PHREEQC Reverse Osmosis

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Latest SysCAD Version: 25 October 2024 - SysCAD 9.3 Build 139.36522

Related Links: PHREEQC SysCAD Project Workflow

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

The user MUST have added and configured a PHREEQC Model Configuration unit in the SysCAD project before this unit can function.
The user MUST have installed a version of PHREEQC on their computer to make use of the PHREEQC functionality in SysCAD. Please see https://www.usgs.gov/software/phreeqc-version-3 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	Required / Optional	Input / Output	Number of Connections		Description
Label	Required / Optional	Input / Output	Min	Max	Description
Feed	1 Required	Input	1	20	Inlet liquid feed stream to the unit, usually water with dissolved salts.
FeedProdSide	Optional	Input	1	20	Inlet liquid feed stream to the product side of the membrane. This is useful for modelling numerous technologies including forward osmosis, diffusion dialysis, etc.
Product	Required	Output	1	1	Outlet product stream of the unit, usually purified water.
Brine	Required	Output	1	1	Outlet brine or waste stream of the unit.
Vent	Optional	Output	0	1	Optional gas outlet from the unit.

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

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 the SysCAD to PHREEQC streams is done via Species Mapping.

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

User connects the PHREEQC Reverse Osmosis with SysCAD input streams,
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.
The PHREEQC Reverse Osmosis calls the PHREEQC algorithms to determine the status of the mixture using the converted PHREEQC "input" data.
The PHREEQC results are displayed in the "output" tab using PHREEQC species.
The results are converted back into SysCAD species. Please see Species Mapping for more information.

NOTES:

The Input, Output and Diff tab pages are displayed using 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 https://www.usgs.gov/software/phreeqc-version-3 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:

[math]\displaystyle{ \Pi=-\frac{RT}{\overline{V}}ln(a_w) }[/math]

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

WorkFlow

The suggested workflow for configuring the model is:

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 model.
On the PHREEQCReverseOsmosis tab page, configure the model - methods, pressures, etc.
On the TCE tab page, select the correct ChemModel (to match step 1) (Note: In older builds, this selection was made on the PHREEQCReverseOsmosis tab page).
Select other TCE options (Bypass, CFE, etc.)
Perform an equilibrium calculation by pressing Solve in SysCAD.
The Results are displayed in the PHREEQCResults and Output tabs.
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 tabs and variable names are described in detail in the following tables.

PHREEQCReverseOsmosis - The first tab contains general information relating to the unit and allows the user to configure the unit.
TCE tab - This tab allows the user to choose the corresponding PHREEQC Model Configuration unit and set other TCE options.
IonPerm tab - Optional tab, only visible if the EffMethod is equal to Ionic Permeability on the PHREEQCReverseOsmosis tab page.
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 on the first tab page.
CFE - Optional tab, only visible if the UseCFE option is enabled on the TCE tab page.
Bypass - Optional tab, only visible if the WithBypass option is enabled on the TCE tab page.
RxnBypass - Optional tab, only visible if the WithBypass option is enabled on the TCE tab page.
PHREEQCResults tab - This tab displays the key results of the calculations.
Input tab - This tab displays a summary of the mapped Input stream as PHREEQC species.
Output tab - This tab displays the Output stream results including the amounts of each PHREEQC species present in the final mixture.
Diff tab - Optional tab, only visible if the ShowRxnDiff option is enabled on the TCE tab page. This tab displays the amounts of each species which are formed or reacted as part of the calculations.
Scaling tab - Optional tab, only visible if the ShowScaling option is enabled on the TCE tab.
ElemBal tab - This tab displays an elemental balance between the Input and Output streams.
PhDeport tab - Optional tab, only visible if the PhaseElemDeportment option is enabled on the TCE tab page. This tab shows the movement of elements for the Solid, Liquid and Gas phases.
IPhDeport tab - Optional tab, only visible if the IPhaseElemDeportment option is enabled on the TCE tab page. This tab shows the movement of elements for the individual PHREEQC phases.
UnitTag.ParamSweep tab - Optional tab, only visible if the ShowPlotter option is enabled on the TCE tab page. This tab allows the user to generate sets of data.
SpForPlot tab - Optional tab, only visible if the SelectSp option is enabled on the UnitTag.ParamSweep tab. This tab allows the user to select which species to be reported in the sets of data to be generated.
QUnmapped - Optional tab, only visible if ShowQUnmapped is enabled on the TCE tab page.
QRxnUnmapped - Optional tab, only visible if ShowQRxnUnmapped is enabled on the TCE tab page.
QBypass - Optional tab, only visible if ShowQBypass is enabled on the TCE tab page.
QRxnBypass - Optional tab, only visible if ShowQRxnBypass is enabled on the TCE tab page.
MembraneInterface tab - This tab displays the Output stream results including the amounts of each PHREEQC species present in the final mixture for the brine side of the membrane.
Product tab - Optional tab, only visible if CalcProductUsingPHREEQC is enabled on the PHREEQCReverseOsmosis tab page. This tab displays the Output stream results including the amounts of each PHREEQC species present in the final mixture for the product side of the membrane.
QFeed - Optional tab, only visible if ShowQFeed is enabled on the first tab page. 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.
QTCEFeed - Optional tab, only visible if ShowQTCEFeed is enabled on the first tab page. 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.
QTCEProd - Optional tab, only visible if ShowQTCEProd is enabled on the first tab page. 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.
QFeedProdSide - Optional tab, only visible if ShowQFeedProdSide is enabled on the first tab page.
QProd - Optional tab, visible if ShowQProd is enabled. This and subsequent tab pages, e.g. QProd.. and Sp, shows the properties of the Product stream. The tags in the QProd tab are valid even when the ShowQProd option is not selected.
QBrine - Optional tab, visible if ShowQBrine is enabled. This and subsequent tab pages, e.g. QBrine.. and Sp, shows the properties of the Brine stream. The tags in the QBrine tab are valid even when the ShowQBrine option is not selected.
Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.
Links tab, contains a summary table for all the input and output streams.
Audit tab - contains summary information required for Mass and Energy balance. See Model Examples for enthalpy calculation Examples.

PHREEQCReverseOsmosis tab page

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 UnitType or SubClass.
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. Available from Build 139.31388. Includes the effect of concentration polarization if ConcPolarizationFactor > 1.0.
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.
SolidsTolInBrine / SolidsTol	Input	Only visible if Model selected is MaxYield . The maximum solids fraction in the brine stream. Available from Build 139.31388. If set to zero, target is achieved when the least soluble solid is at 99% of its saturation index.
CPF.Reqd	Input	Available from Build 139.31388. Concentration Polarisation Factor: The ratio of the salt aqueous mass concentration at the membrane surface to the bulk solution (due to mass transfer). For calculating the concentration, the solution volume is calculated using the selected SysCAD species model (it is NOT calculated by PHREEQC).
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.
HeatBalOptions / HB.Options	FixedT	User can specify the final product temperature.
	FeedT	The final product temperature will equal the feed temperature.
	FixedHeat	No heat will be added or removed from the unit.
OperatingT	Input	Only visible if HeatBalOptions selected is FixedT. The required temperature of the product stream.
CalcProductsUsingPHREEQC / CalcProductsUsingTCE	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.
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.
	Ionic Permeability	User can specify permeability of ions in the feed through the membrane. The ions are defined as the total ions after a complete breakdown of all species in solution, i.e. total sulphate will include that from H₂SO₄, MgSO₄, etc. H⁺, OH^-, and H₃O⁺ ions cannot be specified
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 (e.g. 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... (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.
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 (e.g. Sp) will become visible, showing the properties of the combined feed stream. See Material Flow Section. This will be prior to any sub-model (e.g. reactions) actions.
ShowQFeedProdSide	Tick Box	QFeedProdSide and associated tab pages (e.g. Sp) will become visible. See Material Flow Section.
ShowQTCEFeed	Tick Box	QTCEFeed and associated tab pages (e.g. 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 (e.g. 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.
ShowQProd	Tickbox	When selected, the QProd and associated tab pages (e.g. 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 (e.g.: PGM files) and reports even when this option is not selected.
ShowQBrine	Tickbox	When selected, the QBrine and associated tab pages (e.g. 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 (e.g.: 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.
Concentration Polarization
CPF	Calc	The concentration polarization using SysCAD density model.
CPF.TCE	Calc	The concentration polarization using PHREEQC density model.
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.
Solids Tracking
Feed.SolidMassFlow / SQm	Calc	Mass flow of solids in the feed to the unit.
Interface.SolidMassFlow / SQm	Calc
Brine.SolidMassFlow / SQm	Calc	Mass flow of solids in the brine stream.
Prod.SolidMassFlow / SQm	Calc	Mass flow of solids in the product stream.
Energy Balance
Operating.T	Calc	The operating temperature of unit.
HeatFlow.Product	Calc
HeatFlow.Brine	Calc

TCE tab page

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
This program contains PHREEQC Copyright U.S. Geological Survey (USGS)
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.
ModelCfgTagUsed/ModelCfgTag	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.
Select actions if species unmapped
FwdSpMap.UnmappedAction	Stop Solver	Any unmapped SysCAD species will cause the solver to stop, user will need to fix the species mapping before solving again.
FwdSpMap.UnmappedAction	Bypass	Any unmapped SysCAD species will be bypassed, i.e. will not be present in the PHREEQC input
RevSpMap.UnmappedAction	Make Inactive	Any unmapped SysCAD species will cause the model to be inactive.
	Stop Solver	Any unmapped SysCAD species will cause the solver to stop, user will need to fix the species mapping before solving again.
	Allow Solve	Any unmapped SysCAD species will be ignored. Model will solve but will have a mass balance error.
ActionOnError	Continue	The model will continue solving if the PHREEQC calculation fails.
	Pause	The model will pause solving if the PHREEQC calculation fails.
	Stop	The model will stop solving if the PHREEQC calculation fails.
Requirements
Model	None (Off)	No calculations will be performed and input=output.
	Side Calc	The results from the PHREEQC calculation will be displayed but will not be applied to the output stream (input composition = output composition). This is similar to using the PHREEQC Side Calc Model.
	Reactor	The results from the PHREEQC calculation will be applied to the output stream, potentially affecting the composition and temperature/enthalpy of the stream.
UseSysCADVLE / VLE.On	Tickbox	Only visible if Model = Reactor. Allows user to switch on SysCAD VLE calculations. If ticked, then VLE tab will appear. If the VLE selection is not available, this tick box will be greyed out.
VLEModel	Display	Displays the VLE model used.
UseCFE	Tickbox	If this is ticked, then the CFE (Constrained Free Energy) tab page will appear. If CFE is not available, this tick 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.
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.
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.
ShowQRxnUnmapped	Tickbox	Allows the user to view the QRExnUnmapped and associated tab pages. See Material Flow Section.
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.
ShowScaling	Tickbox	Available from Build 139.34985. Allows the user to view the Scaling tab page.
PhaseElemDeportment	Tickbox	If this is ticked, then the PhDeport tab page will appear. This tab shows the mass movement of elements for the Solid, Liquid and Gas phases.
IPhaseElemDeportment	Tickbox	If this is ticked, then the IPhDeport tab page will appear. This shows how the elements move between phases due to the PHREEQC calculation results.
ShowPlotter	Tickbox	This option is only visible if this model has been successfully run. Allows the user to perform a parameter sweep using the product stream of the side calculator. If this is ticked, then the ParamSweep tab page will appear.
PHREEQCInput		When this button is pressed, user can select to copy the Feed or Product information to clipboard.

IonPerm tab page

This is only visible if the EffMethod is set to Ionic Permeability. Ion permeability is determined based on the total ions in the solution.

Specify permeability of ions through membrane Based upon total amount of each ion in the solution (complete breakdown)
Ion.Perm	Input	Ion permeability is specified based upon the total ion in solution. Ion is the name of the ion from the PHREEQC model as loaded.
CO3-2.Perm	Example	The total carbonate is calculated after all carbonate ions are broken down into their constituent parts. This means that the total carbonate is obtained from the sum of CO3-2 ions in solution and the breakdown of HCO3- (where HCO3- breaks down into H+ and CO3-2). Following this, adjustments are made to the acidity or basicity of the solution on both sides of the membrane to ensure charge neutrality.

CFE tab page

This tab is only visible if the UseCFE option is enabled on the TCE 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 unavailable 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, i.e. 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 TCE 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
Specify Bypass of Feed
BypassMode	Species	A bypass fraction can be set for each species in the project.
BypassMode	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.
BypassSpCount	Calc	The number of species to be bypassed.
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.

RxnBypass tab page

This tab is only visible if the WithBypass option is enabled on the TCE 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
Specify Bypass during Solver Solution
RxnBypass...
BypassMode	Species	A bypass fraction can be set for each species in the project.
BypassMode	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.
BypassSpCount	Calc	The number of species to be bypassed.
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.
Solids Yield
Solids.Yield	Display	The solids concentration in the product stream.
Solids.Precip	Display	The change in solids flow, feed-product. A positive value indicates precipitation has occurred. A negative value indicates dissolution has occurred.
Stream Properties Summary
Prod...
Temperature / T	Display	The Temperature of the final solution.
Pressure / P	Display	The Pressure of the final solution.
MassFlow / Qm	Display	The Mass flow of the final solution.
Hf@T	Display	The Enthalpy of the final solution per unit mass.
Enthalpy / totHf@T	Display	The Enthalpy of the final solution.
AqDensity / AqRho	Display	The density of aqueous species (solution) in the final solution.
Density / Rho	Display	The density of all species in the final mixture.
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.
ORP	Display	Available from Build 139.33865. The oxidation reduction potential (ORP) of the final solution referenced to the standard hydrogen electrode (SHE). This is also known as [math]\displaystyle{ E_h }[/math].
pKw	Display	The pKw of the final solution.
PHREEQCInput		When this button is pressed, user can select to copy the Product information to clipboard.
Zeros		If the Hide Zeros button is clicked, all phases/species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all phases/species will be displayed, including those with zero mass flow. Note this setting applies to the subsequent pages as well.
Feed...
Feed Phase Flowrate Summary
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)):
MassFlow / Qm	Display	The mass flow of the relevant phase in the feed.
MassFrac / Mf	Display	The mass fraction of the relevant phase in the feed.
MoleFlow / QMl	Display	The mole flow of the relevant phase in the feed.
MoleFrac / Mlf	Display	The mole fraction of the relevant phase in the feed.
Prod...
Prod Phase Flowrate Summary
(The following table displays a summary of results for the different phases. The table has the following columns (one row per phase)):
MassFlow / Qm	Display	The mass flow of the relevant phase in the final solution.
MassFrac / Mf	Display	The mass fraction of the relevant phase in the final solution.
MoleFlow / QMl	Display	The mole flow of the relevant phase in the final solution.
MoleFrac / Mlf	Display	The mole fraction of the relevant phase in the final solution.
PHREEQC Energy Balance (only shown if CalcEnthalpy is enabled on TCE tab page)
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.
Forward Mapping Summary
FwdMap.ScdFeed	Display	This displays mass and SysCAD enthalpy of the feed stream to PHREEQC before mapping and after bypass and unmapped are removed.
FwdMap	Display	This displays mass and PHREEQC enthalpy of the Input stream to PHREEQC after forward mapping. The enthalpy of the FwdMap stream and the FwdMap.ScdFeed stream should be identical because the SysCAD-PHREEQC interface uses the SysCAD enthalpy model to calculate enthalpy
FwdMap.Diff	Display	This displays the difference in mass and enthalpy between the feed stream and Input stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data.
FwdMap.RelDiff	Display	This displays the relative difference in mass and enthalpy between the feed stream and Input stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data.
Reverse Mapping Summary
RevMap.TCEProd	Display	This displays mass and PHREEQC enthalpy of the Output stream from PHREEQC. The enthalpy of the RevMap.TCEProd stream and the RevMap stream should be identical because the SysCAD-PHREEQC interface uses the SysCAD enthalpy model to calculate enthalpy
RevMap	Display	This displays mass and SysCAD enthalpy of the Prod stream after reverse mapping.
RevMap.Diff	Display	This displays the difference in mass and enthalpy between the Output stream and Prod stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data.
RevMap.RelDiff	Display	This displays the relative difference in mass and enthalpy between the Output stream and Prod stream. There should never be differences in mass. Small enthalpy differences are expected but large differences may indicate issues with SysCAD database enthalpy data.
Copy Reverse Mapping Reactions to Clipboard
RevMap.IonRxns		Pushing this button copies to the clipboard a list of reactions that were executed to perform the reverse mapping. These can then be pasted into Excel to generate a table.
Calculation Summary
Summary...
LastCalcType	Display	This displays the type of calculation (OpMode) used for the last calculation.
Remove		If the user clicks on this button, SysCAD will remove duplicate error messages received.
ErrorCount	Display	The total number of errors encountered in the last calculation.
ErrorXX	Display	If there are error messages associated with the last calculation, they will be displayed here.
ConvergenceError	Display	The largest numerical convergence error. This is often zero when the solution converges with no errors.

Input tab page

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Stream Properties Summary
Feed...
Temperature / T	Display	The Temperature of the feed solution. This is calculated using the SysCAD enthalpy context.
Pressure / P	Display	The Pressure of the feed solution.
MassFlow / Qm	Display	The Mass Flow of the feed solution.
Hf@T	Display	The Enthalpy of the feed solution per unit mass. This is calculated using SysCAD enthalpy.
Enthalpy / totHf@T	Display	The Enthalpy of the feed solution. This is calculated using SysCAD enthalpy.
PHREEQCInput		When this button is pressed, user can select to copy the Feed information to clipboard.
Feed...
SpeciesName		The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
Zeros		If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow.
StreamView		If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view.
Stream	Mass	Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
	Mole	Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
	Unmapped Mass	Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
	Unmapped Mole	Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
Filter View
Filter		This button will enable or disable the species filter options.
ShowUnmapped (Only visible if Filter is enabled)	Tickbox	When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases (Only visible if Filter is enabled)	All	No filtering of species based on phase.
	Solids	Only show solid phase species, hide other species.
	Liquids	Only show liquid phase species, hide other species.
	Vapours	Only show vapour (gaseous) phase species, hide other species.
	Solids & Liquids	Only show solid and liquid phase species, hide other species.
	Solids & Vapours	Only show solid and vapour (gaseous) phase species, hide other species.
	Liquids & Vapours	Only show liquid and vapour (gaseous) phase species, hide other species.
	IPhase	Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the {{{TPS}}} database chosen.
Filters (Only visible if Filter is enabled)	Content	All species which meet the Phase and Content criteria will be displayed.
	Content & MassFrac Limit	Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
	Content & MassFrac Largest	Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
	Content & MassFrac Smallest	Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.

	MassFrac Limit	Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
	MassFrac Largest	Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest	Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content (Only visible when one of the Content Filter options is selected)	All	No filtering of species based on element or name.
	Contains Any Element	This will display all species that contain any of the elements entered in their elemental definition.
	Contains All Elements	This will display only species that contain ALL of the elements entered in their elemental definition.
	Starts with ...	This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
	Contains any ...	This will display species that contain the text entered in the currently displayed short or long species tag.
	Contains All ...	This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select	Input	Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit	Input	Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count	Input	Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.) (Each table (one for each phase) has the following columns (one row for each species). )
MassFlow / Qm	Display	Visible when StreamView = Mass. The mass flow of the species in the feed stream.
MassFrac / Mf	Display	Visible when StreamView = Mass. The mass fraction of the species in the feed stream.
PhaseMassFrac / IPh:Mf	Display	Visible when StreamView = Mass. The mass fraction of the species in the displayed phase.
MoleFlow / QMl	Display	Visible when StreamView = Mole. The mole flow of the species in the feed stream.
MoleFrac / Mlf	Display	Visible when StreamView = Mole. The mole fraction of the species in the feed stream.
PhaseMoleFrac / IPh:Mlf	Display	Visible when StreamView = Mole. The mole fraction of the species in the displayed phase.

Output tab page

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Stream Properties Summary
Prod...
Temperature / T	Display	The Temperature of the product solution. This is calculated by SysCAD enthalpy context.
Pressure / P	Display	The Pressure of the product solution.
MassFlow / Qm	Display	The Mass Flow of the product solution.
Hf@T	Display	The Enthalpy of the product solution per unit mass. This is calculated using SysCAD enthalpy.
Enthalpy / totHf@T	Display	The Enthalpy of the product solution. This is calculated using SysCAD enthalpy.
AqDensity / AqRho	Display	The density of aqueous species (solution) in the final solution.
Density / Rho	Display	The density of all species in the final mixture.
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.
ORP	Display	Available from Build 139.33865. The oxidation reduction potential (ORP) of the final solution referenced to the standard hydrogen electrode (SHE). This is also known as [math]\displaystyle{ E_h }[/math].
pKw	Display	The pKw of the final solution.
PHREEQCInput		When this button is pressed, user can select to copy the Output information to clipboard.
Copy Reverse Mapping Reactions to Clipboard
RevMap.IonRxns		A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard.
Prod...
SpeciesName		The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
Zeros		If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow.
StreamView		If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view.
Stream	Mass	Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
	Mole	Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
	Unmapped Mass	Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
	Unmapped Mole	Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
Filter View
Filter		This button will enable or disable the species filter options.
ShowUnmapped (Only visible if Filter is enabled)	Tickbox	When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases (Only visible if Filter is enabled)	All	No filtering of species based on phase.
	Solids	Only show solid phase species, hide other species.
	Liquids	Only show liquid phase species, hide other species.
	Vapours	Only show vapour (gaseous) phase species, hide other species.
	Solids & Liquids	Only show solid and liquid phase species, hide other species.
	Solids & Vapours	Only show solid and vapour (gaseous) phase species, hide other species.
	Liquids & Vapours	Only show liquid and vapour (gaseous) phase species, hide other species.
	IPhase	Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the {{{TPS}}} database chosen.
Filters (Only visible if Filter is enabled)	Content	All species which meet the Phase and Content criteria will be displayed.
	Content & MassFrac Limit	Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
	Content & MassFrac Largest	Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
	Content & MassFrac Smallest	Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.

	MassFrac Limit	Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
	MassFrac Largest	Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest	Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content (Only visible when one of the Content Filter options is selected)	All	No filtering of species based on element or name.
	Contains Any Element	This will display all species that contain any of the elements entered in their elemental definition.
	Contains All Elements	This will display only species that contain ALL of the elements entered in their elemental definition.
	Starts with ...	This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
	Contains any ...	This will display species that contain the text entered in the currently displayed short or long species tag.
	Contains All ...	This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select	Input	Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit	Input	Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count	Input	Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.) (Each table (one for each phase) has the following columns (one row for each species). Totals for fractions/flows and maximum values for SatIdx are on the last row of each phase section.)
MassFlow / Qm	Display	Visible when StreamView = Mass. The mass flow of the species in the product stream.
MassFrac / Mf	Display	Visible when StreamView = Mass. The mass fraction of the species in the product stream.
PhaseMassFrac / IPh:Mf	Display	Visible when StreamView = Mass. The mass fraction of the species in the displayed phase.
MoleFlow / QMl	Display	Visible when StreamView = Mole. The mole flow of the species in the product stream.
MoleFrac / Mlf	Display	Visible when StreamView = Mole. The mole fraction of the species in the product stream.
PhaseMoleFrac / IPh:Mlf	Display	Visible when StreamView = Mole. The mole fraction of the species in the displayed phase.
ActivityCoeff	Display	Only shown for liquid/aqueous species. The activity coefficient of the species.
SatIdx	Display	Only shown for solid species. The saturation index of the species relative to its equilibrium solubility.
SatIdx.Eff	Display	Only shown for solid species. The saturation index of the species adjusted for user specified Saturation Index as defined in the PHREEQC Model Configuration.
Fugacity	Display	Only shown for gaseous species. The fugacity of the species.
Fugacity.Eff	Display	Only shown for gaseous species.

Diff tab page

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

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Stream Properties Summary
Diff...
Temperature / T	Display	The Temperature difference between the feed and product solutions.
Pressure / P	Display	The Pressure difference between the feed and product solutions.
MassFlow / Qm	Display	The Mass Flow difference between the feed and product solutions.
Hf@T	Display	The Enthalpy difference between the feed and product solutions per unit mass. This is calculated using SysCAD enthalpy.
Enthalpy / totHf@T	Display	The Enthalpy difference between the feed and product solutions. This is calculated using SysCAD enthalpy.
Copy Reverse Mapping Reactions to Clipboard
RevMap.IonRxns		A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard.
Diff...
SpeciesName		The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
Zeros		If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow.
StreamView		If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view.
Stream	Mass	Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
	Mole	Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard.
	Unmapped Mass	Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
	Unmapped Mole	Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream.
Filter View
Filter		This button will enable or disable the species filter options.
ShowUnmapped (Only visible if Filter is enabled)	Tickbox	When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases (Only visible if Filter is enabled)	All	No filtering of species based on phase.
	Solids	Only show solid phase species, hide other species.
	Liquids	Only show liquid phase species, hide other species.
	Vapours	Only show vapour (gaseous) phase species, hide other species.
	Solids & Liquids	Only show solid and liquid phase species, hide other species.
	Solids & Vapours	Only show solid and vapour (gaseous) phase species, hide other species.
	Liquids & Vapours	Only show liquid and vapour (gaseous) phase species, hide other species.
	IPhase	Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the {{{TPS}}} database chosen.
Filters (Only visible if Filter is enabled)	Content	All species which meet the Phase and Content criteria will be displayed.
	Content & MassFrac Limit	Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
	Content & MassFrac Largest	Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
	Content & MassFrac Smallest	Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.

	MassFrac Limit	Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
	MassFrac Largest	Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest	Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content (Only visible when one of the Content Filter options is selected)	All	No filtering of species based on element or name.
	Contains Any Element	This will display all species that contain any of the elements entered in their elemental definition.
	Contains All Elements	This will display only species that contain ALL of the elements entered in their elemental definition.
	Starts with ...	This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
	Contains any ...	This will display species that contain the text entered in the currently displayed short or long species tag.
	Contains All ...	This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select	Input	Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit	Input	Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count	Input	Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.) (Each table (one for each phase) has the following columns (one row for each species). )
MassFlow / Qm	Display	Visible when StreamView = Mass. The difference in mass flow of the species.
MassFrac / Mf	Display	Visible when StreamView = Mass. The difference in mass fraction of the species.
PhaseMassFrac / IPh:Mf	Display	Visible when StreamView = Mass. The difference in mass fraction of the species in the displayed phase.
MoleFlow / QMl	Display	Visible when StreamView = Mole. The difference in mole flow of the species.
MoleFrac / Mlf	Display	Visible when StreamView = Mole. The difference in mole fraction of the species.
PhaseMoleFrac / IPh:Mlf	Display	Visible when StreamView = Mole. The difference in mole fraction of the species in the displayed phase.

Scaling tab page

This tab is only visible if ShowScaling is ticked. This page lists all the Saturation Index for all the solid species in the product.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Scaling ...
SpeciesName		The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names.
Zeros		If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow.
Stream		Copy list of solids species and their Saturation Index to the clipboard, for pasting into external programs such as Excel.
Filter View
Filter		This button will enable or disable the species filter options.
Phases (Only visible if Filter is enabled)	Display	Always set to 'Solids'.
Filters (Only visible if Filter is enabled)	Display	Always set to 'Content'.
Content (Only visible if Filter is enabled)	All	No filtering of species based on element or name.
	Contains Any Element	This will display all species that contain any of the elements entered in their elemental definition.
	Contains All Elements	This will display only species that contain ALL of the elements entered in their elemental definition.
	Starts with ...	This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
	Contains any ...	This will display species that contain the text entered in the currently displayed short or long species tag.
	Contains All ...	This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select	Input	Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
(The following table displays the solid* PHREEQC species from the selected database. The table has the following columns (one row per PHREEQC species.)*
SatIdx	Display	The saturation index of the solid species relative to its equilibrium solubility.
SatIdx.Eff	Display	The saturation index of the solid species adjusted for user specified Saturation Index as defined in the PHREEQC Model Configuration.

Solid.MaxSI	Display	The maximum saturation index of any of the PHREEQC solid species.
Solid.MaxSI_Sp	Display	The PHREEQC solid species which has the maximum saturation index.
Solid.MaxSIEff	Display	The maximum effective saturation index of any of the PHREEQC solid species.
Solid.MaxSIEff_Sp	Display	The PHREEQC solid species which has the maximum effective saturation index.

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	This provides an easy way to change the Tol.Rel value. For example, 4 here will set Tol.Rel = 1.00e-4. If user changes the Tol.Rel value, this value will also be updated.
Tol.Rel	Input	The relative tolerance for Element Balance (Input - Output). If the relative error is > Tol.Rel then an error is generated. The value of Tol.Rel shown/specified here is used in all PHREEQC unit models which reference the same PHREEQC Model Configuration unit model.
Tol.Abs	Input	The absolute tolerance for Element Balance (Input - Output). If the absolute error is > Tol.Abs then an error is generated. The value of Tol.Abs shown/specified here is used in all PHREEQC unit models which reference the same PHREEQC Model Configuration unit model.
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 PHASE>...
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.

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.
Method	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... (only visible if Method = AdjustQMl)
Filter	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.
PhaseFilter	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 Filter field above.
SelSp... (only visible if Method = AdjustQMl)
Filter	Input	Only visible if Method = AdjustQMl. Allows user to optionally shorten the Species Selection list (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 Filter field above.
MoleBasis	Tickbox	Only visible if Method = AdjustQMl. If this box is ticked, user specifies the minimum and maximum mole flow of selected species. If this is not ticked, user can specify these flows in terms of mass flow.
MinSpMassFlow / QmMin	Input	Only visible if Method = AdjustQMl and MoleBasis is not ticked. The minimum mass flow of the selected species in the final solution.
MaxSpMassFlow / QmMax	Input	Only visible if Method = AdjustQMl and MoleBasis is not ticked. The maximum mass flow of the selected species in the final solution.
MinSpMoleFlow / QMlMin	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The minimum mole flow of the selected species in the final solution.
MaxSpMoleFlow / QMlMax	Input	Only visible if Method = AdjustQMl and MoleBasis is ticked. The maximum mole flow of the selected species in the final solution.
Prod.T	Input	The required temperature of the product stream.
Prod.P	Input	The required pressure of the product stream.
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 enabled. 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 enabled. 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.
ResultsType	(only visible if the SelectSp option is enabled)
	Flow	The results generated will include the flows of the selected species in the final product stream.
	Frac	The results generated will include the overall fractions of the selected species in the final product stream.
	PhaseFrac	The results generated will include the phase fractions of the selected species in the final product stream.
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.

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.
Pressure / P	Display	The Pressure of the solution at the reject side of the membrane.
MassFlow / Qm	Display	The Mass Flow of the solution at the reject side of the membrane.
Hf@T	Display	The Enthalpy of the solution at the reject side of the membrane per unit mass. This is calculated using SysCAD enthalpy.
Enthalpy / totHf@T	Display	The Enthalpy of the solution at the reject side of the membrane. This is calculated using SysCAD enthalpy.
AqDensity / AqRho	Display	The density of aqueous species (solution) in the final solution.
Density / Rho	Display	The density of all species in the final mixture.
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.
ORP	Display	Available from Build 139.33865. The oxidation reduction potential (ORP) of the final solution referenced to the standard hydrogen electrode (SHE). This is also known as [math]\displaystyle{ E_h }[/math].
pKw	Display	The pKw of the final solution.
PHREEQCInput		When this button is pressed, user can select to copy the MembraneInterface information to clipboard.
Copy Reverse Mapping Reactions to Clipboard
RevMap.IonRxns		A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard.
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.
(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.
ActivityCoeff	Display	Only shown for liquid/aqueous species. The activity coefficient of the species.
Fugacity	Display	Only shown for gaseous species. The fugacity of the species.
SatIdx	Display	Only shown for solid species. The saturation index of the species relative to its equilibrium solubility.

Product tab page

Only visible if CalcProductUsingPHREEQC is enabled on the PHREEQCReverseOsmosis tab page. This tab displays the Output stream results including the amounts of each PHREEQC species present in the final mixture for the product side of the membrane.

Tag (Long/Short)	Input / Calc	Description/Calculated Variables / Options
Stream Properties Summary
Product...
Temperature / T	Display	The Temperature of the solution at the product side of the membrane.
Pressure / P	Display	The Pressure of the solution at the product side of the membrane.
MassFlow / Qm	Display	The Mass Flow of the solution at the product side of the membrane.
Hf@T	Display	The Enthalpy of the solution at the product side of the membrane. This is calculated using SysCAD enthalpy.
Enthalpy / totHf@T	Display	The Enthalpy of the solution at the product side of the membrane. This is calculated using SysCAD enthalpy.
AqDensity / AqRho	Display	The density of aqueous species (solution) in the final solution.
Density / Rho	Display	The density of all species in the final mixture.
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.
ORP	Display	Available from Build 139.33865. The oxidation reduction potential (ORP) of the final solution referenced to the standard hydrogen electrode (SHE). This is also known as [math]\displaystyle{ E_h }[/math].
pKw	Display	The pKw of the final solution.
PHREEQCInput		When this button is pressed, user can select to copy the Product information to clipboard.
Copy Reverse Mapping Reactions to Clipboard
RevMap.IonRxns		A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard.
Product...
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.
(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.
ActivityCoeff	Display	Only shown for liquid/aqueous species. The activity coefficient of the species.
Fugacity	Display	Only shown for gaseous species. The fugacity of the species.
SatIdx	Display	Only shown for solid species. The saturation index of the species relative to its equilibrium solubility.

Adding this Model to a Project

Insert into Configuration file

Sort either by DLL or Group.

	DLL:	ScdPHREEQC.dll	→	Units/Links	→	TCE PHREEQC: PHREEQC Reverse Osmosis
or	Group:	Mass Separation	→	Units/Links	→	TCE PHREEQC: PHREEQC Reverse Osmosis

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

Insert into Project

Insert Unit

→

TCE PHREEQC

→

PHREEQC Reverse Osmosis

See Insert Unit for general information on inserting units.

PHREEQC Reverse Osmosis

Contents