# PHREEQC Direct Calc Model

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Navigation: Models ➔ TCE Models ➔ PHREEQC Add-On ➔ PHREEQC Direct Calc Model

Latest SysCAD Version: 21 September 2021 - SysCAD 9.3 Build 139.29552

Related Links: PHREEQC SysCAD Project Workflow

First made available in Build 138 (as BETA version). Formally released as part of Build 139. The PHREEQC SysCAD add-on and models documentation is for the latest version of SysCAD.

## General Description

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

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

Notes

1. The user MUST have added and configured a PHREEQC Model Configuration unit in the SysCAD project before this unit can function.
2. The user MUST have installed a version of PHREEQC on their computer to make use of the PHREEQC functionality in SysCAD. Please see wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc for more information.

### Diagram

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

## Inputs and Outputs

There are no connections to this unit.

## Model Theory

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

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

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

The calculations performed are similar to using PHREEQC directly. Please see wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc for more information.

### Calculation of Osmotic Pressure

PHREEQC calculates the activity of water, which is then used to calculate the osmotic pressure by the Van't Hoff formula. The Van't Hoff formula is:

$\Pi=-\frac{RT}{\overline{V}}ln(a_w)$

where $\Pi$ is the osmotic pressure, $\overline{V}$ is the partial molar volume of water (ideal), and $a_w$ is the activity of water (mole fraction basis).

## Workflow

The suggested workflow for configuring the model is:

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

NOTES:

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

## Data Sections

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

1. PHREEQCDirectCalc tab - This first tab allows the user to choose the corresponding PHREEQC Model Configuration unit and set some general options.
2. DInput tab - This tab allows the user to set the final conditions, specify the Input composition and perform calculations.
3. VLE - Optional tab, only visible if the UseSysCADVLE/VLE.On option is enabled on the first tab page.
4. CFE - Optional tab, only visible if the UseCFE option is enabled on the first tab page.
5. PHREEQCResults tab - This tab displays the key results of the calculations.
6. Input tab - This tab displays a summary of the Input stream.
7. Output tab - This tab displays the Output stream results including the amounts of each species present in the final solution.
8. 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.
9. ElemBal tab - This tab displays an elemental balance between the Input and Output streams.
10. SpIonRxns - Optional tab, only visible if the ShowSpIonRebuildRxns option is enabled on the first tab page. This tab shows how ions from the PHREEQC product stream were assembled into SysCAD species.
11. PhDeport/Deportment tab - Optional tab, only visible if the PhaseElemDeportment option is enabled on the first tab page. This tab shows the movement of elements for the Solid, Liquid and Gas phases.
12. 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 PHREEQC phases.
13. UnitTag.ParamSweep tab - Optional tab, only visible if the ShowPlotter option is enabled on the first tab page. This tab allows the user to generate sets of data.
14. SpForPlot tab - Optional tab, only visible if the SelectSp option is enabled on the ParamSweep tab. This tab allows the user to select which species to be reported in the sets of data to be generated.
15. Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.

### PHREEQCDirectCalc tab page

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

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options Tag Display This name tag may be modified with the change tag option. Condition Display OK if no errors/warnings, otherwise lists errors/warnings. ConditionCount Display The current number of errors/warnings. If condition is OK, returns 0. GeneralDescription / GenDesc Display This is an automatically generated description for the unit. If the user has entered text in the 'EqpDesc' field on the Info tab (see below), this will be displayed here. If this field is blank, then SysCAD will display the unit class ID. This program contains PHREEQC Copyright U.S. Geological Survey (USGS) Calculation Mode OpMode... OpMode Temperature The target variable is the Temperature of the final solution. FeedT The target variable is the Temperature of the feed solution. PhaseFormation The target variable is the amount of a particular phase present in the final solution. SpeciesFormation The target variable is the amount of a particular species present in the final solution. TemperatureReqd / T_Reqd Input Only visible if OpMode = Temperature. The user specified target temperature for the final solution. SelPhase... (only visible if OpMode = PhaseFormation or SpeciesFormation) Contains Input Only visible if OpMode = PhaseFormation or SpeciesFormation. Allows user to optionally shorten the Phase Selection list (Phase) by entering in some letters from the desired phase. Phase List Only visible if OpMode = PhaseFormation or SpeciesFormation. The user can select one phase from the list of all phases in the PHREEQC database. The list will not show all phases if user has entered some letters in the Contains field above. SelSp... (only visible if OpMode = SpeciesFormation) Contains Input Only visible if OpMode = SpeciesFormation. Allows user to optionally shorten the Species Selection list (Species) by entering in some letters from the desired species. Species List Only visible if OpMode = SpeciesFormation. The user can select one species from the list of all species in the PHREEQC 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 Contains field above. MoleBasis Tickbox Only visible if OpMode = PhaseFormation or SpeciesFormation. Selecting this tickbox allows user to specify the target mole flow. If this is not selected, then mass flow is used. MassFlowReqd / QmReqd Input Only visible if OpMode = PhaseFormation or SpeciesFormation and MoleBasis = unticked. The user specified mass flow of the chosen phase/species that is to be formed. MoleFlowReqd / QMlReqd Input Only visible if OpMode = PhaseFormation or SpeciesFormation and MoleBasis = ticked. The user specified moles of the chosen phase/species that is to be formed. Detailed Tickbox If enabled, displays additional parameters for the user to specify as explained in the AdjustVar section below. (The following section is only displayed if the Detailed option has been enabled and OpMode = PhaseFormation or SpeciesFormation) AdjustVar... Method AdjustT The chosen independent variable is Temperature. AdjustQMl The chosen independent variable is flow of an individual species. AdjustDuty The chosen independent variable is Duty. 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) Contains Input Only visible if Method = AdjustQMl. Allows user to optionally shorten the Phase Selection list (SelPhase) by entering in some letters from the desired phase. SelPhase List Only visible if Method = AdjustQMl. The user can select one phase from the list of all phases in the PHREEQC database. The list will not show all phases if user has entered some letters in the Contains field above. SelSp... (only visible if Method = AdjustQMl) Contains 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 PHREEQC 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 / MinSpQm Input Only visible if Method = AdjustQMl and MoleBasis is not ticked. The minimum mass flow of the selected species in the final solution. MaxSpMassFlow / MaxSpQm Input Only visible if Method = AdjustQMl and MoleBasis is not ticked. The maximum mass flow of the selected species in the final solution. MinSpMoleFlow / MinSpQMl Input Only visible if Method = AdjustQMl and MoleBasis is ticked. The minimum mole flow of the selected species in the final solution. MaxSpMoleFlow / MaxSpQMl Input Only visible if Method = AdjustQMl and MoleBasis is ticked. The maximum mole flow of the selected species in the final solution. MinDuty Input Only visible if Method = AdjustDuty. The minimum Duty (external energy added or removed from the model). MaxDuty Input Only visible if Method = AdjustDuty. The maximum Duty (external energy added or removed from the model). (The following section is only displayed if the Detailed option has been enabled) 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. PHREEQC Environmental Heat Transfer PHREEQC.HeatLossMethod None No heat transfer between the unit and the environment. Fixed HeatFlow The user specifies a fixed heat loss between the unit and the environment. Ambient SysCAD calculates the overall heat loss based on user specified HTC and Area and the temperature difference between the Feed and environmental temperatures. The environmental temperature is assumed to remain constant. PHREEQC.EHX.HeatLossReqd Input Visible when the HeatLossMethod = Fixed HeatFlow. The required heat loss. PHREEQC.EHX.HTC Input Visible when the HeatLossMethod = Ambient. The Overall Heat Transfer coefficient. PHREEQC.EHX.Area Input Visible when the HeatLossMethod = Ambient. The Heat Transfer area. PHREEQC.EHX.AmbientT Display Visible when the HeatLossMethod = Ambient. The ambient temperature. The ambient temperature is specified in the Plant Model - Environment_Tab PHREEQC.EHX.HeatLoss Calc Visible when the HeatLossMethod = Ambient. The calculated heat flowrate. Chemistry Model ChemModel... UnitTag List The tag of the relevant PHREEQC Model Configuration unit model- this may be chosen from the drop down list of all PHREEQC Model Configuration unit models available in the project. ChemModel.Selected Display The tag of the relevant PHREEQC Model Configuration unit model. Check If the user clicks on this button, SysCAD will check that the UnitTag is a valid PHREEQC Model Configuration unit model. ConnOK Tickbox If SysCAD finds a valid PHREEQC Model Configuration unit model, then this field will be enabled. Status OK The specified chemistry model (PHREEQC 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 (PHREEQC 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 (PHREEQC Model Configuration) needs to be initialised. ChemModel Load Required The database of the specified Chemistry Model ((PHREEQC Model Configuration) needs to be loaded. DLL or Version Error There is a problem with the PHREEQC DLL or version. Init Failed Initialisation of the specified Chemistry Model ((PHREEQC Model Configuration) has been attempted but failed. UseSysCADVLE / VLE.On Tickbox This can be used to switch on the SysCAD Vapour Liquid Equilibrium (VLE) calculator. If this is 'On' then the associated page, VLE becomes visible and may be configured. UseCFE Tickbox If this is ticked, then the CFE (Constrained Free Energy) tab page will appear. If CFE is not available, this ticked box will be greyed out. 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. 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. ShowSpIonRebuildRxns Tickbox If this is ticked, then the SpIonRxns tab page will appear. This lists the reactions of ions to form species and their extents. 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 PHREEQC calculation results. ShowPlotter Tickbox This option is only visible after a calculation has been successfully performed. If this is ticked, then the ParamSweep tab page will appear. CopyPHREEQCInputToClipboard When this button is pressed, user can select to copy the Feed or Product information to clipboard. Calculate Click on this button to perform a calculation to determine the conditions of the final solution, including enthalpy, based on the specified operating conditions.

### DInput tab page

This tab is used to define the Inputs for the PHREEQC calculation, including the composition in terms of PHREEQC species. It also includes a button to perform calculations.

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options PasteFromClipboard Click on this button to paste data copied from another PHREEQC stream (using the 'CopyToClipboard' button). The stream may be in the current SysCAD project, or another project. Transfer Click on this button to transfer the inputs specified on the DInput tab page to the Input tab page. StreamView If the Mass button is clicked, the PHREEQC species will be entered/displayed in mass flow view. If the Mole button is clicked, the PHREEQC species will be entered/displayed in mole flow view. Temperature / T Input The required temperature of the aqueous solution. Pressure / P Input The required pressure of the aqueous solution. DFeed... 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. (The following tables allow the user to specify the composition of the Input by specifying the mass or mole of the individual PHREEQC 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 PHREEQC 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 PHREEQC 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.

### CFE tab page

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.
 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options Constrained Free Energy (CFE) Configuration CFE... 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. 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 PHREEQC database chosen. Filters Display Always set to 'Content'. Content(Only visible if Filter is enabled) All No filtering of species based on element or name. Contains Any Element This will display all species that contain any of the elements entered in their elemental definition. Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition. Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection. Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag. Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag. Select Input Only visible if Filter is enabled and Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples. (The following tables (one per phase) display the PHREEQC 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 PHREEQC 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).

### PHREEQCResults tab page

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options PHREEQC Calculation Results Summary Feed Massflow Summary Unmapped.MassFlow / Qm Display The mass flow of material in the feed which is not mapped to a species. PHREEQC.Feed.MassFlow / Qm Display The mass flow of material in the feed to the PHREEQC calculation. PHREEQC.MdlBlk.Feed /Feed.MassFlow / Qm Display The total feed mass flow to the PHREEQC model block. Stream Properties Summary Prod... Temperature / T Display The Temperature of the final solution. Pressure / P Display The Pressure of the final solution. 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. Alkalinity Display The alkalinity 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. ElecConductivity / kappa@T Display The electric conductivity of the final solution. pKw Display The pKw of the final solution. Feed... Feed Phase Flowrate Summary PhaseZeros 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 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 PHREEQC.HeatFlow Display Bypass.HeatFlow Display 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. 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 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 / TotHf@T Display The Enthalpy of the feed solution. This is calculated using the SysCAD enthalpy context. 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 PHREEQC 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 / TotHf@T Display The Enthalpy of the product solution. This is calculated using the SysCAD enthalpy context. AqDensity / AqRho Display The density of aqueous species (solution) in the final solution. IonicStrength / I Display The molal Ionic Strength of the final solution, based on the molality (moles/mass of H2O) and charge of the individual ions. pH Display The pH of the final solution. Alkalinity Display The alkalinity 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. Please refer to Model Theory - Calculation of Osmotic Pressure for more information. ElecConductivity / kappa@T Display The electric conductivity of the final solution. pKw Display The pKw of the final solution. IonRebuildRxns 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 PHREEQC 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 / TotHf@T Display The Enthalpy difference between the feed and product solutions. This is calculated using the SysCAD enthalpy context. 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 PHREEQC 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 PHREEQC Input and Output streams.

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options ElemBal... Tol.SigDigits Input Tol.Rel Input PHREEQC... ElementBalanceView If the Mass button is clicked, the elements will be shown in mass flow view.If the Mole button is clicked, the elements will be shown in mole flow view. Zeros If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow. PHREEQC 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 PHREEQC Input stream. FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the PHREEQC Output stream. AbsErr / Qm.Err Display Visible when ElementBalanceView = Mass. The difference in mass flow of the element between the PHREEQC Output and Input streams. FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the PHREEQC Input stream. FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the PHREEQC Output stream. AbsErr / QMl.Err Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the PHREEQC Output and Input streams. RelErr Display The relative difference in flow of the element between the PHREEQC Output and Input streams, relative to the Input stream.

### SpIonRxns tab page

This tab is only visible if ShowSpIonRebuildRxns is ticked.

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options Ion to Species Rebuild Reactions (The following table displays the molar extents for each Ion to Species Rebuild reaction.)(The table has the following columns (one row for each reaction):) Reaction Display The Ion to Species Rebuild Reaction will be listed here. Extent Calc The molar extent of the reaction.

### PhDeport tab page

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

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

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options IPD... ElementBalanceView If the Mass button is clicked, the elements will be shown in mass flow view.If the Mole button is clicked, the elements will be shown in mole flow view. Zeros If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow. PHREEQC.... PHREEQC 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 PHREEQC phase of the Input stream. FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the selected PHREEQC phase of the Output stream. Change / Qm.Chng Display Visible when ElementBalanceView = Mass. The change in mass flow of the element between the selected PHREEQC phase of the Output and Input streams. FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the selected PHREEQC phase of the Input stream. FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the selected PHREEQC phase of the Output stream. Change / QMl.Chng Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the selected PHREEQC phase of the Output and Input streams. RelChange Display The relative change in flow of the element between the selected PHREEQC phase of the Output and Input streams, relative to the Input stream.

### ParamSweep tab page

This tab is only visible if ShowPlotter is ticked and a calculation has been successfully performed (ie, performed a calculation by pressing the Calculate button on the PHREEQCDirectCalc tab page with no errors).

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

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options Use tools on this page to generate tabular data on clipboard from parameter sweep ParamSweep... Method AdjustT The chosen independent variable is Temperature. AdjustQMl The chosen independent variable is flow of an individual species. MinTemperature / MinT Input Only visible if Method = AdjustT. The minimum temperature of the final solution in the data set. MaxTemperature / MaxT Input Only visible if Method = AdjustT. The maximum temperature of the final solution in the data set. SelPhase... Contains Input Only visible if Method = AdjustQMl. Allows user to optionally shorten the Phase Selection list (SelPhase) by entering in some letters from the desired phase. SelPhase List Only visible if Method = AdjustQMl. List of available phases to choose from. The list will not show all phases if user has entered some letters in the Contains field above. SelSp... Contains Input Only visible if Method = AdjustQMl. Allows user to optionally shorten the Species Selection list (TargetSpAdjust) by entering in some letters from the desired species. TargSpAdjust List Only visible if Method = AdjustQMl. The user can select a single species from the list of all species in the PHREEQC database to have its flow varied. The list will be limited to those in the selected phase (SelPhase) and will not show all species if user has entered some letters in the 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 / MinSpQm / 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 / MaxSpQm / 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 / MinSpQMl / QMlMin Input Only visible if Method = AdjustQMl and MoleBasis is ticked. The minimum mole flow of the selected species in the final solution. MaxSpMoleFlow / MaxSpQMl / QMlMax Input Only visible if Method = AdjustQMl 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 SpForPlot 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 SpForPlot 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 SpForPlot tab. Select Properties For Output PropertiesCount / PropsCount Input The number of properties to be included in the reported data set. PropX List The property to be reported from the list of available properties. Note: This field is only visible if the entry for NumPropsForOutput is greater then 0. If there is one property then X=1. If there are two properties, then X=1 and X=2, etc.

### SpForPlot tab page

This tab is only visible if the SelectSp option is enabled on the ParamSweep tab. It allows the user to select which species to be reported in the sets of data to be generated.

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options SpForPlot... SpeciesName The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. SelectVisible User can select all the species which are currently visible in the access window. The ones that are visible may be limited by use of the Filter (see options below). UnselectVisible User can unselect all the species which are currently visible in the access window. The ones that are visible may be limited by use of the Filter (see options below). Filter View Filter This button will enable or disable the species filter options. ShowUnmapped(Only visible if Filter is enabled) Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown. Phases(Only visible if Filter is enabled) All No filtering of species based on phase. Solids Only show solid phase species, hide other species. Liquids Only show liquid phase species, hide other species. Vapours Only show vapour (gaseous) phase species, hide other species. Solids & Liquids Only show solid and liquid phase species, hide other species. Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species. Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species. IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the PHREEQC database chosen. Filters Display Always set to 'Content'. Content(Only visible if Filter is enabled) All No filtering of species based on element or name. Contains Any Element This will display all species that contain any of the elements entered in their elemental definition. Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition. Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection. Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag. Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag. Select Input Only visible if Filter is enabled and Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples. (The following tables (one per phase) display the PHREEQC species from the selected database. The user can select any number of species.)(Each table has the following column (one row per PHREEQC species):) Select Tickbox The properties (selected on the ParamSweep tab) of the selected species will be reported when the Generate function (ParamSweep tab) is used. SetAll...(displayed at the end of each phase) SelectAll User can select all the species in the relevant phase. UnselectAll User can unselect all the species in the relevant phase.

## Adding this Model to a Project

Insert into Configuration file

Sort either by DLL or Group.

 DLL: ScdPHREEQC.dll → Units/Links → PHREEQC: PHREEQC DirectCalc or Group: General → Units/Links → PHREEQC: PHREEQC DirectCalc

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

Insert into Project

 Insert Unit → PHREEQC → PHREEQC DirectCalc

See Insert Unit for general information on inserting units.