# PHREEQC Reverse Osmosis Unit

Navigation: Models ➔ TCE Models ➔ PHREEQC Add-On ➔ PHREEQC Reverse Osmosis Unit

## General Description

The PHREEQC solver is called to determine the state of a SysCAD stream. The composition, temperature and pressure of the 'Feed' stream are based on the feed to the unit. The unit will then determine the equilibrium conditions of the resulting stream.

• This model is designed to simulate a reverse osmosis membrane process, often used in water treatment, especially for desalination of sea water.
• The user may specify the yield and efficiency of the process, as well as the outlet pressure requirements.
• The unit expects the feed to be free of solids. If solids are fed to the unit, the user will receive a warning and any solids will be sent to the Brine stream.
• If a vent stream is connected, then all gases will exit via the Vent. If gases are present and there is no vent connection then the user will receive a warning and all gases will be sent to the Brine stream.

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 default drawing of the Reverse Osmosis unit with connecting streams.
• The physical location of the streams connecting to the unit is unimportant. The user may connect the streams to any position on the unit.
• When inserting a Reverse Osmosis unit into a flowsheet, the user may choose a different symbol from the menu.

## Inputs and Outputs

 Label RequiredOptional InputOutput Number of Connections Description Min Max. Feed Required In 1 20 Inlet liquid feed stream to the unit, usually water with dissolved salts. Product Required Out 1 1 Outlet product stream of the unit, usually purified water. Brine Required Out 1 1 Outlet brine or waste stream of the unit. Vent Optional Out 0 1 Optional gas outlet from the unit.

## Behaviour when Model is OFF

If the user disables the unit, by un-ticking the On tick box, then the following actions occur:

• All feed material will flow straight out of the Brine outlet;
• No material will flow out of the Product or Vent outlets;
• No sub-models will be called.

So basically, the unit will be 'bypassed' without the user having to change any connections.

## Model Theory

The PHREEQC Reverse Osmosis Model uses the PHREEQC algorithms and data to determine the status of the aqueous solution.

Mapping of SysCAD to PHREEQC streams is done as illustrated below.

The streams are mixed using the SysCAD enthalpy context prior to being loaded into PHREEQC.

The PHREEQC Reverse Osmosis can be incorporated into a SysCAD flowsheet, it can be connected with SysCAD inlet and outlet streams.

1. User connects the PHREEQC Reverse Osmosis with SysCAD input streams,
2. The SysCAD feed stream(s) using SysCAD species is converted into PHREEQC "Input" using PHREEQC Species. The species mapping is defined in the corresponding PHREEQC Model Configuration unit model.
3. The PHREEQC Reverse Osmosis calls the PHREEQC algorithms to determine the status of the mixture using the converted PHREEQC "input" data.
4. The PHREEQC results are displayed in the "output" tab using PHREEQC species.

NOTES:

• The Input, Output and Diff tab pages are displayed using PHREEQC species, as defined in the PHREEQC database file (.dat) specified in the corresponding PHREEQC Model Configuration unit model.
• The species used in the SysCAD project are shown on the optional Sp pages, shown as part of the QFeed, QBypass, QUnmapped, QRxnProdBypass and QProd pages.
• The calculations performed are similar to using PHREEQC directly, except the contents of the SysCAD stream are mapped to equivalent PHREEQC species using the settings defined in the PHREEQC Model Configuration unit model. 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:

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

where $\displaystyle{ \Pi }$ is the osmotic pressure, $\displaystyle{ \overline{V} }$ is the partial molar volume of water (ideal), and $\displaystyle{ a_w }$ 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 you would like to use for the PHREEQC Reverse Osmosis.
2. On the PHREEQCReverse Osmosis Tab Page, select the correct "ChemModel" (to match step 1)
3. Configure the model - methods, pressures (if applicable)
4. Select any sub-models
5. Perform an equilibrium calculation by pressing Solve in SysCAD.
6. The Results are displayed in the PHREEQCResults and Output tabs.
7. Check and fix any species mapping issues. (PHREEQC resulting species may change if the operating conditions change, so it is likely a change of temperature or feed composition will result in different PHREEQC species.)

## Data Sections

The default access window consists of several sections (The options are located on the first and second tab pages):

1. PHREEQCReverseOsmosis - The first tab contains general information relating to the unit and allows the user to configure the unit
2. MU - Optional tab, or multiple tabs if more than 1 Makeup is selected. Only visible if one of more Makeups are enabled in the Evaluation Block.
3. CFE - Optional tab, only visible if the UseCFE option is enabled on the first tab page.
4. Bypass - Optional tab, only visible if the WithBypass 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 mapped Input stream as PHREEQC species.
7. Output tab - This tab displays the Output stream results including the amounts of each PHREEQC species present in the final mixture.
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. PhDeport tab - Optional tab, only visible if the PhaseElemDeportment option is enabled on the first tab page. This tab shows the movement of elements for the Solid, Liquid and Gas phases.
11. IPhDeport tab - Optional tab, only visible if the IPhaseElemDeportment option is enabled on the first tab page. This tab shows the movement of elements for the individual PHREEQC phases.
12. ParamSweep tab - Optional tab, only visible if the ShowPlotter option is enabled on the first tab page. This tab allows the user to generate sets of data.
13. SpForPlot tab - Optional tab, only visible if the SelectSp option is enabled on the ParamSweep tab. This tab allows the user to select which species to be reported in the sets of data to be generated.
14. QUnmapped - Optional tab, only visible if ShowQUnmapped is enabled on the first tab page.
15. QBypass - Optional tab, only visible if ShowQBypass is enabled on the first tab page.
16. QRxnBypass - Optional tab, only visible if ShowQRxnBypass is enabled on the first tab page.
17. QFeed - Optional tab, only visible if ShowQFeed is enabled. This page shows the properties of the mixed stream as the feed to the unit. If user has specified a required pressure in the unit, the mixed feed will be set to this pressure. This may cause the temperature of the mixture to change if the delta P is significantly different.
18. QTCEFeed - Optional tab, only visible if ShowQTCEFeed is enabled. The TCE feed is the actual feed to the RO unit. The max recovery option works by removing water from the feed iteratively until we get the required solids in the reject.
19. QTCEProd - Optional tab, only visible if ShowQTCEProd is enabled. The TCE Prod is the actual product from the RO unit. The max recovery option works by removing water from the feed iteratively until we get the required solids in the reject.
20. QProd - Optional tab, only visible if ShowQProd is enabled. This page shows the properties of the Product stream. The tags in the QProd tab are valid even when the ShowQProd option is not selected.
21. QBrine - Optional tab, only visible if ShowQBrine is enabled. This page shows the properties of the Brine stream. The tags in the QBrine tab are valid even when the ShowQBrine option is not selected.
22. Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.
23. Links tab, contains a summary table for all the input and output streams.
24. Audit tab - contains summary information required for Mass and Energy balance. See Model Examples for enthalpy calculation Examples.

### PHREEQCReverseOsmosis

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

Tag (Long/Short) Input/ Calc Description
Tag Display This name tag may be modified with the change tag option.
Condition Display OK if no errors/warnings, otherwise lists errors/warnings.
ConditionCount Display The current number of errors/warnings. If condition is OK, returns 0.
GeneralDescription / GenDesc Display This is an automatically generated description for the unit. If the user has entered text in the 'EqpDesc' field on the Info tab (see below), this will be displayed here.
If this field is blank, then SysCAD will display the unit class ID.
Requirements
On Tickbox This variable in used to turn the unit ON or OFF. If the unit is OFF, all feed will exit via the Brine outlet.
Model Simple User only needs to specify Yield and Overall efficiency. No setting of pressures. No sub-models can be used.
General User can choose from several efficiency methods and specify the outlet pressures. Sub-models can be used.
MaxYield User specified the limit for maximum permissible permeate recovery, as well as the efficiency required and outlet pressure. Several efficiency methods are available. Sub-models can be used.
YieldReqd Input/Calc User can specify this value when Model set to Simple or General. Required fraction of pure water in the feed which is recovered to the product stream.
MinYield Input Only visible when Model set to MaxYield. Required minimum fraction of pure water in the feed which is recovered to the product stream.
MaxYield Input Only visible when Model set to MaxYield. Required maximum fraction of pure water in the feed which is recovered to the product stream.
SolidsTolInReject / SolidsTol Input Only visible if Model selected is MaxYield . The maximum solids fraction in the reject stream. New for 139: If set to zero, target is achieved when the least soluble solid is at 99% of its saturation index.
EffMethod Only visible if Model selected is General or MaxYield
Overall User can specify a single efficiency of removal for all non-water liquid species.
Individual Phase User can specify an efficiency of removal for each individual liquid phase.
Impurity Frac User can specify the fraction of impurities in the product stream.
EfficiencyReqd Input Only available if "Model is set to Simple", or "Model to General or Max Permeate Recovery and EffMethod is set to Overall". Required fraction of liquid species other than water that are recovered to the brine stream.
EfficiencyReqd.x Input Only available if EffMethod is set to Individual Phase. Required fraction of species in individual phase x (other than water) that are recovered to the brine stream.
ImpurityFracReqd / ImpFracReqd Input Only available if EffMethod is set to Impurity Frac. Required fraction of liquid species other than water in the product stream.
Pressure Requirements (Only visible if Model selected is General or MaxYield )
Prod.PressureReqd / P_Reqd Input Required pressure of the product stream.
Brine.PressDropReqd / PDropReqd Input Required pressure drop from the feed pressure to the brine stream.
OperatingP - NOTE: this pressure is applied to the (combined) feed, before sub-models (if any).
Method AutoDetect If there are any liquids AND no vapours present in the feed, outlet streams will take the highest pressure of the feeds. Else (eg. some vapours present) outlet streams will take the lowest pressure of the feeds.
LowestFeed Outlet streams will take the lowest pressure of the feeds.
HighestFeed Outlet streams will take the highest pressure of the feeds.
Atmospheric Outlet streams will be at Atmospheric Pressure. The atmospheric pressure is calculated by SysCAD based on the user defined elevation (default elevation is at sea level = 101.325 kPa). The elevation can be changed on the Environment tab page of the Plant Model.
RequiredP Outlet streams will be at the user specified pressure.
IgnoreLowMassFlow / IgnoreLowQm Tick Box This option is only visible if the AutoDetect, LowestFeed or HighestFeed methods are chosen. When calculating the outlet pressure and temperature of the tank, SysCAD will ignore the low flow feed streams should this option be selected. The low flow limit is set in the field below.
LowMassFlowFrac / LowQmFrac Input This field is only visible if the IgnoreLowQm option is selected. This is the amount any stream contributes to the total flow. For example, if the total feed to the tank is 10 kg/s, and this field is set to 1%. Then any feed streams with less than 0.1 kg/s will be ignored in the pressure calculations.
PressureReqd / P_Reqd Input This field is only visible if the RequiredP method is chosen. This is user specified pressure.
Result Calc The actual pressure used for the sum of the feeds which will also be the outlet pressure (unless further model options change the pressure).
EB... (Flow Evaluation Block) (Only visible if Model selected is General or MaxYield )
EvalSequence Calc The sequence in which the sub models (which are part of the evaluation blocks) will be calculated. The sequence is determined by the priority selection for the individual sub-models.
Note: If the user chooses On-AutoSequence then SysCAD will determine the sequence of the sub-models. The auto evaluation sequence followed will be the order the sub models are listed below.
Makeups Input The number of Makeup Blocks required. Extra dropdown options Makeup1, Makeup2, etc will be added to allow these to be switched on and off and prioritised in relation to the other sub-models.
MakeupX List This can be used to switch the Makeup Block (MU) on or off and prioritise it in relation to the other sub-models. If this is 'On' then the associated page, MUX becomes visible and may be configured.
Note: This field is only visible if the entry for 'Makeups' is greater than 0. If there is one makeup then X=1. If there are two makeups, then X=1 and X=2, etc.

This program contains PHREEQC Copyright U.S. Geological Survey (USGS)

Requirements
Select actions if species unmapped
FwdSpMap.UnmappedAction Bypass Any unmapped SysCAD species will be bypassed, ie will not be present in the PHREEQC input
Stop Solver Any unmapped SysCAD species will cause the solver to stop, user will need to fix the species mapping before solving again.
RevSpMap.UnmappedAction Make Inactive The unit model will become "inactive" (off) if a required PHREEQC product species is unmapped.
Stop Solver Any unmapped PHREEQC product species will cause the solver to stop, user will need to fix the species mapping before solving again.
Allow Solve Any unmapped PHREEQC product species will be ignored, the results may have mass balance issues. User will need to check the species and fix mapping if the species is important.
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.
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.
WithBypass Tickbox If this is ticked, then the Bypass tab page will appear.
Options
ShowQUnmapped Tickbox Allows the user to view the QUnmapped and associated tab pages. See Material Flow Section. This is the SysCAD species flows which are not mapped to PHREEQC species, and therefore are not taken into account in the PHREEQC calculation.
ShowQBypass Tickbox Only visible when WithBypass is ticked. Allows the user to view the QBypass and associated tab pages. See Material Flow Section. This is the SysCAD species flows which bypass the PHREEQC calculation.
ShowQRxnBypass Tickbox Only visible when WithBypass is ticked. Allows the user to view the QRxnBypass and associated tab pages. See Material Flow Section.
ShowRxnDiff Tickbox Allows the user to view the Diff tab page. This shows the difference between the mapped input stream seen by PHREEQC and the PHREEQC calculation results.
ShowPlotter Tickbox Only visible after the model has been successfully solved for at least one iteration. Allows the user to perform a parameter sweep using the product stream of the unit. If this is ticked, then the ParamSweep tab page will appear.
ShowSpIonRebuildRxns Tickbox If this is ticked, then the SpIonRxns tab page will appear. This shows how ions from the PHREEQC product stream were assembled into SysCAD species.
PhaseElemDeportment Tickbox Allows the user to view the Phase element deportment tab page. This shows how the elements move between phases due to the PHREEQC calculation results.
IPhaseElemDeportment Tickbox Allows the user to view the IPhase element deportment tab page. This shows how the elements move between individual phases due to the PHREEQC calculation results.
CopyPHREEQCInputToClipboard When this button is pressed, user can select to copy the Feed or Product information to clipboard.
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.
Residence Time
ResTime...
Calc Tickbox Allows the user to specify the volume of the unit, from which a residence time can be calculated.
Volume Input Only visible if the Calc option has been enabled. The operating volume of the unit. This will be used to calculate the apparent residence time in the unit. This is based on the volumetric flow of all outlets from the unit.
MassFlow / Qm Calc Only visible if the Calc option has been enabled. The mass flow of material from the unit.
Temperature / T Calc Only visible if the Calc option has been enabled. The temperature of the material leaving the unit.
Slurry Calc Only visible if the Calc option has been enabled. The residence time of the slurry in the unit.
Total Calc Only visible if the Calc option has been enabled. The residence time for the slurry and the vapours in the unit. If there are any vapours leaving the unit, then this value will be smaller than the Slurry figure.
Options
ShowQFeed Tick Box QFeed and associated tab pages (eg. Sp) will become visible, showing the properties of the combined feed stream. See Material Flow Section. This will be prior to any sub-model (eg reactions) actions.
ShowQTCEFeed Tick Box QTCEFeed and associated tab pages (eg. Sp) will become visible, see Material Flow Section. The TCE feed is the actual feed to the RO unit. The max recovery option works by removing water from the feed iteratively until we get the required solids in the reject.
ShowQTCEProd Tick Box QTCEProd and associated tab pages (eg. Sp) will become visible, see Material Flow Section. The TCE prod is the actual product from the RO unit. The max recovery option works by removing water from the feed iteratively until we get the required solids in the reject.
ShowQProdTickbox When selected, the QProd and associated tab pages (eg Sp) will become visible, showing the properties of the Product stream. See Material Flow Section. Tags in the QProd tab can be used for controllers (eg: PGM files) and reports even when this option is not selected.
ShowQBrineTickbox When selected, the QBrine and associated tab pages (eg Sp) will become visible, showing the properties of the Brine stream. See Material Flow Section. Tags in the QBrine tab can be used for controllers (eg: PGM files) and reports even when this option is not selected.
TrackStatus Tick Box If this box is checked, the unit will flag warnings if gases are present but no vent connected, or if solids are present.
Separation Results
Yield Calc Fraction of pure water in the feed which is recovered to the product stream.
Efficiency Calc Fraction of liquid species other than water that are recovered to the brine stream.
Brine.PressDrop / PDrop Calc Pressure drop from the feed pressure to the brine stream.
Product
Prod.MassFlow / Prod.Qm Calc Total mass flow of the product stream.
Prod.WaterMassFlow / Prod.WaterQm Calc Mass flow of pure water in the product stream.
Prod.AqueousMassFlow / Prod.AqQm Calc Mass flow of aqueous species in the product stream.
Prod.ImpurityFrac / Prod.ImpFrac Calc Fraction of liquid species other than water in the product stream.
Prod.ImpurityConc / Prod.ImpConc Calc Concentration of liquid species other than water in the product stream. (Only visible when GridDisplay is ticked.)
Prod.VolFlow / Prod.Qv Calc Total volume flow of the product stream.
Prod.SolidMassFlow / Prod.SQm Calc Mass flow of solids in the product stream. (Only visible when GridDisplay is unticked.)
Prod.LiquidMassFlow / Prod.LQm Calc Mass flow of liquids in the product stream. (Only visible when GridDisplay is unticked.)
Prod.SolidFrac / Prod.Sf Calc Mass fraction of solids in the product stream. (Only visible when GridDisplay is unticked.)
Prod.LiquidFrac / Prod.Lf Calc Mass fraction of liquids in the product stream. (Only visible when GridDisplay is unticked.)
Prod.Temperature / Prod.T Calc Temperature of the product stream.
Prod.Pressure / Prod.P Calc Pressure of the product stream.
Prod.Density / Prod.Rho Calc Density of the product stream.
Brine
Brine.MassFlow / Brine.Qm Calc Total mass flow of the brine stream.
Brine.WaterMassFlow / Brine.WaterQm Calc Mass flow of pure water in the brine stream.
Brine.AqueousMassFlow / Brine.AqQm Calc Mass flow of aqueous species in the brine stream.
Brine.ImpurityFrac / Brine.ImpFrac Calc Fraction of liquid species other than water in the brine stream.
Brine.ImpurityConc / Brine.ImpConc Calc Concentration of liquid species other than water in the brine stream. (Only visible when GridDisplay is ticked.)
Brine.VolFlow / Brine.Qv Calc Total volume flow of the brine stream.
Brine.SolidMassFlow / Brine.SQm Calc Mass flow of solids in the brine stream. (Only visible when GridDisplay is unticked.)
Brine.LiquidMassFlow / Brine.LQm Calc Mass flow of liquids in the brine stream. (Only visible when GridDisplay is unticked.)
Brine.SolidFrac / Brine.Sf Calc Mass fraction of solids in the brine stream. (Only visible when GridDisplay is unticked.)
Brine.LiquidFrac / Brine.Lf Calc Mass fraction of liquids in the brine stream. (Only visible when GridDisplay is unticked.)
Brine.Temperature / Brine.T Calc Temperature of the brine stream.
Brine.Pressure / Brine.P Calc Pressure of the brine stream.
Brine.Density / Brine.Rho Calc Density of the brine stream.
GridDisplay Tickbox Toggles between showing the product and brine stream results in a grid (table) format or in a list. This is a global selection that will affect the display of results in other access windows.

### 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.
• This feature is unavalable if using SysCAD VLE with PHREEQC.
 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).

### Bypass tab page

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 Species bypass configuration BypassMode Species A bypass fraction can be set for each species in the project. Phases A bypass fraction can be set for each phase (Solid, Liquid or Vapour) in the project. BypassUnmapped If this button is pressed then the bypass fraction for all Unmapped Species will be set to 100%. This is only relevant if BypassMode = Species. NOTE: There is no automatic undo for this function. It is recommended to bypass all species in the SysCAD model which are not present in the PHREEQC model you are using. ShowUnmappedSpecies Tickbox If ticked, all the unmapped species will be displayed in a list immediately under this field. PhaseBypass... (only displayed if BypassMode = Phases) PhaseBypass.Solid.MF Input Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD solid species. A non-zero value will allow some or all (100%) of the SysCAD solid species to bypass the thermodynamic engine calculations. PhaseBypass.Liquid.MF Input Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD liquid species. A non-zero value will allow some or all (100%) of the SysCAD liquid species to bypass the thermodynamic engine calculations. PhaseBypass.Vapour.MF Input Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD vapour species. A non-zero value will allow some or all (100%) of the SysCAD vapour species to bypass the thermodynamic engine calculations. The remaining fields are only displayed if BypassMode = Species) On This button will enable or disable the species filter options. 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. 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.

### PHREEQCResults tab page

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options PHREEQC Calculation Results Summary Feed Massflow Summary Bypass.MassFlow / Qm Display The mass flow of material in the feed which bypasses the calculation due to user selection of bypass species. Use show ShowQBypass to view full stream. Unmapped.MassFlow / Qm Display The mass flow of material in the feed which is not forward mapped to a species and therefore bypasses the calculation. Use show ShowQUnmapped to view full stream. PHREEQC.Feed.MassFlow / Qm Display The mass flow of material in the feed to the PHREEQC calculation. Same value as tag Feed.Qm. TotalFeed.MassFlow / Qm Display The total feed mass to the PHREEQC model block. Sum of bypasses and feed to PHREEQC calculation. Product Massflow Summary PHREEQC.Prod.MassFlow / Qm Display The mass flow of material in the product of the PHREEQC calculation. Same value as tag Prod.Qm. RxnBypass.MassFlow / Qm Display The mass flow of material for RxnUnmapped.MassFlow / Qm Display The mass flow of material in the prod which is not reverse mapped to SysCAD species. TotalProd.MassFlow / Qm Display The total product mass for the PHREEQC model block. Sum of bypasses and product of PHREEQC calculation. Stream Properties Summary Prod... Temperature / T Display The Temperature of the final solution. Pressure / P Display The Pressure of the final solution. MassFlow / Qm Display The Mass flow of the final solution. [email protected] Display The Enthalpy of the final solution per unit mass. Enthalpy / [email protected] Display The Enthalpy of the final solution. 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 / [email protected] 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 Difference in enthalpy between the product and feed of the PHREEQC reactions calculated by SysCAD. Bypass.HeatFlow Display The heat required to adjust the temperature and pressure of the bypass stream to exit conditions. HeatLoss Display The environmental heat loss. HeatFlow Display The heat flow required to achieve the product conditions relative to the feed conditions. Includes environmental heat loss if applicable. This is calculated by SysCAD and accounts for bypass and heat loss. Note that Bypass heat is calculated by SysCAD. Summary... Calculation Summary LastCalcType Display This displays the type of calculation (OpMode) used for the last calculation. LastCalcTime Display The amount of time taken to calculate the last set of conditions. Remove If the user clicks on this button, SysCAD will remove duplicate error messages received. ErrorCount Display The total number of errors encountered in the last calculation. ErrorXX Display If there are error messages associated with the last calculation, they will be displayed here. ConvergenceError Display The largest numerical convergence error. This is often zero when the solution converges with no errors.

### Input tab page

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options Stream Properties Summary Feed... Temperature / T Display The Temperature of the feed solution. This is calculated using the SysCAD enthalpy context. Pressure / P Display The Pressure of the feed solution. Enthalpy / [email protected] Display The Enthalpy of the feed solution. This is calculated 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 / [email protected] 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 / [email protected] Display The electric conductivity of the final solution. pKw Display The pKw of the final solution. RevMap.IonRxns A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard. Prod... SpeciesName The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. Zeros If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden.If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow. StreamView If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view. Stream Mass Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Mole Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped Mass Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. Unmapped Mole Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. Filter View Filter This button will enable or disable the species filter options. ShowUnmapped(Only visible if Filter is enabled) Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown. Phases(Only visible if Filter is enabled) All No filtering of species based on phase. Solids Only show solid phase species, hide other species. Liquids Only show liquid phase species, hide other species. Vapours Only show vapour (gaseous) phase species, hide other species. Solids & Liquids Only show solid and liquid phase species, hide other species. Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species. Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species. IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the 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 / [email protected] 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 and separately, between the SysCAD Input and Output streams.

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

### PhDeport tab page

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

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options PD... ElementBalanceView 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. This option is only shown if this model has been successfully run.

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.

### 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.

### MembraneInterface tab page

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options Stream Properties Summary MembraneInterface... Temperature / T Display The Temperature of the solution at the reject side of the membrane. This is calculated using the SysCAD enthalpy context. Pressure / P Display The Pressure of the solution at the reject side of the membrane. Enthalpy / [email protected] Display The Enthalpy of the solution at the reject side of the membrane. This is calculated using the SysCAD enthalpy context. MembraneInterface... 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 membrane interface stream. MassFrac / Mf Display Visible when StreamView = Mass. The mass fraction of the species in the membrane interface 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 membrane interface stream. MoleFrac / Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the membrane interface 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.

## Adding this Model to a Project

Insert into Configuration file

Sort either by DLL or Group.

 DLL: ScdPHREEQC.dll → Units/Links → PHREEQC: PHREEQC Reverse Osmosis or Group: Energy Transfer → Units/Links → PHREEQC: PHREEQC Reverse Osmosis