PHREEQC Pond
NOTE: This feature is distributed with SysCAD but is currently in BETA. Please contact us ([email protected]) if you run into any issues using this model. This page is currently under development and details may change. Use with caution - we do not guarantee compatibility between different BETA versions. |
Navigation: Models ➔ TCE Models ➔ PHREEQC ➔ PHREEQC Pond
Latest SysCAD Version: 25 October 2024 - SysCAD 9.3 Build 139.36522
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
- The user MUST have added and configured a PHREEQC Model Configuration unit in the SysCAD project before this unit can function.
- Installation of PHREEQC is not required to use the PHREEQC functionality in SysCAD. If the user wishes to install PHREEQC, please see https://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.
- User connects the PHREEQC Pond 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 Pond 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.
- If the PHREEQC Pond is in Side Calc mode, the results are NOT converted into SysCAD species. (SysCAD stream outlet = sum of SysCAD inlet streams, no change will occur)
- If the PHREEQC Pond is in Reactor mode, then 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:
- 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.
- On the PHREEQCPond 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 PHREEQCPond 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
- PHREEQCPond tab - The first tab contains general information relating to the unit and allows the user to configure the unit.
- Outlets tab - Optional tab, only visible if one of the optional slurry outlets are connected (CL_Out, Bed_Out or Seepage). This tab allows user to configure the various outputs from the pond as defined in the list of outputs above.
- Results tab - Contains results of the model including summary of content parameters.
- TCE tab - Optional tab, only visible if Rxns.Option = TCE. This tab allows the user to choose the corresponding PHREEQC Model Configuration unit and set other TCE options.
- CFE - Optional tab, only visible if Rxns.Option = TCE and the UseCFE option is enabled on the TCE tab page.
- Bypass - Optional tab, only visible if Rxns.Option = TCE and the WithBypass option is enabled on the TCE tab page.
- RxnBypass - Optional tab, only visible if Rxns.Option = TCE and the WithBypass option is enabled on the TCE tab page.
- PHREEQCResults tab - Optional tab, only visible if Rxns.Option = TCE. This tab displays the key results of the calculations.
- Input tab - Optional tab, only visible if Rxns.Option = TCE. This tab displays a summary of the mapped Input stream as PHREEQC species.
- Output tab - Optional tab, only visible if Rxns.Option = TCE. 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 Rxns.Option = TCE and 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 - Optional tab, only visible if Rxns.Option = TCE. This tab displays an elemental balance between the Input and Output streams.
- PhDeport tab - Optional tab, only visible if Rxns.Option = TCE and 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 Rxns.Option = TCE and the IPhaseElemDeportment option is enabled on the TCE tab page. This tab shows the movement of elements for the individual PHREEQC phases.
- QUnmapped - Optional tab, only visible if Rxns.Option = TCE and ShowQUnmapped is enabled on the TCE tab page.
- QRxnUnmapped - Optional tab, only visible if Rxns.Option = TCE and ShowQRxnUnmapped is enabled on the TCE tab page.
- QBypass - Optional tab, only visible if Rxns.Option = TCE and ShowQBypass is enabled on the TCE tab page.
- QRxnBypass - Optional tab, only visible if Rxns.Option = TCE and ShowQRxnBypass is enabled on the TCE tab page.
- CRB - Optional tab, only visible if Rxns.Option = CRB.
- 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.
- 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.
- 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.
- Content tab - contains data on the material in the pond.
- Preset tab - Optional tab, only visible if UsePreset option is enabled on the first tab page. Allows user to define the Preset composition.
- QCL - Optional tab, only visible if the CL_Out outlet is connected and ShowQCL is enabled on the first tab page. This page shows the properties of the CL_Out stream.
- QBed - Optional tab, only visible if the Bed_Out outlet is connected and ShowQBed is enabled on the first tab page. This page shows the properties of the Bed_Out stream.
- 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.
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 UnitType or SubClass. |
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. |
Rxns.Option | None | There are no reactions in the pond. |
TCE | PHREEQC calculations will be performed on the pond contents. | |
CRB | The user can specify reactions to occur on the pond contents. If this is selected then the associated page, CRB becomes visible and may be configured. Note: The user does not have to configure a reaction file, even if this option is selected. | |
TCE_LiqBypassFrac | Input | Only visible if Rxns.Options = TCE. The fraction of the liquids that bypass the PHREEQC calculations. |
TCE_SolBypassFrac | Input | Only visible if Rxns.Options = TCE. The fraction of the solids that bypass the PHREEQC calculations. |
Rxns.LiqBypassFrac | Input | Only visible if Rxns.Options = CRB. The fraction of the liquids that bypass the reaction block. |
Rxns.SolBypassFrac | Input | Only visible if Rxns.Options = CRB. The fraction of the solids that bypass the reaction block. |
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. |
ShowCL | Tickbox | Only visible if BedLayer.Partition has been enabled. Allows the user to view the CL and associated tab pages, showing the properties of the Clarified Liquor layer. See Material Content Section. |
ShowQCL | Tickbox | Only visible if CL_Out outlet has been connected. Allows the user to view the QCL and associated tab pages, showing the properties of the Clarified Liquor outlet stream. See Material Flow Section. |
ShowQBed | Tickbox | Only visible if Bed_Out outlet has been connected. Allows the user to view the QBed and associated tab pages, showing the properties of the Bed outlet stream. See Material Flow Section. |
Outlets tab page
Notes:
- All gases exit via the Gas Vent and cannot exit via normal Outlet links.
- 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... | ||
ConnectedPipe | Display | The tag of the connected pipe for the Clarified Liquor Outlet. |
Order | Display | The order used for determining outlet flows. |
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. | |
Individual Phase | Allows the user to specify an individual phase to draw from the pond. | |
Composition.SolidFrac / Sf | Input | Only visible if Filter = Composition. The required solid fraction of the stream. |
Composition.LiquidFrac / Lf | Input | Only visible if Filter = Composition. The required liquid fraction of the stream. |
Composition.VapourFrac / Vf | Input | Only visible if Filter = Composition. The required vapour fraction of the stream. |
IPhase / IPh | Input | Only visible if Filter = Individual Phase. The required individual phase of the stream. |
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 with the ByMassFlow method. 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 with the ByVolumeFlow method. 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. | |
BatchClearOnEmpty | Tickbox | If enabled, any remaining batch amount will be cleared on Empty action command. |
BatchUsePreset | Tickbox | This enables the use of 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... | ||
ConnectedPipe | Display | The tag of the connected pipe for the Seepage Outlet. |
Order | Display | The order used for determining outlet flows. |
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. | |
Individual Phase | Allows the user to specify an individual phase to draw from the pond. | |
Composition.SolidFrac / Sf | Input | Only visible if Filter = Composition. The required solid fraction of the stream. |
Composition.LiquidFrac / Lf | Input | Only visible if Filter = Composition. The required liquid fraction of the stream. |
Composition.VapourFrac / Vf | Input | Only visible if Filter = Composition. The required vapour fraction of the stream. |
IPhase / IPh | Input | Only visible if Filter = Individual Phase. The required individual phase of the stream. |
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 with the ByMassFlow method. 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 with the ByVolumeFlow method. 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. | |
BatchClearOnEmpty | Tickbox | If enabled, any remaining batch amount will be cleared on Empty action command. |
BatchUsePreset | Tickbox | This enables the use of 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... | ||
ConnectedPipe | Display | The tag of the connected pipe for the Bed Outlet. |
Order | Display | The order used for determining outlet flows. |
Composition.SolidFrac / Sf | Input | The required solid fraction of the stream. |
Composition.LiquidFrac / Lf | Input | The required liquid fraction of the stream. |
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 with the ByMassFlow method. 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 with the ByVolumeFlow method. 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. | |
BatchClearOnEmpty | Tickbox | If enabled, any remaining batch amount will be cleared on Empty action command. |
BatchUsePreset | Tickbox | This enables the use of 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. |
Results tab page
Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
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.SolidFrac / Sf | Calc | The current fraction of solids in 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 (CL) (This section is only visible if BedLayer.Partition has been enabled.) | ||
CL.TotalMass / Mt | Calc | The current mass of the contents of the clarified liquor layer. |
CL.TotalVol / Vt | Calc | The current volume of the contents of the clarified liquor layer. |
CL.SolidFrac / Sf | Calc | The current fraction of solids in the clarified liquor layer. |
CL.ContentFrac | Calc | The fraction by volume of the clarified liquor layer compared to the total volume of the contents of the pond (CL.TotalVol / TotalVol). |
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) (This section is only visible if Rxns.Options = TCE.) | ||
TCE.Mt | Calc | |
TCE.HeatFlow | Calc | |
Bypass.Mt | Calc | |
Bypass.HeatFlow | Calc | |
Results Summary (CRB) (This section is only visible if Rxns.Options = CRB.) | ||
Rxns.Mt | Calc | |
Rxns.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. |
CL.MassFlow / Qm | Calc | Visible if CL_Out stream is connected. The mass flow of the Clarified Liquor (CL_Out) stream. |
Seepage.MassFlow / Qm | Calc | Visible if Seepage stream is connected. The mass flow of the Seepage stream. |
Bed.MassFlow / Qm | Calc | Visible if Bed_Out stream is connected. The mass flow of the Bed outlet (Bed_Out) stream. |
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 | |
BedLayer.HeatFlow | Calc | Only visible if BedLayer.Partition has been enabled. |
Evap.HeatFlow | Calc | The energy (heat) required for evaporation of water. |
Bypass.HeatFlow | Calc | |
TCE.HeatFlow | Calc | Only visible if Rxns.Options = TCE. |
Rxns.HeatFlow | Calc | Only visible if Rxns.Options = CRB. |
HeatFlow | Calc | The sum of all heat flows. |
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. |
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 | ||
VLEModel | Display | Displays the VLE model used. |
WithBypass | Tickbox | If this is ticked, then the Bypass tab page will appear. |
Select dependent variable and target value | ||
OpMode... | ||
Target calculation details (only displayed if OpMode ≠ Temperature or FeedT) | ||
TargCalc... | ||
UseRelaxation | Tickbox | |
RelaxationFactor | Input | The RelaxationFactor, used when UseRelaxation is ticked. Values limits: 0.001 < RelaxationFactor < 5. |
Settings | If the user clicks on this button, the all the target solver settings will be reset to their default values. | |
SpMoleFlow / QMl | Display | Only shown if AdjustVar.Method = AdjustQMl. The actual mole flow used of the adjusted species. |
SpMoleFlow / Qm | Display | Only shown if AdjustVar.Method = AdjustQMl. The actual mass flow used of the adjusted species. |
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. | |
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. |
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. |
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
Input tab page
Output tab page
Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
Content 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. |
Mass / M | Display | The Mass of the product solution. |
Hf@T | Display | The Enthalpy of the product solution per unit mass. This is calculated by PHREEQC. |
Enthalpy / totHf@T | 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. |
PHREEQCInput | When this button is pressed the Product information will be copied to the 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. | |
(The following tables display the mass/moles, mass/mole fraction of the individual species.) (Each table (one for each phase) has the following columns (one row for each species):) | ||
Mass / M | Display | Visible when StreamView = Mass. The mass 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. |
Moles / Ml | Display | Visible when StreamView = Mole. The moles 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 contents.
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.
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.
IPhDeport tab page
This tab is only visible if IPhaseElemDeportment is ticked. This tab shows the mass movement of elements for each PHREEQC phase.
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:Dynamic: PHREEQC Pond |
or |
Group: |
Energy Transfer |
→ |
Units/Links |
→ |
TCE PHREEQC:Dynamic: PHREEQC Pond |
See Model Selection for more information on adding models to the configuration file.
Insert into Project
|
Insert Unit |
→ |
TCE PHREEQC |
→ |
Dynamic |
→ |
PHREEQC Pond |
See Insert Unit for general information on inserting units.