Common Third Party Software Interface functionality
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Contents
Species Mapping
Each of the thermodynamic engines that link to SysCAD require mapping to convert a SysCAD stream into a representation suitable for the thermodynamic engine. In general, mapping between SysCAD species and ions, and species contained within the thermodynamic model, consists of two steps:
- Forward Mapping is used to convert SysCAD species to species within the thermodynamic model
- Reverse Mapping is used to convert calculated speciation from the thermodynamic model solution back into SysCAD species.
Forward Mapping
The following applies in Forward Mapping:
- All non aqueous species will be mapped using direct mapping. The exception to this rule is AQSol, where all non-aqueous species are broken down.
- Aqueous species will be mapped using (in order of priority):
- direct mapping, if possible
- ion mapping, if possible, using ions in the IonList file
- All aqueous species which do not have a direct mapping, but have a corresponding ion breakdown pathway, will be broken down into ions using the IonList file
- Any species which do not have direct mapping or ion mapping to the thermodynamic engine will be bypassed and a warning will be issued to the user.
- The Ionlist file is stored in the SysCADxxx\BaseFiles folder or within the project cfgfiles folder.
- Please note that ChemApp only uses direct mapping, Ionlist is not used.
Reverse Mapping
The following applies in Reverse Mapping:
- Used when TPS species need to be converted back into SysCAD species, such as the TPS_Reactor. (Note that reverse mapping is not required if the reactor is in side calculation mode.)
- Direct mappings are done in a similar way to forward mapping
- Reverse Mapping steps:
- Product ions are first broken down using ionic breakdowns to their primary ions. Primary ions are ions which cannot break down further.
- The primary ions are then used to generate SysCAD species by a user-selected algorithm (selected from the TPS_ModelCfg model, AppSpRebuild tab )
- Overall heat balance for the unit is based upon streams, not ions, so technique is valid
The user-selected algorithms are:
- Simple extent of reaction
- Using initial vector of primary ions, determine which reversed breakdown reactions, i.e. formation reactions, have the greatest possible extent
- For greatest possible extent, we completely consume the limiting reagent
- Salts first (recommended method)
- Now we first process only species which are salts, i.e. do not contain H+ or OH-
- For this smaller group, do as per Simple extent of reaction
- Then do the same for acids/bases, i.e. those that contain H+, OH-
NOTES:
- Acids and bases will react violently to form a salt in almost all cases
- Therefore, must prioritize salts to avoid possibility of forming bases and acids together
- Please see example 2 below for a reverse mapping example containing brine.
- In both algorithms, the last reaction to be executed is always the formation of water from H+ and OH-.
Example 1:
| Feed to Reactor | Product reverse mapping using Simple extent of reaction |
Product reverse mapping using Salts first |
|---|---|---|
Ca++ = 1 mole SO4-- = 2 moles Na+ = 1 mole H+ = 1 mole |
Results order is:
Ca++ + SO4-- = CaSO4 H+ + 0.5 SO4-- = 0.5 H2SO4 Na+ + 0.5 SO4-- = 0.5 Na2SO4 |
Resulting order is:
Ca++ + SO4-- = CaSO4 Na+ + 0.5 SO4-- = 0.5 Na2SO4 H+ + 0.5 SO4-- = 0.5 H2SO4 |
Example 2:
- Using an AQSol example, we have the following feed: 55% Water, 15% H2SO4 and 30% NaCl. The resulting SysCAD species are quite different depending on the reverse mapping algorithm selected, as shown in the following table. P_003 is the feed, P_004 is the product.
| Product reverse mapping using Simple extent of reaction |
Product reverse mapping using Salts first |
Comments |
|---|---|---|
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QFeed Tabs
This is only shown when ShowQFeed is ticked. This is a series of tabs showing the QFeed stream. The stream information is described in Material Flow Section
VLE Tab
This tab is only visible when UseSysCADVLE is ticked. It shows the VLE calculations done. See VLE Submodel.
CFE Tab
This tab is only visible if the UseCFE option is enabled on the first tab page.
- This option allows a portion of a species to be locked up and not allowed to react.
- Applying CFE can have a significant effect on the final composition, use of this feature requires detailed knowledge of the process chemistry.
- CFE is supported in ChemApp and PHREEQC only at this time
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| Constrained Free Energy (CFE) Configuration | ||
| CFE... | ||
| Filter |   |
This button will enable or disable the species filter options. |
| FilterType (Only visible if Filter is enabled) |
Phase | Filter species by phase. |
| Liquid-HideIons | Only show liquid species with neutral charge. Hide other species including liquid ions. | |
| PhApplyToAll | Tickbox | Only visible if FilterType = Phase. When enabled, the following phase options will be enabled, and all species/ions will be displayed. When disabled, the following phase options will be also be disabled, and all species/ions will be hidden. |
| XXX.Selected / XXX.Sel | Tickbox | Only visible if FilterType = Phase. XXX is the name of the phase in ChemApp. There will be a tick box for each ChemApp phase present. If enabled, the selected phase will be displayed, otherwise they will be hidden. |
| (The following tables (one per phase) display the ChemApp species from the selected database. The user can set the Inert Fraction for each species. Note that liquid ions are not shown on this page as the Inert Fractions cannot be set for them.) (Each table has the following column (one row per ChemApp species):) | ||
| InertFrac | Input | The user specified fraction of the species that is considered inert, ie. cannot react to form other species/ions. The presence of the inert fraction is still taken into account when calculating stream properties. This is only available as an input for molecular species (not ions). |
Bypass Tab
This tab is only visible if the WithBypass option is enabled on the first tab page. This will allow some or all of the SysCAD species to bypass the thermodynamic engine calculations.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| Filter | |
This button will enable or disable the species filter options. |
| Phases | List | Only visible if Filter is enabled. List of phases to display. Options described in Species Filter. |
| Bypass... | ||
| GroupValue | Input | The user specified bypass value that will be used for all species displayed when the Set to GroupValue button is pressed. |
| SetVisible |  |
When pressed, this button will set the bypass parameter for all species currently displayed (based on Filter settings) equal to the GroupValue. |
| SysCAD Feed Stream Bypass | ||
| (The following table displays all the SysCAD species in the project (unless restricted by the Filter settings). The table has the following column (one row per SysCAD species):) | ||
| Bypass.XXX | Input | The user specified Bypass fraction for SysCAD species XXX. A non-zero value will allow some or all (100%) of the SysCAD species to bypass the thermodynamic engine calculations. |
Results Tab
This is written generically, and thus, uses the word TPS to represent a third party software. In a unit operation, TPS would be replaced with the name of the software being used, i.e. ChemApp, PHREEQC, AQSol, or OLI.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| Calculation Results Summary | ||
| Feed Massflow Summary | ||
| Bypass.MassFlow / Qm | Display | The mass flow of material in the feed which bypasses the calculation. |
| Unmapped.MassFlow / Qm | Display | The mass flow of material in the feed which is not mapped to a species. |
| TPS.Feed.MassFlow / Qm | Display | The mass flow of material in the feed to the calculation. |
| Feed.MassFlow / Qm | Display | The total feed mass flow. |
| Stream Properties Summary | ||
| Prod... | ||
| Temperature / T | Display | The Temperature of the final solution. |
| Pressure / P | Display | The Pressure of the final solution. |
| Enthalpy / [email protected] | Display | The Enthalpy of the final solution. |
| 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. |
| The following properties only show when there is a valid aqueous stream detected. Not all properties are shown for every third party software. | ||
| AqDensity / AqRho | Display | The density of aqueous species (solution) in the final solution. |
| IonicStrength / I | Display | The molar Ionic Strength of the final solution. |
| pH | Display | The pH 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. |
| CheckpKwOfEqmSolution |  |
If the user clicks on this button, SysCAD will check pKw. |
| pKw | Display | The pKw of the final solution. |
| 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. |
| Summary... | ||
| Calculation Summary | ||
| LastCalcType | Display | This displays the type of calculation (Temperature, Enthalpy, PhaseAppearance or PhaseDisappearance) used for the last calculation. |
| LastCalcTime | Display | The amount of time taken to calculate the last set of conditions. |
| OpenFile |  |
If the user clicks on this button, SysCAD will open the IonList.txt file in a text editor. |
| 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
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| Stream Properties Summary | ||
| Feed... | ||
| Temperature / T | Display | The Temperature of the feed solution. |
| Pressure / P | Display | The Pressure of the feed solution. |
| Enthalpy / [email protected] | Display | The Enthalpy of the feed solution. |
| Feed... | ||
| ShowUnmapped | Tickbox | If ticked, all species will be shown. If not ticked, only those species which are mapped to SysCAD species or ions will be shown. |
| Filter View | ||
| Filter | |
This button will enable or disable the species filter options. |
| FilterType (Only visible if Filter is enabled) |
Phase | Filter species by phase. |
| Liquid-HideIons | Only show liquid species with neutral charge. Hide other species including liquid ions. | |
| PhApplyToAll | Tickbox | Only visible if FilterType = Phase. When enabled, the following phase options will be enabled, and all species/ions will be displayed. When disabled, the following phase options will be also be disabled, and all species/ions will be hidden. |
| XXX.Selected / XXX.Sel | Tickbox | Only visible if FilterType = Phase. XXX is the name of the phase. There will be a tick box for each phase present. If enabled, the selected phase will be displayed, otherwise they will be hidden. |
| 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. | |
| (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 each species in the feed stream. |
| MassFrac / Mf | Display | Visible when StreamView = Mass. The mass fraction of the species in the total 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 each species in the feed stream. |
| MoleFrac / Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the total feed stream. |
| PhaseMoleFrac / IPh:Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the displayed phase. |
Output Tab
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| Stream Properties Summary | ||
| Prod... | ||
| Temperature / T | Display | The Temperature of the product solution. |
| Pressure / P | Display | The Pressure of the product solution. |
| Enthalpy / [email protected] | Display | The Enthalpy of the product solution. |
| HeatLoss | Display | The environmental heat loss. |
| HeatFlow | Display | The heat flow required to achieve the product solution conditions relative to the feed solution. Includes environmental heat loss if applicable. |
| The following properties only show when there is a valid aqueous stream detected. Not all properties are shown for every third party software. | ||
| AqDensity / AqRho | Display | The density of aqueous species (solution) in the final solution. |
| IonicStrength / I | Display | The molar Ionic Strength of the final solution. |
| pH | Display | The pH 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. |
| CheckpKwOfEqmSolution | |
If the user clicks on this button, SysCAD will check pKw. |
| pKw | Display | The pKw of the final solution. |
| Prod... | ||
| ShowUnmapped | Tickbox | If ticked, all species will be shown. If not ticked, only those species which are mapped to SysCAD species or ions will be shown. |
| Filter View | ||
| Filter | |
This button will enable or disable the species filter options. |
| FilterType (Only visible if Filter is enabled) |
Phase | Filter species by phase. |
| Liquid-HideIons | Only show liquid species with neutral charge. Hide other species including liquid ions. | |
| PhApplyToAll | Tickbox | Only visible if FilterType = Phase. When enabled, the following phase options will be enabled, and all species/ions will be displayed. When disabled, the following phase options will be also be disabled, and all species/ions will be hidden. |
| XXX.Selected / XXX.Sel | Tickbox | Only visible if FilterType = Phase. XXX is the name of the phase. There will be a tick box for each phase present. If enabled, the selected phase will be displayed, otherwise they will be hidden. |
| 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. | |
| (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 each species in the feed stream. |
| MassFrac / Mf | Display | Visible when StreamView = Mass. The mass fraction of the species in the total 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 each species in the feed stream. |
| MoleFrac / Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the total feed stream. |
| PhaseMoleFrac / IPh:Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the displayed phase. |
| ActivityCoeff/Fugacity | Display | The activity coefficient or fugacity (gaseous) of the species. |
Diff Tab
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 of the feed solution. |
| Pressure / P | Display | The Pressure of the feed solution. |
| Enthalpy / [email protected] | Display | The Enthalpy of the feed solution. |
| Diff... | ||
| ShowUnmapped | Tickbox | If ticked, all species will be shown. If not ticked, only those species which are mapped to SysCAD species or ions will be shown. |
| Filter View | ||
| Filter | |
This button will enable or disable the species filter options. |
| FilterType (Only visible if Filter is enabled) |
Phase | Filter species by phase. |
| Liquid-HideIons | Only show liquid species with neutral charge. Hide other species including liquid ions. | |
| PhApplyToAll | Tickbox | Only visible if FilterType = Phase. When enabled, the following phase options will be enabled, and all species/ions will be displayed. When disabled, the following phase options will be also be disabled, and all species/ions will be hidden. |
| XXX.Selected / XXX.Sel | Tickbox | Only visible if FilterType = Phase. XXX is the name of the phase. There will be a tick box for each phase present. If enabled, the selected phase will be displayed, otherwise they will be hidden. |
| 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. | |
| (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 each species in the feed stream. |
| MassFrac / Mf | Display | Visible when StreamView = Mass. The mass fraction of the species in the total 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 each species in the feed stream. |
| MoleFrac / Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the total feed stream. |
| PhaseMoleFrac / IPh:Mlf | Display | Visible when StreamView = Mole. The mole fraction of the species in the displayed phase. |
ParamSweep Tab
This tab allows the user to perform multiple calculations to generate a set of data. The data can be copied and pasted into external programs such as Excel to allow the data to be plotted and analysed.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| Use tools on this page to generate tabular data from parameter sweep | ||
| ParamSweep... | ||
| IndVar | Temperature | The chosen independent variable is Temperature. |
| Species | The chosen independent variable is flow of an individual species. | |
| MinTemperature / MinT | Input | Only visible if IndVar = Temperature. The minimum temperature of the final solution in the data set. |
| MaxTemperature / MaxT | Input | Only visible if IndVar = Temperature. The maximum temperature of the final solution in the data set. |
| TargSpAdjust | List | Only visible if IndVar = Species. The user can select a single species from the list of all species in the third party software database to have its flow varied. |
| MoleBasis | Tickbox | 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 / MinSpQm | Input | Only visible if IndVar = Species and MoleBasis is not ticked. The minimum mass flow of the selected species in the final solution. |
| MaxSpMassFlow / MaxSpQm | Input | Only visible if IndVar = Species and MoleBasis is not ticked. The maximum mass flow of the selected species in the final solution. |
| MinSpMoleFlow / MinSpQMl | Input | Only visible if IndVar = Species and MoleBasis is ticked. The minimum mole flow of the selected species in the final solution. |
| MaxSpMoleFlow / MaxSpQMl | Input | Only visible if IndVar = Species and MoleBasis is ticked. The maximum mole flow of the selected species in the final solution. |
| StepSize | Input | The step size between each data point. If the user changes this value, then SysCAD will automatically adjust DataPoints (Below). (=(Max-Min)/(DataPoints-1)) |
| DataPoints | Input | The number of calculations to perform/rows of data to generate. If the user changes this value, then SysCAD will automatically adjust StepSize (Above). (=(Max-Min)/StepSize + 1) |
| IndVarRanges |  |
If the user clicks on this button, the inputs for the independent variable limits will be reset to their default values. (Applied to the temperature option only). |
| PlotDataCreate |  |
If the user clicks on this button, SysCAD will perform the requested calculations based on the chosen parameters, to generate the required data. |
| PlotDataTable |  |
If the user clicks on this button, SysCAD will perform the requested calculations based on the chosen parameters, to generate the required data. SysCAD will also copy the generated data to the clipboard, allowing it to be pasted into an external program such as MS Excel. |
| Select Dependent Variables for Output | ||
| SelectSpecies / SelectSp | Tickbox | Allows the user to select species to be reported. If this option is enabled, the SelectSpForPlot tab will appear. |
| ShowActCoeff / ShowAC | Tickbox | Only visible if the SelectSp option is available. If this option is enabled, the activity coefficients of the species selected on the SelectSpForPlot tab will be reported. |
| HideZeros | Tickbox | Only visible if the SelectSp option is available. If this option is enabled, the outputted table will be filtered so that only species which have a non-zero value in any of the calculations in the sweep will be shown in the table. |
| SelectedSpCount | Display | Only visible if the SelectSp option is available. The number of species selected on the SelectSpForPlot tab. |
| Select Properties For Output | ||
| PropertiesCount / PropsCount | Input | The number of properties to be included in the reported data set. |
| PropX | List | The property to be reported from the list of available properties. Note: This field is only visible if the entry for NumPropsForOutput is greater then 0. If there is one property then X=1. If there are two properties, then X=1 and X=2, etc. |
SelectSpForPlot Tab
This tab is only visible if the SelectSp option is enabled on the ParamSweep tab. It allows the user to select which species to be reported in the sets of data to be generated.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| SelectSpForPlot... | ||
| Show Unmapped | ||
| ShowUnmapped | Tickbox | If ticked, all species will be shown. If not ticked, only those species which are mapped to SysCAD species or ions will be shown. |
| Filter View | ||
| Filter | |
This button will enable or disable the species filter options. |
| FilterType (Only visible if Filter is enabled) |
Phase | Filter species by phase. |
| Liquid-HideIons | Only show liquid species with neutral charge. Hide other species including liquid ions. | |
| ContainsElem | Only show species with the specified element(s). | |
| PhApplyToAll | Tickbox | Only visible if FilterType = Phase. When enabled, the following phase options will be enabled, and all species/ions will be displayed. When disabled, the following phase options will be also be disabled, and all species/ions will be hidden. |
| XXX.Selected / XXX.Sel | Tickbox | Only visible if FilterType = Phase. "XXX" is the name of the phase in ChemApp. There will be a tick box for each ChemApp phase present. If enabled, the selected phase will be displayed, otherwise they will be hidden. |
| Elements | Input | Only visible if FilterType = ContainsElem . User specifies the required Element, multiple elements can be entered, separated by commas. |
| ApplyFilter |  |
Only visible if FilterType = ContainsElem . Press the button to Apply the element filter. |
| SelectAll | Tickbox | User can select / deselect all the species using this tickbox. |
| SelectAllPhases | Tickbox | User can select / deselect all the phases using this tickbox. |
| (The following tables (one per phase) display the ChemApp species from the selected database. The user can select any number of species.) (Each table has the following column (one row per ChemApp species):) | ||
| Select | Tickbox | The properties (selected on the ParamSweep tab) of the selected species will be reported when the Generate function (ParamSweep tab) is used. |
ElemBal Tab
This tab performs an element balance between the TPS Input and Output streams and separately, between the SysCAD Input and Output streams (if appropriate). SysCAD input and output streams are only relevant for reactor and side calculation unit operations.
This is written generically, and thus, uses the word TPS to represent a third party software. In a unit operation, TPS would be replaced with the name of the software being used, i.e. ChemApp, PHREEQC, AQSol, or OLI.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| ElemBal... | ||
| TPS... | ||
| TPS Element Balance | ||
| (The following table displays the mass flows, and absolute and relative errors of the individual elements.) The table has the following columns (one row for each element): | ||
| FlowIn | Display | The mass flow of the element in the TPS Input stream. |
| FlowOut | Display | The mass flow of the element in the TPS Output stream. |
| AbsErr | Display | The difference in mass flow of the element between the TPS Output and Input streams. |
| RelErr | Display | The difference in mass flow of the element between the TPS Output and Input streams, relative to the Input stream. |
| Please note that the following section does not apply for the DirectCalc Model. | ||
| Scd... | ||
| SysCAD Element Balance | ||
| (The following table displays the mass flows, and absolute and relative errors of the individual elements.) The table has the following columns (one row for each element): | ||
| FlowIn | Display | The mass flow of the element in the SysCAD Input stream. |
| FlowOut | Display | The mass flow of the element in the SysCAD Output stream. |
| AbsErr | Display | The difference in mass flow of the element between the SysCAD Output and Input streams. |
| RelErr | Display | The difference in mass flow of the element between the SysCAD Output and Input streams, relative to the Input stream. |
Deportment Tab
This tab shows the mass movement of elements for the Solid, Liquid and Gas phases.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| Deportment... | ||
| Solid... | ||
| Solid Phase Element Deportment | ||
| (The following table displays the mass flows, and absolute and relative change of the individual elements.) The table has the following columns (one row for each element): | ||
| FlowIn | Display | The mass flow of the element in the solid phase of the Input stream. |
| FlowOut | Display | The mass flow of the element in the solid phase of the Output stream. |
| AbsChange | Display | The difference in mass flow of the element between the solid phase of the Output and Input streams. |
| RelChange | Display | The difference in mass flow of the element between the solid phase of the Output and Input streams, relative to the Input stream. |
| Liquid... | ||
| Liquid Phase Element Deportment | ||
| (The following table displays the mass flows, and absolute and relative change of the individual elements.) (The table has the following columns (one row for each element):) | ||
| FlowIn | Display | The mass flow of the element in the liquid phase of the Input stream. |
| FlowOut | Display | The mass flow of the element in the liquid phase of the Output stream. |
| AbsChange | Display | The difference in mass flow of the element between the liquid phase of the Output and Input streams. |
| RelChange | Display | The difference in mass flow of the element between the liquid phase of the Output and Input streams, relative to the Input stream. |
| Gas... | ||
| Gas Phase Element Deportment | ||
| (The following table displays the mass flows, and absolute and relative change of the individual elements.) (The table has the following columns (one row for each element):) | ||
| FlowIn | Display | The mass flow of the element in the gas phase of the Input stream. |
| FlowOut | Display | The mass flow of the element in the gas phase of the Output stream. |
| AbsChange | Display | The difference in mass flow of the element between the gas phase of the Output and Input streams. |
| RelChange | Display | The difference in mass flow of the element between the gas phase of the Output and Input streams, relative to the Input stream. |
QUnmapped Tabs
This is only shown when ShowQUnmapped is ticked. This is a series of tabs showing the QUnmapped stream. The stream information is described in Material Flow Section
QBypass Tabs
This is a series of tabs showing the QBypass stream. The stream information is described in Material Flow Section
QProd Tabs
This is only shown when ShowQProd is ticked. This is a series of tabs showing the QProd stream. The stream information is described in Material Flow Section
