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. | |
Zeros | If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow. | |
StreamView | If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view. | |
Stream | Mass | Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. |
Mole | Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. | |
Unmapped Mass | Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. | |
Unmapped Mole | Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. | |
Filter View | ||
Filter | This button will enable or disable the species filter options. | |
ShowUnmapped (Only visible if Filter is enabled) |
Tickbox | When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown. |
Phases (Only visible if Filter is enabled) |
All | No filtering of species based on phase. |
Solids | Only show solid phase species, hide other species. | |
Liquids | Only show liquid phase species, hide other species. | |
Vapours | Only show vapour (gaseous) phase species, hide other species. | |
Solids & Liquids | Only show solid and liquid phase species, hide other species. | |
Solids & Vapours | Only show solid and vapour (gaseous) phase species, hide other species. | |
Liquids & Vapours | Only show liquid and vapour (gaseous) phase species, hide other species. | |
IPhase | Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the {{{TPS}}} database chosen. | |
Filters (Only visible if Filter is enabled) | Content | All species which meet the Phase and Content criteria will be displayed. |
Content & MassFrac Limit | Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed. | |
Content & MassFrac Largest | Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count. | |
Content & MassFrac Smallest | Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count. | |
MassFrac Limit | Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed. | |
MassFrac Largest | Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count. | |
MassFrac Smallest | Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count. | |
Content (Only visible when one of the Content Filter options is selected) |
All | No filtering of species based on element or name. |
Contains Any Element | This will display all species that contain any of the elements entered in their elemental definition. | |
Contains All Elements | This will display only species that contain ALL of the elements entered in their elemental definition. | |
Starts with ... | This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection. | |
Contains any ... | This will display species that contain the text entered in the currently displayed short or long species tag. | |
Contains All ... | This will display species that contain ALL the separate text entered in the currently displayed short or long species tag. | |
Select | Input | Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples. |
MassFrac.Limit | Input | Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed. |
MassFrac.Count | Input | Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed. |
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.) (Each table (one for each phase) has the following columns (one row for each species). Totals for fractions/flows and maximum values for SatIdx are on the last row of each phase section.) | ||
MassFlow / Qm | Display | Visible when StreamView = Mass. The mass flow of the species in the product stream. |
MassFrac / Mf | Display | Visible when StreamView = Mass. The mass fraction of the species in the product stream. |
PhaseMassFrac / IPh:Mf | Display | Visible when StreamView = Mass. The mass fraction of the species in the displayed phase. |
MoleFlow / QMl | Display | Visible when StreamView = Mole. The mole flow of the species in the product stream. |
MoleFrac / Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the product stream. |
PhaseMoleFrac / IPh:Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the displayed phase. |
ActivityCoeff | Display | Only shown for liquid/aqueous species. The activity coefficient of the species. |
SatIdx | Display | Only shown for solid species. The saturation index of the species relative to its equilibrium solubility. |
SatIdx.Eff | Display | Only shown for solid species. The saturation index of the species adjusted for user specified Saturation Index as defined in the AQSol Model Configuration. |
Fugacity | Display | Only shown for gaseous species. The fugacity of the species. |
Fugacity.Eff | Display | Only shown for gaseous species.
|
Diff tab page
This tab is only visible if ShowRxnDiff is ticked. The displayed results are the difference between input and output streams.
Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
Stream Properties Summary | ||
Diff... | ||
Temperature / T | Display | The Temperature difference between the feed and product solutions. |
Pressure / P | Display | The Pressure difference between the feed and product solutions. |
MassFlow / Qm | Display | The Mass Flow difference between the feed and product solutions. |
Hf@T | Display | The Enthalpy difference between the feed and product solutions per unit mass. This is calculated by AQSol. |
Enthalpy / totHf@T | Display | The Enthalpy difference between the feed and product solutions. This is calculated by AQSol. |
Copy Reverse Mapping Reactions to Clipboard | ||
RevMap.IonRxns | A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard. | |
Diff... | ||
SpeciesName | The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. | |
Zeros | If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow. | |
StreamView | If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view. | |
Stream | Mass | Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. |
Mole | Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. | |
Unmapped Mass | Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. | |
Unmapped Mole | Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. | |
Filter View | ||
Filter | This button will enable or disable the species filter options. | |
ShowUnmapped (Only visible if Filter is enabled) |
Tickbox | When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown. |
Phases (Only visible if Filter is enabled) |
All | No filtering of species based on phase. |
Solids | Only show solid phase species, hide other species. | |
Liquids | Only show liquid phase species, hide other species. | |
Vapours | Only show vapour (gaseous) phase species, hide other species. | |
Solids & Liquids | Only show solid and liquid phase species, hide other species. | |
Solids & Vapours | Only show solid and vapour (gaseous) phase species, hide other species. | |
Liquids & Vapours | Only show liquid and vapour (gaseous) phase species, hide other species. | |
IPhase | Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the {{{TPS}}} database chosen. | |
Filters (Only visible if Filter is enabled) | Content | All species which meet the Phase and Content criteria will be displayed. |
Content & MassFrac Limit | Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed. | |
Content & MassFrac Largest | Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count. | |
Content & MassFrac Smallest | Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count. | |
MassFrac Limit | Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed. | |
MassFrac Largest | Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count. | |
MassFrac Smallest | Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count. | |
Content (Only visible when one of the Content Filter options is selected) |
All | No filtering of species based on element or name. |
Contains Any Element | This will display all species that contain any of the elements entered in their elemental definition. | |
Contains All Elements | This will display only species that contain ALL of the elements entered in their elemental definition. | |
Starts with ... | This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection. | |
Contains any ... | This will display species that contain the text entered in the currently displayed short or long species tag. | |
Contains All ... | This will display species that contain ALL the separate text entered in the currently displayed short or long species tag. | |
Select | Input | Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples. |
MassFrac.Limit | Input | Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed. |
MassFrac.Count | Input | Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed. |
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.) (Each table (one for each phase) has the following columns (one row for each species). ) | ||
MassFlow / Qm | Display | Visible when StreamView = Mass. The difference in mass flow of the species. |
MassFrac / Mf | Display | Visible when StreamView = Mass. The difference in mass fraction of the species. |
PhaseMassFrac / IPh:Mf | Display | Visible when StreamView = Mass. The difference in mass fraction of the species in the displayed phase. |
MoleFlow / QMl | Display | Visible when StreamView = Mole. The difference in mole flow of the species. |
MoleFrac / Mlf | Display | Visible when StreamView = Mole. The difference in mole fraction of the species. |
PhaseMoleFrac / IPh:Mlf | Display | Visible when StreamView = Mole. The difference in mole fraction of the species in the displayed phase.
|
Scaling tab page
This tab is only visible if ShowScaling is ticked. This page lists all the Saturation Index for all the solid species in the product.
Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
Scaling ... | ||
SpeciesName | The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. | |
Zeros | If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow. | |
Stream | Copy list of solids species and their Saturation Index to the clipboard, for pasting into external programs such as Excel. | |
Filter View | ||
Filter | This button will enable or disable the species filter options. | |
Phases (Only visible if Filter is enabled) |
Display | Always set to 'Solids'. |
Filters (Only visible if Filter is enabled) |
Display | Always set to 'Content'. |
Content (Only visible if Filter is enabled) |
All | No filtering of species based on element or name. |
Contains Any Element | This will display all species that contain any of the elements entered in their elemental definition. | |
Contains All Elements | This will display only species that contain ALL of the elements entered in their elemental definition. | |
Starts with ... | This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection. | |
Contains any ... | This will display species that contain the text entered in the currently displayed short or long species tag. | |
Contains All ... | This will display species that contain ALL the separate text entered in the currently displayed short or long species tag. | |
Select | Input | Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples. |
(The following table displays the solid AQSol species from the selected database. The table has the following columns (one row per AQSol species.) | ||
SatIdx | Display | The saturation index of the solid species relative to its equilibrium solubility. |
SatIdx.Eff | Display | The saturation index of the solid species adjusted for user specified Saturation Index as defined in the AQSol Model Configuration. |
Solid.MaxSI | Display | The maximum saturation index of any of the AQSol solid species. |
Solid.MaxSI_Sp | Display | The AQSol solid species which has the maximum saturation index. |
Solid.MaxSIEff | Display | The maximum effective saturation index of any of the AQSol solid species. |
Solid.MaxSIEff_Sp | Display | The AQSol solid species which has the maximum effective saturation index. |
AQSolProps tab page
Only displayed once model is successfully run.
Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
Property calculations from AQSol | ||
Enthalpy_of_liquid | Display | AqSol calculated Results |
Enthalpy_of_solid | Display | AqSol calculated Results |
Heat_capacity_of_liquid | Display | AqSol calculated Results |
Bubble_point_pressure | Display | AqSol calculated Results |
pH | Display | AqSol calculated Results |
Mean_ionic_molal_activity_coefficient | Display | AqSol calculated Results |
Water_activity | Display | AqSol calculated Results |
Ionic_strength | Display | AqSol calculated Results |
Density_of_Liquid_phase | Display | AqSol calculated Results |
Density_of_solid_phase | Display | AqSol calculated Results |
ElemBal tab page
This tab performs an element balance between the AQSol Input and Output streams and separately, between the SysCAD Input and Output streams.
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.
IPhDeport tab page
This tab is only visible if IPhaseElemDeportment is ticked. This tab shows the mass movement of elements for each AQSol 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 Feeder |
or |
Group: |
Energy Transfer |
→ |
Units/Links |
→ |
TCE AQSol: AQSol Feeder |
See Model Selection for more information on adding models to the configuration file.
Insert into Project
|
Insert Unit |
→ |
TCE AQSol |
→ |
AQSol Feeder |
See Insert Unit for general information on inserting units.