PHREEQC Pond Model

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PHREEQC
Overview
PHREEQC
Model Configuration
PHREEQC
Direct Calc Model
PHREEQC
Side Calc Model
PHREEQC
Reactor
PHREEQC
Evaporator
PHREEQC
Flash Tank
PHREEQC
Reverse Osmosis
PHREEQC
Solvent Extraction
PHREEQC
Feeder Model
PHREEQC
Pond Model (Dynamic)

Latest SysCAD Version: 17 January 2023 - SysCAD 9.3 Build 139.32335

Related Links: PHREEQC SysCAD Project Workflow


Released as a BETA version in Build 139.30599.

General Description

The PHREEQC Pond model is used in the Dynamic mode to emulate an Evaporation Pond. The user has the option to divide the pond into two layers, a bed where most of the solids settle and a clarified liquor layer for liquids, or consider the pond as a single layer. In any case, the concentration of the pore liquid in the bed layer and the concentration of the supernatant pond liquid is always equal and in equilibrium with the solids.

The PHREEQC Pond model allows the user to 'call' the PHREEQC solver to determine the state of a pond contents.

Notes

  1. The user MUST have added and configured a PHREEQC Model Configuration unit in the SysCAD project before this unit can function.
  2. Installation of PHREEQC is not required to use the PHREEQC functionality in SysCAD. If the user wishes to install PHREEQC, please see www.usgs.gov/software/phreeqc-version-3 for more information.

Inputs and Outputs

Label Required
Optional
Input
Output
Number of Connections Description
Min Max.
Feed Required In 1 10 The feed to the Pond.
Overflow Required Out 1 1 Pond overflow stream.
CL_Out Optional Out 0 1 Outlet stream from the Clarified Liquor layer.
Bed Out Optional Out 0 1 Outlet stream from the Bed layer.
Seepage Optional Out 0 1 Pond seepage.
Vent Optional Out 0 1 Vent Stream (Vapour Only).

Model Theory

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

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

  1. Make sure the project contains at least one of the PHREEQC Model Configuration model, and the model is loaded with the correct PHREEQC database you would like to use for the PHREEQC Pond model.
  2. On the PHREEQCPond tab page, configure the model - methods, pressures, etc.
  3. On the TCE tab page, select the correct ChemModel (to match step 1) (Note: In older builds, this selection was made on the PHREEQCPond tab page).
  4. Select other TCE options (Bypass, CFE, etc.)
  5. Perform an equilibrium calculation by pressing Solve in SysCAD.
  6. The Results are displayed in the PHREEQCResults and Output tabs.
  7. Check and fix any species mapping issues. (PHREEQC resulting species may change if the operating conditions change, so it is likely a change of temperature or feed composition will result in different PHREEQC species.)

Data Sections

  1. PHREEQCPond tab - The first tab contains general information relating to the unit and allows the user to configure the unit.
  2. Outlets tab - This tab allows user to configure the various outputs from the pond as defined in the list of outputs above.
  3. TCE tab - This tab allows the user to choose the corresponding PHREEQC Model Configuration unit and set other TCE options.
  4. CFE - Optional tab, only visible if the UseCFE option is enabled on the TCE tab page.
  5. Bypass - Optional tab, only visible if the WithBypass option is enabled on the TCE tab page.
  6. RxnBypass - Optional tab, only visible if the WithBypass option is enabled on the TCE tab page.
  7. PHREEQCResults tab - This tab displays the key results of the calculations.
  8. Input tab - This tab displays a summary of the mapped Input stream as PHREEQC species.
  9. Output tab - This tab displays the Output stream results including the amounts of each PHREEQC species present in the final mixture.
  10. 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.
  11. ElemBal tab - This tab displays an elemental balance between the Input and Output streams.
  12. 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.
  13. 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.
  14. QUnmapped - Optional tab, only visible if ShowQUnmapped is enabled on the TCE tab page.
  15. QRxnUnmapped - Optional tab, only visible if ShowQRxnUnmapped is enabled on the TCE tab page.
  16. QBypass - Optional tab, only visible if ShowQBypass is enabled on the TCE tab page.
  17. QRxnBypass - Optional tab, only visible if ShowQRxnBypass is enabled on the TCE tab page.
  18. 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.
  19. 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.
  20. Bed tab - Optional tab, only visible if BedLayer.Partition and ShowBed are enabled on the first tab page. Contains data on the material in the bed.
  21. Content tab - contains data on the material in the pond.
  22. Preset tab - Optional tab, only visible if UsePreset option is enabled on the first tab page. Allows user to define the Preset composition.
  23. Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.
  24. Links tab, contains a summary table for all the input and output streams.
  25. Audit tab - contains summary information required for Mass and Energy balance. See Model Examples for enthalpy calculation Examples.

PHREEQCPond tab page

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

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Tag Display This name tag may be modified with the change tag option.
Condition Display OK if no errors/warnings, otherwise lists errors/warnings.
ConditionCount Display The current number of errors/warnings. If condition is OK, returns 0.
GeneralDescription / GenDesc Display This is an automatically generated description for the unit. If the user has entered text in the 'EqpDesc' field on the Info tab (see below), this will be displayed here.
If this field is blank, then SysCAD will display the unit class ID.
Requirements (Pond Size)
Capacity.Volume Input The volume of the pond.
Pond/Capacity.Area Input The surface area of the pond.
Pond/Capacity.Depth Calc The depth of the pond, calculated by Depth = Volume / Area.
Requirements
TemperatureReqd / T_Reqd Input The required temperature of the pond.
TCE_LiqBypassFrac Input The fraction of the liquids that bypass the PHREEQC calculations.
TCE_SolBypassFrac Input The fraction of the solids that bypass the PHREEQC calculations.
BedLayer.Partition Tickbox Separates the contents of the pond into two layers, Clarified Liquor and Bed. The Bed layer is the bottom layer.
BedLayer.FracOfSolids Input Only visible if BedLayer.Partition has been enabled. The fraction of the solids that report to the Bed layer.
BedLayer.LiquidFrac Input Only visible if BedLayer.Partition has been enabled. The fraction liquids in the Bed layer.
Requirements (Evaporation)
Evap.Method None There is no evaporation from the pond.
Massflow The user can specify the mass flow of water to be evaporated.
Volumeflow The user can specify the volume flow of water to be evaporated.
Height Rate The user can specify the rate of evaporation of water as a length per unit time. This will be multiplied by the surface area of the pond to obtain a volume of water to be evaporated.
Evap.QmReqd Input Only visible if Evap.Method = Massflow. The mass flow of water to be evaporated.
Evap.QvReqd Input Only visible if Evap.Method = Volumeflow. The volume flow of water to be evaporated.
Evap.RateReqd Input Only visible if Evap.Method = Height Rate. The required evaporation rate.
Evap.MinWaterFrac Input Visible if Evap.Method is any method other than None. The minimum fraction of water to be maintained in the pond. Evaporation may be less than specified to prevent the fraction of water being less than this value.
EB... (Evaluation Block)
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.
PresetData...
UsePreset Tickbox If ticked, will allow user to set temperature, level and composition of the pond at startup. The composition can be set on the Preset tab page.
Temperature / T Input Only visible if UsePreset has been enabled. The temperature of the contents of the pond at startup.
Level Input Only visible if UsePreset has been enabled. The level of the pond at startup.
Options
TrackOverflow Tickbox If ticked, will enable warnings if material is sent to overflow stream.
ShowQFeed Tickbox Allows the user to view the QFeed and associated tab pages, showing the properties of the combined feed stream. See Material Flow Section. This will be prior to any sub-model actions, mixing with the pond content or PHREEQC calculations.
ShowBed Tickbox Only visible if BedLayer.Partition has been enabled. Allows the user to view the Bed and associated tab pages, showing the properties of the Bed layer. See Material Content Section.
Results Summary (Pond Contents)
Temperature / T Calc The current temperature of the contents of the pond.
Density / Rho Calc The current density of the contents of the pond.
TotalVol / Vt Calc The current volume of the contents of the pond.
Level / Lvl Calc The current level of the contents of the pond.
SolidFrac / Sf Calc The current fraction of solids in the contents of the pond.
TotalMass / Mt Calc The current mass of the contents of the pond.
InitTtlMass / InitMt Calc The mass of the contents of the pond at the start of the solver run.
DeltaTtlMass / DeltaMt Calc The total change in mass of the contents of the pond since the start of the solver run (TotalMass - InitTtlMass).
MassRateOfChange / QmAcc Calc The rate of accumulation of mass in the content of the pond.
MtAcc Calc The total change of mass over the time step.
Content.HeatFlow Calc
Results Summary (Bed Layer) (This section is only visible if BedLayer.Partition has been enabled.)
BedLayer.TotalMass / Mt Calc The current mass of the contents of the bed layer.
BedLayer.TotalVol / Vt Calc The current volume of the contents of the bed layer.
BedLayer.Level / Lvl Calc The current level of the bed layer.
BedLayer.ContentFrac Calc The fraction by volume of the bed layer compared to the total volume of the contents of the pond (BedLayer.TotalVol / TotalVol).
BedLayer.HeatFlow Calc The current level of the bed layer.
Results Summary (Evaporation)
Evap.MassFlow / Qm Calc The mass flow of water evaporated.
Evap.VolumeFlow / Qv Calc The volume flow of water evaporated.
Evap.Rate Calc The evaporation rate.
Evap.HeatFlow Calc The energy (heat) required for evaporation of water.
Results Summary (TCE)
TCE.Mt Calc
TCE.HeatFlow Calc
Bypass.Mt Calc
Bypass.HeatFlow Calc
Results Summary (Streams)
Feed.MassFlow / Qm Calc The feed mass flow to the pond.
MassRateOfChange / QmAcc Calc The rate of accumulation of mass in the content of the pond.
Overflow.MassFlow / Qm Calc The mass flow of the overflow stream.
Vent.MassFlow / Qm Calc The mass flow of the vent stream.
HeatFlows
Content.HeatFlow Calc
Evap.HeatFlow Calc The energy (heat) required for evaporation of water.
Bypass.HeatFlow Calc
TCE.HeatFlow Calc
HeatFlow Calc The sum of all heat flows.

Outlets tab page

Notes:

  1. All gases exit via the Gas Vent and cannot exit via normal Outlet links.
  2. If no Gas Vent is connected, then any Gas will exit via an automatically created Gas Spill direct link.
Tag (Long/Short) Input/ Calc Description
(NOTE: Most fields will not be shown for a particular outlet if it is not connected)
Requirements (Clarified Liquor Outlet)
CL.Filter None All liquid and solid material will be able to exit via the connected pipe.
Block-Solids Solids will be not be allowed to exit via the connected pipe.
Block-Liquids Liquids will be not be allowed to exit via the connected pipe.
Composition Allows the user to specify the solid, liquid and vapour fractions.
CL_Out...
Outlet XXX
These Output connection tags are also available on the Pipe access window. Any changes made here will be updated on the pipe access window and vice-versa.
CapacityControl Off The maximum mass flow through the outlet will be set to unlimited amount (uncontrolled).
ByMassFlow The user can specify the maximum mass flow through the outlet.
ByVolumeFlow The user can specify the maximum volumetric flow through the outlet.
Qm.ReqdCapacity / Qm.Capacity Input Visible when ByMassFlow option is selected. The required pipe Capacity in mass flow.
Qm.MinCapacity / Qm.MinCap Input Visible with the ByMassFlow method. The minimum user specified flow capacity by mass.
Qm.MaxCapacity / Qm.MaxCap Input Visible with the ByMassFlow method. The maximum user specified flow capacity by mass. Enter * for unlimited flow.
Qv.ReqdCapacity / Qv.Capacity Input Visible when ByVolumeFlow option is selected. The required pipe Capacity in volumetric flow.
Qv.MinCapacity / Qv.MinCap Input Visible with the ByVolumeFlow method. The minimum user specified flow capacity by volume.
Qv.MaxCapacity / Qv.MaxCap Input Visible with the ByVolumeFlow method. The maximum user specified flow capacity by volume. Enter * for unlimited flow.
MeasRho Display The stream density used when converting between mass and volume flows.
OverCapacity Spill If more material enters the pipe then the Maximum Capacity value, then the excess material will be 'spilled' and sent to the Spills area.
Accept If more material enters the pipe then the Maximum Capacity value, then the pipe must accept the excess material.
BatchMethod None The Batch functionality is not enabled.
Total Mass The Batch functionality is enabled and the required batch size is defined in terms of Mass flow. Further fields will become visible if this option is selected allowing the user to set the required batch mass.
Total Volume The Batch functionality is enabled and the required batch size is defined in terms of Volume flow. Further fields will become visible if this option is selected allowing the user to set the required batch volume.
The following fields will be visible if Total Mass is selected as the Batch method.
M.BatchAddition Input The Mass of the required Batch. This amount of material will be allowed to flow out of the pipe at the rate specified in Qm.Capacity or Qv.Capacity.
When this value is set the amount of material will be added to the amount of material already in M.BatchRemaining (the field below), and then this field will revert to 0.
M.BatchRemaining Calc / Input The Mass of material currently in a Batch, i.e. the amount of material in a Batch that still has to flow through the pipe. Normally this value is initialised at the start of a run and then it is calculated by SysCAD from the amount required in M.BatchAddition and the amount already delivered by the batch.
However, the user may set this value and hence override the calculated Batch amount at any stage.
If the users sets this as Undefined (or '*') this is equivalent to any infinite Batch and therefore the flow through the pipe will not be restricted.
M.BatchTotal Display The Total Mass that has flowed through the pipe using the Batch addition method.
The following fields will be visible if Total Volume is selected as the Batch method.
V.BatchAddition Input The Volume of the required Batch. This amount of material will be allowed to flow out of the pipe at the rate specified in Qm.Capacity or Qv.Capacity.
When this value is set the amount of material will be added to the amount of material already in V.BatchRemaining (the field below), and then this field will revert to 0.
V.BatchRemaining Calc / Input The Volume of material currently in a Batch, i.e. the amount of material in a Batch that still has to flow through the pipe. Normally this value is initialised at the start of a run and then it is calculated by SysCAD from the amount required in V.BatchAddition and the amount already delivered by the batch.
However, the user may set this value and hence override the calculated Batch amount at any stage.
If the users sets this as Undefined (or '*') this is equivalent to any infinite Batch and therefore the flow through the pipe will not be restricted.
V.BatchTotal Display The Total Volume that has flowed through the pipe using the Batch addition method.
The following fields will be visible if Total Mass or Total Volume is selected as the Batch method.
BatchState None No Batch mode has been set.
Inactive A Batch method has been selected, but the Batch is undefined.
Busy A Batch method has been selected, there is material remaining in the Batch, and hence there is flow in the pipe due to the Batch.
Stop Flow A Batch method has been selected, there is NO material remaining in the Batch, and hence there is no flow in the pipe, i.e. the Batch will prevent any flow in the pipe.
BatchUsePreset Tickbox This enables the use Preset for the Batch amount.
M or V.BatchUsePreset Input The Mass or Volume of the Batch when the model is Preset. Refer to Actions Commands - Preset for more information.
Requirements (Seepage Outlet)
Seepage.Filter None All liquid and solid material will be able to exit via the connected pipe.
Block-Solids Solids will be not be allowed to exit via the connected pipe.
Block-Liquids Liquids will be not be allowed to exit via the connected pipe.
Composition Allows the user to specify the solid, liquid and vapour fractions.
Seepage...
Outlet XXX
These Output connection tags are also available on the Pipe access window. Any changes made here will be updated on the pipe access window and vice-versa.
CapacityControl Off The maximum mass flow through the outlet will be set to unlimited amount (uncontrolled).
ByMassFlow The user can specify the maximum mass flow through the outlet.
ByVolumeFlow The user can specify the maximum volumetric flow through the outlet.
Qm.ReqdCapacity / Qm.Capacity Input Visible when ByMassFlow option is selected. The required pipe Capacity in mass flow.
Qm.MinCapacity / Qm.MinCap Input Visible with the ByMassFlow method. The minimum user specified flow capacity by mass.
Qm.MaxCapacity / Qm.MaxCap Input Visible with the ByMassFlow method. The maximum user specified flow capacity by mass. Enter * for unlimited flow.
Qv.ReqdCapacity / Qv.Capacity Input Visible when ByVolumeFlow option is selected. The required pipe Capacity in volumetric flow.
Qv.MinCapacity / Qv.MinCap Input Visible with the ByVolumeFlow method. The minimum user specified flow capacity by volume.
Qv.MaxCapacity / Qv.MaxCap Input Visible with the ByVolumeFlow method. The maximum user specified flow capacity by volume. Enter * for unlimited flow.
MeasRho Display The stream density used when converting between mass and volume flows.
OverCapacity Spill If more material enters the pipe then the Maximum Capacity value, then the excess material will be 'spilled' and sent to the Spills area.
Accept If more material enters the pipe then the Maximum Capacity value, then the pipe must accept the excess material.
BatchMethod None The Batch functionality is not enabled.
Total Mass The Batch functionality is enabled and the required batch size is defined in terms of Mass flow. Further fields will become visible if this option is selected allowing the user to set the required batch mass.
Total Volume The Batch functionality is enabled and the required batch size is defined in terms of Volume flow. Further fields will become visible if this option is selected allowing the user to set the required batch volume.
The following fields will be visible if Total Mass is selected as the Batch method.
M.BatchAddition Input The Mass of the required Batch. This amount of material will be allowed to flow out of the pipe at the rate specified in Qm.Capacity or Qv.Capacity.
When this value is set the amount of material will be added to the amount of material already in M.BatchRemaining (the field below), and then this field will revert to 0.
M.BatchRemaining Calc / Input The Mass of material currently in a Batch, i.e. the amount of material in a Batch that still has to flow through the pipe. Normally this value is initialised at the start of a run and then it is calculated by SysCAD from the amount required in M.BatchAddition and the amount already delivered by the batch.
However, the user may set this value and hence override the calculated Batch amount at any stage.
If the users sets this as Undefined (or '*') this is equivalent to any infinite Batch and therefore the flow through the pipe will not be restricted.
M.BatchTotal Display The Total Mass that has flowed through the pipe using the Batch addition method.
The following fields will be visible if Total Volume is selected as the Batch method.
V.BatchAddition Input The Volume of the required Batch. This amount of material will be allowed to flow out of the pipe at the rate specified in Qm.Capacity or Qv.Capacity.
When this value is set the amount of material will be added to the amount of material already in V.BatchRemaining (the field below), and then this field will revert to 0.
V.BatchRemaining Calc / Input The Volume of material currently in a Batch, i.e. the amount of material in a Batch that still has to flow through the pipe. Normally this value is initialised at the start of a run and then it is calculated by SysCAD from the amount required in V.BatchAddition and the amount already delivered by the batch.
However, the user may set this value and hence override the calculated Batch amount at any stage.
If the users sets this as Undefined (or '*') this is equivalent to any infinite Batch and therefore the flow through the pipe will not be restricted.
V.BatchTotal Display The Total Volume that has flowed through the pipe using the Batch addition method.
The following fields will be visible if Total Mass or Total Volume is selected as the Batch method.
BatchState None No Batch mode has been set.
Inactive A Batch method has been selected, but the Batch is undefined.
Busy A Batch method has been selected, there is material remaining in the Batch, and hence there is flow in the pipe due to the Batch.
Stop Flow A Batch method has been selected, there is NO material remaining in the Batch, and hence there is no flow in the pipe, i.e. the Batch will prevent any flow in the pipe.
BatchUsePreset Tickbox This enables the use Preset for the Batch amount.
M or V.BatchUsePreset Input The Mass or Volume of the Batch when the model is Preset. Refer to Actions Commands - Preset for more information.
Requirements (Bed Outlet)
Bed.Filter None All liquid and solid material will be able to exit via the connected pipe.
Block-Solids Solids will be not be allowed to exit via the connected pipe.
Block-Liquids Liquids will be not be allowed to exit via the connected pipe.
Composition Allows the user to specify the solid, liquid and vapour fractions.
Bed_Out...
Outlet XXX
These Output connection tags are also available on the Pipe access window. Any changes made here will be updated on the pipe access window and vice-versa.
CapacityControl Off The maximum mass flow through the outlet will be set to unlimited amount (uncontrolled).
ByMassFlow The user can specify the maximum mass flow through the outlet.
ByVolumeFlow The user can specify the maximum volumetric flow through the outlet.
Qm.ReqdCapacity / Qm.Capacity Input Visible when ByMassFlow option is selected. The required pipe Capacity in mass flow.
Qm.MinCapacity / Qm.MinCap Input Visible with the ByMassFlow method. The minimum user specified flow capacity by mass.
Qm.MaxCapacity / Qm.MaxCap Input Visible with the ByMassFlow method. The maximum user specified flow capacity by mass. Enter * for unlimited flow.
Qv.ReqdCapacity / Qv.Capacity Input Visible when ByVolumeFlow option is selected. The required pipe Capacity in volumetric flow.
Qv.MinCapacity / Qv.MinCap Input Visible with the ByVolumeFlow method. The minimum user specified flow capacity by volume.
Qv.MaxCapacity / Qv.MaxCap Input Visible with the ByVolumeFlow method. The maximum user specified flow capacity by volume. Enter * for unlimited flow.
MeasRho Display The stream density used when converting between mass and volume flows.
OverCapacity Spill If more material enters the pipe then the Maximum Capacity value, then the excess material will be 'spilled' and sent to the Spills area.
Accept If more material enters the pipe then the Maximum Capacity value, then the pipe must accept the excess material.
BatchMethod None The Batch functionality is not enabled.
Total Mass The Batch functionality is enabled and the required batch size is defined in terms of Mass flow. Further fields will become visible if this option is selected allowing the user to set the required batch mass.
Total Volume The Batch functionality is enabled and the required batch size is defined in terms of Volume flow. Further fields will become visible if this option is selected allowing the user to set the required batch volume.
The following fields will be visible if Total Mass is selected as the Batch method.
M.BatchAddition Input The Mass of the required Batch. This amount of material will be allowed to flow out of the pipe at the rate specified in Qm.Capacity or Qv.Capacity.
When this value is set the amount of material will be added to the amount of material already in M.BatchRemaining (the field below), and then this field will revert to 0.
M.BatchRemaining Calc / Input The Mass of material currently in a Batch, i.e. the amount of material in a Batch that still has to flow through the pipe. Normally this value is initialised at the start of a run and then it is calculated by SysCAD from the amount required in M.BatchAddition and the amount already delivered by the batch.
However, the user may set this value and hence override the calculated Batch amount at any stage.
If the users sets this as Undefined (or '*') this is equivalent to any infinite Batch and therefore the flow through the pipe will not be restricted.
M.BatchTotal Display The Total Mass that has flowed through the pipe using the Batch addition method.
The following fields will be visible if Total Volume is selected as the Batch method.
V.BatchAddition Input The Volume of the required Batch. This amount of material will be allowed to flow out of the pipe at the rate specified in Qm.Capacity or Qv.Capacity.
When this value is set the amount of material will be added to the amount of material already in V.BatchRemaining (the field below), and then this field will revert to 0.
V.BatchRemaining Calc / Input The Volume of material currently in a Batch, i.e. the amount of material in a Batch that still has to flow through the pipe. Normally this value is initialised at the start of a run and then it is calculated by SysCAD from the amount required in V.BatchAddition and the amount already delivered by the batch.
However, the user may set this value and hence override the calculated Batch amount at any stage.
If the users sets this as Undefined (or '*') this is equivalent to any infinite Batch and therefore the flow through the pipe will not be restricted.
V.BatchTotal Display The Total Volume that has flowed through the pipe using the Batch addition method.
The following fields will be visible if Total Mass or Total Volume is selected as the Batch method.
BatchState None No Batch mode has been set.
Inactive A Batch method has been selected, but the Batch is undefined.
Busy A Batch method has been selected, there is material remaining in the Batch, and hence there is flow in the pipe due to the Batch.
Stop Flow A Batch method has been selected, there is NO material remaining in the Batch, and hence there is no flow in the pipe, i.e. the Batch will prevent any flow in the pipe.
BatchUsePreset Tickbox This enables the use Preset for the Batch amount.
M or V.BatchUsePreset Input The Mass or Volume of the Batch when the model is Preset. Refer to Actions Commands - Preset for more information.
CL Outlet Stream
CL...
CapControl.MassFlowReqd / QmReqd Calc The mass flow required in the pipe set by the capacity control.
Pull.MassFlowReqd / QmReqd Calc
MassFlowReqd / QmReqd Calc The mass flow required in the pipe. Minimum of CapControl.MassFlowReqd and Pull.MassFlowReqd.
MassFlow / Qm Calc The actual mass flow in the pipe.
VolFlow / Qv Calc The actual volumetric flow in the pipe.
Seepage Outlet Stream
Seepage...
CapControl.MassFlowReqd / QmReqd Calc The mass flow required in the pipe set by the capacity control.
Pull.MassFlowReqd / QmReqd Calc
MassFlowReqd / QmReqd Calc The mass flow required in the pipe. Minimum of CapControl.MassFlowReqd and Pull.MassFlowReqd.
MassFlow / Qm Calc The actual mass flow in the pipe.
VolFlow / Qv Calc The actual volumetric flow in the pipe.
Bed Outlet Stream
Bed...
CapControl.MassFlowReqd / QmReqd Calc The mass flow required in the pipe set by the capacity control.
Pull.MassFlowReqd / QmReqd Calc
MassFlowReqd / QmReqd Calc The mass flow required in the pipe. Minimum of CapControl.MassFlowReqd and Pull.MassFlowReqd.
MassFlow / Qm Calc The actual mass flow in the pipe.
VolFlow / Qv Calc The actual volumetric flow in the pipe.

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 Check Tag.png 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.
Bypass Any unmapped SysCAD species will be bypassed, ie 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
UseSysCADVLE / VLE.On Tickbox Allows user to switch on SysCAD VLE calculations. If ticked, then VLE tab will appear.
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 ticked box will be greyed out.
  • This option allows a portion of a species to be locked up and not allowed to react.
  • Applying CFE can have a significant effect on the final composition, use of this feature requires detailed knowledge of the process chemistry.
WithBypass Tickbox If this is ticked, then the Bypass tab page will appear.
Options
ShowQUnmapped Tickbox Allows the user to view the QUnmapped and associated tab pages. See Material Flow Section. This is the SysCAD species flows which are not mapped to PHREEQC species, and therefore are not taken into account in the PHREEQC calculation.
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.
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 Copy to Clipboard Button.png When this button is pressed, user can select to copy the Feed or Product information to clipboard.

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 SpeciesLongButton.png
SpeciesShortButton.png
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 Button - Filter On.png
Button - Filter Off.png
This button will enable or disable the species filter options.
ShowUnmapped
(Only visible if Filter is enabled)
Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases
(Only visible if Filter is enabled)
All No filtering of species based on phase.
Solids Only show solid phase species, hide other species.
Liquids Only show liquid phase species, hide other species.
Vapours Only show vapour (gaseous) phase species, hide other species.
Solids & Liquids Only show solid and liquid phase species, hide other species.
Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species.
Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species.
IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the PHREEQC database chosen.
Filters Display Always set to 'Content'.
Content
(Only visible if Filter is enabled)
All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Filter is enabled and Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
(The following tables (one per phase) display the PHREEQC species from the selected database. The user can set the Inert Fraction for each species. Note that liquid ions are not shown on this page as the Inert Fractions cannot be set for them.)
(Each table has the following column (one row per PHREEQC species):)
InertFrac Input The user specified fraction of the species that is considered inert, ie. cannot react to form other species/ions. The presence of the inert fraction is still taken into account when calculating stream properties. This is only available as an input for molecular species (not ions).

Bypass tab page

This tab is only visible if the WithBypass option is enabled on the 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.
Phases A bypass fraction can be set for each phase (Solid, Liquid or Vapour) in the project.
BypassUnmapped BypassUnmapped Button.png If this button is pressed then the bypass fraction for all Unmapped Species will be set to 100%. This is only relevant if BypassMode = Species.
NOTE: There is no automatic undo for this function. It is recommended to bypass all species in the SysCAD model which are not present in the PHREEQC model you are using.
ShowUnmappedSpecies Tickbox If ticked, all the unmapped species will be displayed in a list immediately under this field.
PhaseBypass... (only displayed if BypassMode = Phases)
PhaseBypass.Solid.MF Input Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD solid species. A non-zero value will allow some or all (100%) of the SysCAD solid species to bypass the thermodynamic engine calculations.
PhaseBypass.Liquid.MF Input Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD liquid species. A non-zero value will allow some or all (100%) of the SysCAD liquid species to bypass the thermodynamic engine calculations.
PhaseBypass.Vapour.MF Input Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD vapour species. A non-zero value will allow some or all (100%) of the SysCAD vapour species to bypass the thermodynamic engine calculations.
The remaining fields are only displayed if BypassMode = Species)
On Button - Filter On.png
Button - Filter Off.png
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 Set to GroupValue.png 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.
Phases A bypass fraction can be set for each phase (Solid, Liquid or Vapour) in the project.
BypassUnmapped BypassUnmapped Button.png If this button is pressed then the bypass fraction for all Unmapped Species will be set to 100%. This is only relevant if BypassMode = Species.
NOTE: There is no automatic undo for this function. It is recommended to bypass all species in the SysCAD model which are not present in the PHREEQC model you are using.
ShowUnmappedSpecies Tickbox If ticked, all the unmapped species will be displayed in a list immediately under this field.
PhaseBypass... (only displayed if BypassMode = Phases)
PhaseBypass.Solid.MF Input Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD solid species. A non-zero value will allow some or all (100%) of the SysCAD solid species to bypass the thermodynamic engine calculations.
PhaseBypass.Liquid.MF Input Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD liquid species. A non-zero value will allow some or all (100%) of the SysCAD liquid species to bypass the thermodynamic engine calculations.
PhaseBypass.Vapour.MF Input Only displayed if BypassMode = Phases. The user specified Bypass fraction for all SysCAD vapour species. A non-zero value will allow some or all (100%) of the SysCAD vapour species to bypass the thermodynamic engine calculations.
The remaining fields are only displayed if BypassMode = Species)
On Button - Filter On.png
Button - Filter Off.png
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 Set to GroupValue.png 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.
[email protected] Display The Enthalpy of the final solution per unit mass.
Enthalpy / [email protected] Display The Enthalpy of the final solution.
AqDensity / AqRho Display The density of aqueous species (solution) in the final solution.
IonicStrength / I Display The molar Ionic Strength of the final solution.
pH Display The pH of the final solution.
Alkalinity Display The alkalinity of the final solution.
WaterActivity Display The water activity of the final solution.
TotalDissolvedSolids / TDS Display The mass concentration of Total Dissolved Solids (total aqueous-water) in the final solution.
OsmoticPressure / OsmP Display The Osmotic Pressure of the final solution.
pKw Display The pKw of the final solution.
Zeros Hide Zeros.png
Show Zeros.png
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 PHREEQCDirectCalc 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.
RevMap.IonRxns RevMapIonsCopyToClipboard.png 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.
Summary...
Calculation Summary
LastCalcType Display This displays the type of calculation (OpMode) used for the last calculation.
Remove Remove Duplicates.png 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.
[email protected] Display The Enthalpy of the feed solution per unit mass. This is calculated by PHREEQC.
Enthalpy / [email protected] Display The Enthalpy of the feed solution. This is calculated by PHREEQC.
Feed...
SpeciesName SpeciesLongButton.png
SpeciesShortButton.png
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 Hide Zeros.png
Show Zeros.png
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 Mass.png
Molar.png
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 Copy to Clipboard Button.png 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 Button - Filter On.png
Button - Filter Off.png
This button will enable or disable the species filter options.
ShowUnmapped
(Only visible if Filter is enabled)
Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases
(Only visible if Filter is enabled)
All No filtering of species based on phase.
Solids Only show solid phase species, hide other species.
Liquids Only show liquid phase species, hide other species.
Vapours Only show vapour (gaseous) phase species, hide other species.
Solids & Liquids Only show solid and liquid phase species, hide other species.
Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species.
Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species.
IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the PHREEQC database chosen.
Filters
(Only visible if Filter is enabled)
Content All species which meet the Phase and Content criteria will be displayed.
Content & MassFrac Limit Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
Content & MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
Content & MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Limit Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content
(Only visible when one of
the Content Filter options
is selected)
All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit Input Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count Input Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.)
(Each table (one for each phase) has the following columns (one row for each species):)
MassFlow / Qm Display Visible when StreamView = Mass. The mass flow of the species in the feed stream.
MassFrac / Mf Display Visible when StreamView = Mass. The mass fraction of the species in the feed stream.
PhaseMassFrac / IPh:Mf Display Visible when StreamView = Mass. The mass fraction of the species in the displayed phase.
MoleFlow / QMl Display Visible when StreamView = Mole. The mole flow of the species in the feed stream.
MoleFrac / Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the feed stream.
PhaseMoleFrac / IPh:Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the displayed phase.


Output tab page

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Stream Properties Summary
Prod...
Temperature / T Display The Temperature of the product solution. This is calculated by SysCAD enthalpy context.
Pressure / P Display The Pressure of the product solution.
MassFlow / Qm Display The Mass Flow of the product solution.
[email protected] Display The Enthalpy of the product solution per unit mass. This is calculated by PHREEQC.
Enthalpy / [email protected] Display The Enthalpy of the product solution. This is calculated by PHREEQC.
AqDensity / AqRho Display The density of aqueous species (solution) in the final solution.
IonicStrength / I Display The molal Ionic Strength of the final solution, based on the molality (moles/mass of H2O) and charge of the individual ions.
pH Display The pH of the final solution.
Alkalinity Display The alkalinity of the final solution.
WaterActivity Display The water activity of the final solution.
TotalDissolvedSolids / TDS Display The mass concentration of Total Dissolved Solids (total aqueous-water) in the final solution.
OsmoticPressure / OsmP Display The Osmotic Pressure of the final solution. Please refer to Model Theory - Calculation of Osmotic Pressure for more information.
pKw Display The pKw of the final solution.
RevMap.IonRxns Copy to Clipboard Button.png A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard.
Prod...
SpeciesName SpeciesLongButton.png
SpeciesShortButton.png
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 Hide Zeros.png
Show Zeros.png
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 Mass.png
Molar.png
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 Copy to Clipboard Button.png 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 Button - Filter On.png
Button - Filter Off.png
This button will enable or disable the species filter options.
ShowUnmapped
(Only visible if Filter is enabled)
Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases
(Only visible if Filter is enabled)
All No filtering of species based on phase.
Solids Only show solid phase species, hide other species.
Liquids Only show liquid phase species, hide other species.
Vapours Only show vapour (gaseous) phase species, hide other species.
Solids & Liquids Only show solid and liquid phase species, hide other species.
Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species.
Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species.
IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the PHREEQC database chosen.
Filters
(Only visible if Filter is enabled)
Content All species which meet the Phase and Content criteria will be displayed.
Content & MassFrac Limit Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
Content & MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
Content & MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Limit Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content
(Only visible when one of
the Content Filter options
is selected)
All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit Input Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count Input Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.)
(Each table (one for each phase) has the following columns (one row for each species):)
MassFlow / Qm Display Visible when StreamView = Mass. The mass flow of the species in the product stream.
MassFrac / Mf Display Visible when StreamView = Mass. The mass fraction of the species in the product stream.
PhaseMassFrac / IPh:Mf Display Visible when StreamView = Mass. The mass fraction of the species in the displayed phase.
MoleFlow / QMl Display Visible when StreamView = Mole. The mole flow of the species in the product stream.
MoleFrac / Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the product stream.
PhaseMoleFrac / IPh:Mlf Display Visible when StreamView = Mole. The mole fraction of the species in the displayed phase.
ActivityCoeff Display Only shown for liquid/aqueous species. The activity coefficient of the species.
SatIdx Display Only shown for solid species. The saturation index of the species.
SatIdx.Eff Display Only shown for solid species.
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.
[email protected] Display The Enthalpy difference between the feed and product solutions per unit mass. This is calculated by PHREEQC.
Enthalpy / [email protected] Display The Enthalpy difference between the feed and product solutions. This is calculated by PHREEQC.
Diff...
SpeciesName SpeciesLongButton.png
SpeciesShortButton.png
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 Hide Zeros.png
Show Zeros.png
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 Mass.png
Molar.png
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 Copy to Clipboard Button.png 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 Button - Filter On.png
Button - Filter Off.png
This button will enable or disable the species filter options.
ShowUnmapped
(Only visible if Filter is enabled)
Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown.
Phases
(Only visible if Filter is enabled)
All No filtering of species based on phase.
Solids Only show solid phase species, hide other species.
Liquids Only show liquid phase species, hide other species.
Vapours Only show vapour (gaseous) phase species, hide other species.
Solids & Liquids Only show solid and liquid phase species, hide other species.
Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species.
Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species.
IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the PHREEQC database chosen.
Filters
(Only visible if Filter is enabled)
Content All species which meet the Phase and Content criteria will be displayed.
Content & MassFrac Limit Only species which meet the Phase and Content criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
Content & MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
Content & MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase and Content criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Limit Only species which meet the Phase criteria AND have a mass fraction greater than or equal to the user specified MassFrac.Limit will be displayed.
MassFrac Largest Only the top N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
MassFrac Smallest Only the bottom N species (based on Mass Fraction) which meet the Phase criteria will be displayed, where N = the user specified MassFrac.Count.
Content
(Only visible when one of
the Content Filter options
is selected)
All No filtering of species based on element or name.
Contains Any Element This will display all species that contain any of the elements entered in their elemental definition.
Contains All Elements This will display only species that contain ALL of the elements entered in their elemental definition.
Starts with ... This will display species that start with the text entered based on the short or long species tag depending on the current SpeciesTag selection.
Contains any ... This will display species that contain the text entered in the currently displayed short or long species tag.
Contains All ... This will display species that contain ALL the separate text entered in the currently displayed short or long species tag.
Select Input Only visible if Content is NOT set to All. The user specified Elements or text to filter the species list. Refer to Species Filter for more information and examples.
MassFrac.Limit Input Only visible if Filters = Content & MassFrac Limit or MassFrac Limit. The user specified MassFrac Limit, the maximum mass fraction to be displayed.
MassFrac.Count Input Only visible if Filters = Content & MassFrac Largest, Content & MassFrac Smallest, MassFrac Largest or MassFrac Smallest. The user specified Mass Frac Count, the maximum number of species to be displayed.
(The following tables display the mass/mole flow, mass/mole fraction of the individual species.)
(Each table (one for each phase) has the following columns (one row for each species):)
MassFlow / Qm Display Visible when StreamView = Mass. The difference in mass flow of the species.
MassFrac / Mf Display Visible when StreamView = Mass. The difference in mass fraction of the species.
PhaseMassFrac / IPh:Mf Display Visible when StreamView = Mass. The difference in mass fraction of the species in the displayed phase.
MoleFlow / QMl Display Visible when StreamView = Mole. The difference in mole flow of the species.
MoleFrac / Mlf Display Visible when StreamView = Mole. The difference in mole fraction of the species.
PhaseMoleFrac / IPh:Mlf Display Visible when StreamView = Mole. The difference in mole fraction of the species in the displayed phase.


ElemBal tab page

This tab performs an element balance between the PHREEQC Input and Output streams and separately, between the SysCAD Input and Output streams.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
ElemBal...
Tol.SigDigits Input 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.
Tol.Abs Input The absolute tolerance for Element Balance (Input - Output). If the absolute error is > Tol.Abs then an error is generated.
PHREEQC...
ElementBalanceView Mass.png
Molar.png
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 Hide Zeros.png
Show Zeros.png
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 Mass.png
Molar.png
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 Hide Zeros.png
Show Zeros.png
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 Mass.png
Molar.png
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 Hide Zeros.png
Show Zeros.png
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.

Preset tab page

The Preset page contains a Copy to Clipboard button which copies the current temperature, pressure and composition of the Preset to the clipboard for pasting into external programs such as Excel.

This page is used to set the required composition of the Pond when it is Preset. This is identical in functionality to the DSp page used in Feeders.

Adding this Model to a Project

Insert into Configuration file

Sort either by DLL or Group.

 

DLL:

ScdPHREEQC.dll

Units/Links

TCE PHREEQC: PHREEQC Pond (Dynamic)

or

Group:

Energy Transfer

Units/Links

TCE PHREEQC: PHREEQC Pond (Dynamic)

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


Insert into Project

 

Insert Unit

TCE PHREEQC

PHREEQC Pond (Dynamic)

See Insert Unit for general information on inserting units.