# OLI Side Calc Model

Navigation: Models ➔ TCE Models ➔ OLI ➔ OLI Side Calc Model

Available in Build 139.3848 and later. The above set of OLI unit models uses OLI version 11 or later.

## General Description

The OLI Side Calc model allows the user to 'call' the OLI solver to determine the state of a defined SysCAD stream/s. The user defines the SysCAD stream/s of interest, and the unit will then determine the equilibrium conditions of the resulting stream at the user defined conditions such as temperature or enthalpy. This is similar to the use of the OLI Reactor using the Side Calc model option.

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

Notes

1. The user MUST have added and configured a OLI Model Configuration unit in the SysCAD project before this unit can function.
2. The user MUST have installed a version of OLI on their computer to make use of the OLI functionality in SysCAD. Please see www.olisystems.com for more information.

### Diagram

The diagram shows the default drawing of a OLI Side Calc unit model. For side calculations with multiple incoming streams and containers, the combined stream pressure will be set to the lowest pressure of the incoming streams or containers that contain a flow or mass, respectively.

## Inputs and Outputs

There are no connections to this unit.

## Model Theory

The OLI Side Calc Model uses the OLI algorithms and data to determine the status of the aqueous solution in the defined stream/s.

Mapping of the SysCAD to OLI streams is done via Species Mapping.

The OLI Side Calc model allows the user to 'call' the OLI solver to determine the state of a defined SysCAD stream/s. The model has no links to any other models in SysCAD.

1. User defines the stream/s to be analysed by the OLI Side Calc model.
2. The SysCAD feed stream(s) using SysCAD species is converted into OLI "Input" using OLI Species. The species mapping is defined in the corresponding OLI Model Configuration unit model.
3. The OLI Side Calc calls the OLI algorithms to determine the status of the mixture using the converted OLI "input" data.
4. The OLI results are displayed in the "output" tab using OLI species.
• The results are NOT converted into SysCAD species.

NOTES:

• The side calculation mixed feed stream pressure is calculated as the minimum pressure of all incoming streams.
• The Input, Output and Diff tab pages are displayed using OLI species, as defined in the database (.dbs) specified in the corresponding OLI 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 OLI directly, except the contents of the SysCAD stream are mapped to equivalent OLI species using the settings defined in the OLI Model Configuration unit model.
• Important note on energy balance: When EquilibrateFeedStreams is checked, the Side Calc feed enthalpy in the OLI context is determined from the equilibrium composition of the Side Calc feed as calculated by OLI at the SysCAD stream temperature and pressure. If one or more of the SysCAD streams feeding the OLI Side Calc are far from equilibrium and will generate significant heat upon reaction (e.g. a stream containing unreacted HCl and NaOH, for example), the OLI calculated heat of reaction will be incorrect. In this case, the unreacted species should be reacted prior to feeding them to the OLI Side Calc. Ensure that both the OLI and SysCAD energy balances are reasonable.

## WorkFlow

The suggested workflow for configuring the model is:

1. Make sure the project contains at least one of the OLI Model Configuration model, and the model is loaded with the correct OLI database file you would like to use for the side calculation.
2. On the OLISideCalc tab page, type in the name of the SysCAD stream/s or content you wish to evaluate (eg: P_001.Qo OR TNK_001.QFeed). In Build 139 or later, multiple streams with multipliers can be specified.
3. Choose when to perform the calculation.
4. On the TCE tab page, select the correct ChemModel (to match step 1) (Note: In older builds, this selection was made on the OLISideCalc tab page).
5. Choose the Target Calculation OpMode and fill in the required information based on the mode selection. (Note: In older builds, these selections were made on the OLISideCalc tab page).
6. Perform an equilibrium calculation by pressing the "Calculate" button on the OLISideCalc tab page or pressing Solve in SysCAD.
7. The Results are displayed on the OLIResults and Output tabs.

Suggestions on how to use the results:

• The OLI Side Calc results can be used to assist with the configuration of with a SysCAD unit, normally with Reactions sub-model switched on. Based on the results of the OLI Side Calc, the reaction and reaction extents can be configured to match results from the OLI Side Calc. The user can use the Set Tag Controller to transfer OLI Side Calc results to the SysCAD unit reaction block.

## Data Sections

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

1. OLISideCalc tab - This first tab allows the user to choose the desired SysCAD stream/s and set some general options.
2. TCE tab - This tab allows the user to choose the corresponding OLI Model Configuration unit and set other TCE options.
3. QFeed - Optional tab, only visible if ShowQFeed is enabled on the first tab page.
4. VLE - Optional tab, only visible if the UseSysCADVLE/VLE.On 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. OLIResults tab - This tab displays the key results of the calculations.
8. Input tab - This tab displays a summary of the mapped Input stream as OLI species.
9. Output tab - This tab displays the Output stream results including the amounts of each OLI 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 individual OLI phases.
14. UnitTag.ParamSweep tab - Optional tab, only visible if the ShowPlotter option is enabled on the TCE tab page. This tab allows the user to generate sets of data.
15. SpForPlot tab - Optional tab, only visible if the SelectSp option is enabled on the UnitTag.ParamSweep tab. This tab allows the user to select which species to be reported in the sets of data to be generated.
16. QUnmapped - Optional tab, only visible if ShowQUnmapped is enabled on the TCE tab page.
17. QRxnUnmapped - Optional tab, only visible if ShowQRxnUnmapped is enabled on the TCE tab page.
18. QBypass - Optional tab, only visible if ShowQBypass is enabled on the TCE tab page.
19. QRxnBypass - Optional tab, only visible if ShowQRxnBypass is enabled on the TCE tab page.
20. AppSp tab - Optional tab, only visible if the ShowAppSp option is enabled on the TCE tab.
21. QProd - Optional tab, only visible if ShowQProd is enabled on the first tab page.
22. Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.

### OLISideCalc tab page

Unit Type: OLISideCalc - 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 On Tickbox If this option is deselected, the OLI SideCalc model will not be operational and thus no calculations will be performed. Pressure / P Input The pressure at which the OLI side calculation is to be performed at. StreamCount Input The number of SysCAD streams to be combined together prior to performing the OLI side calculation. For each stream, the StreamTag and Multiplier will need to be specified. ContainerCount Input Only available in a dynamic project. The number of SysCAD contents to be combined together prior to performing the OLI side calculation. For each content, the ContainerTag and Multiplier will need to be specified. StreamX.SourceTag Input Not displayed if StreamCount=0. For stream X, the tag of the stream that the user wants to perform a OLI side calculation on. The format is: [Unit Operation Tag Name].[Tab Page Name] Examples: XPG_1.QProd, P_1.Qo, X_1.QProd, TNK_1.QFeed StreamX.Ratio Input Not displayed if StreamCount=0. For stream X, the ratio to be applied to the mass flow of the stream prior to performing the OLI side calculation. This is particularly important when mixing several streams prior to performing the OLI side calculation. StreamX.Phase Not displayed if StreamCount=0. All The full contents of stream X will be part of the OLI side calculation. Gas Only the gaseous phase of stream X will be part of the OLI side calculation. Liq Only the liquid phase of stream X will be part of the OLI side calculation. Sol Only the solid phase of stream X will be part of the OLI side calculation. SL Only the solid and liquid phases of stream X will be part of the OLI side calculation. SG Only the solid and gaseous phases of stream X will be part of the OLI side calculation. LG Only the liquid and gaseous phases of stream X will be part of the OLI side calculation. ContainerX.SourceTag Input Only available in a dynamic project. Not displayed if ContainerCount=0. The tag of the content that the user wants to perform a OLI side calculation on. The format is: [Unit Operation Tag Name].[Tab Page Name] Examples: TNK_001.Content ContainerX.Ratio Input Only available in a dynamic project. Not displayed if ContainerCount=0. For content X, the ratio to be applied to the mass of the content prior to performing the OLI side calculation. This is particularly important when mixing several contents or streams prior to performing the OLI side calculation. ContainerX.Phase Only available in a dynamic project. Not displayed if ContainerCount=0. All The full contents of content X will be part of the OLI side calculation. Gas Only the gaseous phase of content X will be part of the OLI side calculation. Liq Only the liquid phase of content X will be part of the OLI side calculation. Sol Only the solid phase of content X will be part of the OLI side calculation. SL Only the solid and liquid phases of content X will be part of the OLI side calculation. SG Only the solid and gaseous phases of content X will be part of the OLI side calculation. LG Only the liquid and gaseous phases of content X will be part of the OLI side calculation. Drain.Mode Only available in a dynamic project. Not displayed if ContainerCount=0. MatchToStep Drain time is equal to the step size of the project. For example, a content containing 10 tonnes of material (after ratios and phase selections have been applied), with a project Step Size of 2 hours, would result in stream of 5 t/h of material being evaluated by the OLI solver. Normalised Flow of material from all contents is set to 1 kg/s (3.6 t/h). Note this is after ratios are applied. DrainTime User can specify the drain time to be used, see Drain.Time below. DrainRate User can specify the drain rate, see Drain.MassFlow below. Drain.Time Input Only available in a dynamic project and if Drain.Mode = DrainTime. The time parameter used to convert the content information into a stream (as required by OLI). For example, a content containing 10 tonnes of material (after ratios and phase selections have been applied), with a Drain.Time of 2 hours, would result in stream of 5 t/h of material being evaluated by the OLI solver. Drain.MassFlow / Qm Input Only available in a dynamic project and if Drain.Mode = DrainRate. The flow of material from all contents is set to this value. Note this is after ratios are applied. CheckTags If the user clicks on this button, SysCAD will check that the SourceTag values are valid tags. CalcWhen Manual The side calculation will only be performed if the user presses the Calculate button. Each Iter The side calculation will be performed at the end of each iteration during the model run. Each N Iters The side calculation will be performed at the end of each N iterations during the model run. OnStop The side calculation will be performed once at the end of the run when the model is stopped. ItersBetweenCalc Input Only available if CalcWhen = Each N Iters. The number of iterations between calculations. MapToProdStream Tickbox If checked, reverse mapping will be done to display the SysCAD product stream. Calculate Click on this button to perform the side calculation to determine the conditions of the final solution, based on the specified target value. Options 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 the PHREEQC calculations. ShowQProd Tickbox Only available if MapToProdStream has been enabled. Allows the user to view the QProd and associated tab pages, showing the properties of the products. See Material Flow Section. This will be after the PHREEQC calculations have been applied.

### TCE tab page

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options This program contains OLI Engine Copyright OLI Systems, USA Chemistry Model ChemModel... UnitTag List The tag of the relevant OLI Model Configuration unit model- this may be chosen from the drop down list of all OLI Model Configuration unit models available in the project. ModelCfgTagUsed/ModelCfgTag Display The tag of the relevant OLI Model Configuration unit model. Check If the user clicks on this button, SysCAD will check that the UnitTag is a valid OLI Model Configuration unit model. ConnOK Tickbox If SysCAD finds a valid OLI Model Configuration unit model, then this field will be enabled. Status OK The specified chemistry model (OLI 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 (OLI 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 (OLI Model Configuration) needs to be initialised. ChemModel Load Required The database of the specified Chemistry Model ((OLI Model Configuration) needs to be loaded. DLL or Version Error There is a problem with the OLI DLL or version. Init Failed Initialisation of the specified Chemistry Model ((OLI 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 OLI 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 OLI calculation fails. Pause The model will pause solving if the OLI calculation fails. Stop The model will stop solving if the OLI calculation fails. Requirements EquilibrateFeedStreams Tickbox Allows user to select whether or not to calculate equilibrium for each individual feed stream. If ticked, then the equlibrium composition and enthalpy of each feed stream will be calculated and used in the calculation. Otherwise, the enthalpy will be calculated as the total enthalpy considering each constituent in the feed (not at equilibrium), i.e. $\displaystyle{ H = \Sigma{n_i(H_{i,25} + \int{C_{p,i} dT)}} }$. EquilibrateSolidFeedStreams Tickbox This applies to feed streams containing 100% solids only. Allows user to select whether or not to calculate equilibrium for each individual feed streams which are 100% solids. If ticked, then the equilibrium composition and enthalpy of each 100% solids feed stream will be calculated and used in the calculation. Otherwise, the enthalpy will be calculated as the total enthalpy considering each constituent in the feed (not at equilibrium), i.e. $\displaystyle{ H = \Sigma{n_i(H_{i,25} + \int{C_{p,i} dT)}} }$. 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... OpMode Temperature The target variable is the Temperature of the final solution. FeedT The target variable is the Temperature of the feed solution. Enthalpy OLI The target variable is the Enthalpy of the final solution. OLI Enthalpy is maintained. TemperatureReqd / T_Reqd Input Only visible if OpMode = Temperature. The user specified target temperature for the final solution. dEnth.Reqd / dH.Reqd Input Only visible if OpMode = Enthalpy OLI. The user specified target duty. CalcEnthalpy Tickbox Visible when OpMode ≠ Enthalpy OLI. If the calculation requires a heat balance, then this option should be selected. If heat balance is not required, untick this option to save on computation time. Note: unticking this option will also remove the enthalpy display from the Input and Output tabs. Select independent variable to adjust to achieve target (The following section is only displayed if OpMode ≠ Temperature or FeedT) AdjustVar... Method AdjustT The chosen independent variable for adjustment is Temperature. AdjustQMl The chosen independent variable is flow of an individual species. InitTemperature / InitT Input Only visible if Method = AdjustT. The initial guess to be used for the temperature of the final solution. MaxTemperature / MaxT Input Only visible if Method = AdjustT. The maximum temperature of the final solution. SelPhase... (only visible if Method = AdjustQMl) Filter Input Only visible if Method = AdjustQMl. Allows user to optionally shorten the Phase Selection list (PhaseFilter) by entering in some letters from the desired phase. PhaseFilter List Only visible if Method = AdjustQMl. The user can select one phase from the list of all phases in the OLI database. The list will not show all phases if user has entered some letters in the Filter field above. SelSp... (only visible if Method = AdjustQMl) Filter Input Only visible if Method = AdjustQMl. Allows user to optionally shorten the Species Selection list (TargSpAdjust) by entering in some letters from the desired species. TargSpAdjust List Only visible if Method = AdjustQMl. The user can select a single species to have limits imposed from the list of all species in the OLI database. The list will be limited to those in the selected phase (SelPhase) and will not show all species if user has entered some letters in the Contains field above. MoleBasis Tickbox Only visible if Method = AdjustQMl. If this box is ticked, user specifies the minimum and maximum mole flow of selected species. If this is not ticked, user can specify these flows in terms of mass flow. MinSpMassFlow / QmMin Input Only visible if Method = AdjustQMl and MoleBasis is not ticked. The minimum mass flow of the selected species in the final solution. MaxSpMassFlow / QmMax Input Only visible if Method = AdjustQMl and MoleBasis is not ticked. The maximum mass flow of the selected species in the final solution. MinSpMoleFlow / QMlMin Input Only visible if Method = AdjustQMl and MoleBasis is ticked. The minimum mole flow of the selected species in the final solution. MaxSpMoleFlow / QMlMax Input Only visible if Method = AdjustQMl and MoleBasis is ticked. The maximum mole flow of the selected species in the final solution. 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. Solver Options UseSysCADSolver Tickbox Only visible when OpMode = Enthalpy OLI. Whether to use internal SysCAD solver or internal solver of OLI Engine. CalcElectricalConductivity Tickbox Whether to calculate electrical conductivity. CalcViscosity Tickbox Whether to calculate viscosity. CalcHeatCapacity Tickbox Whether to calculate heat capacity. OLI Environmental Heat Transfer OLI.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. OLI.EHX.HeatLossReqd Input Visible when the HeatLossMethod = Fixed HeatFlow. The required heat loss. OLI.EHX.HTC Input Visible when the HeatLossMethod = Ambient. The Overall Heat Transfer coefficient. OLI.EHX.Area Input Visible when the HeatLossMethod = Ambient. The Heat Transfer area. OLI.EHX.AmbientT Display Visible when the HeatLossMethod = Ambient. The ambient temperature. The ambient temperature is specified in the Plant Model - Environment_Tab OLI.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 OLI species, and therefore are not taken into account in the OLI 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 OLI 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 OLI and the OLI 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 OLI 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. ShowAppSp Tickbox If this is ticked then the AppSp tab page will appear.

### 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.

### 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.

### 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 OLI. Enthalpy / [email protected] Display The Enthalpy of the feed solution. This is calculated by OLI. Feed... SpeciesName The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. Zeros If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden.If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow. StreamView If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view. Stream Mass Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Mole Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped Mass Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. Unmapped Mole Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. Filter View Filter This button will enable or disable the species filter options. ShowUnmapped(Only visible if Filter is enabled) Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown. Phases(Only visible if Filter is enabled) All No filtering of species based on phase. Solids Only show solid phase species, hide other species. Liquids Only show liquid phase species, hide other species. Vapours Only show vapour (gaseous) phase species, hide other species. Solids & Liquids Only show solid and liquid phase species, hide other species. Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species. Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species. IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the OLI 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 OLI. 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 OLI. Enthalpy / [email protected] Display The Enthalpy of the product solution. This is calculated by OLI. RedoxPotential / ORP Display VapCompressibility / VapCompress Display Liquid1.VolumeFlow / Liq1.Qv Display Liquid1.Enthalpy / [email protected] Display Liquid1.ThermCond / Liq1.k_cond Display Vapour.ThermCond / Vap.k_cond Display ElecConductivity / [email protected] Display The electric conductivity of the final solution. RevMap.IonRxns A table of Ion Rebuild Reactions (ions->species) and their extents will be copied to the clipboard. Prod... SpeciesName The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. Zeros If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden.If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow. StreamView If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view. Stream Mass Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Mole Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped Mass Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. Unmapped Mole Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. Filter View Filter This button will enable or disable the species filter options. ShowUnmapped(Only visible if Filter is enabled) Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown. Phases(Only visible if Filter is enabled) All No filtering of species based on phase. Solids Only show solid phase species, hide other species. Liquids Only show liquid phase species, hide other species. Vapours Only show vapour (gaseous) phase species, hide other species. Solids & Liquids Only show solid and liquid phase species, hide other species. Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species. Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species. IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the OLI 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 OLI. Enthalpy / [email protected] Display The Enthalpy difference between the feed and product solutions. This is calculated by OLI. Diff... SpeciesName The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. Zeros If the Hide Zeros button is clicked, all species that have NO mass flow will be hidden.If the Show Zeros button is clicked, all species will be displayed, including those with zero mass flow. StreamView If the Mass button is clicked, the species will be shown in mass flow view. If the Mole button is clicked, the species will be shown in mole flow view. Stream Mass Copy stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Mole Copy stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped Mass Copy unmapped stream contents to clipboard, mass basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. Unmapped Mole Copy unmapped stream contents to clipboard, mole basis, for pasting into Excel. If Zeros is set to hide, zero values will not be copied to the clipboard. Unmapped species are those which will not be mapped to the exiting SysCAD stream. Filter View Filter This button will enable or disable the species filter options. ShowUnmapped(Only visible if Filter is enabled) Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown. Phases(Only visible if Filter is enabled) All No filtering of species based on phase. Solids Only show solid phase species, hide other species. Liquids Only show liquid phase species, hide other species. Vapours Only show vapour (gaseous) phase species, hide other species. Solids & Liquids Only show solid and liquid phase species, hide other species. Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species. Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species. IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the OLI 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 OLI 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. OLI... ElementBalanceView If the Mass button is clicked, the elements will be shown in mass flow view.If the Mole button is clicked, the elements will be shown in mole flow view. Zeros If the Hide Zeros button is clicked, all elements that have NO mass flow will be hidden.If the Show Zeros button is clicked, all elements will be displayed, including those with zero mass flow. OLI 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 OLI Input stream. FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the OLI 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 OLI Output and Input streams. FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the OLI Input stream. FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the OLI Output stream. AbsErr / QMl.Err Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the OLI Output and Input streams. RelErr Display The relative difference in flow of the element between the OLI Output and Input streams, relative to the Input stream. Scd... SysCAD Element Balance (The following table displays the mass/molar flows, and absolute and relative errors of the individual elements.)The table has the following columns (one row for each element): FlowIn / Qm.In Display Visible when ElementBalanceView = Mass. The mass flow of the element in the SysCAD Input stream. FlowOut / Qm.Out Display Visible when ElementBalanceView = Mass. The mass flow of the element in the SysCAD Output stream. The QRxnBypass stream is also included in this total. This can be viewed by clicking "ShowQRxnBypass". AbsErr / Qm.Err Display Visible when ElementBalanceView = Mass. The difference in mass flow of the element between the SysCAD Output and Input streams. FlowIn / QMl.In Display Visible when ElementBalanceView = Mole. The molar flow of the element in the SysCAD Input stream. FlowOut / QMl.Out Display Visible when ElementBalanceView = Mole. The molar flow of the element in the SysCAD Output stream. AbsErr / QMl.Err Display Visible when ElementBalanceView = Mole. The difference in molar flow of the element between the SysCAD Output and Input streams. RelErr Display The relative difference in flow of the element between the SysCAD Output and Input streams, relative to the Input stream.

### PhDeport tab page

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

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

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

### ParamSweep tab page

This tab is only visible if ShowPlotter is ticked and the model has been successfully run.

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

### SpForPlot tab page

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

 Tag (Long/Short) Input / Calc Description/Calculated Variables / Options SpForPlot... SpeciesName The Species:Long or Short button is used to change the display of the Species names between the Short form, the Chemical compound, or the longer species names. SelectVisible User can select all the species which are currently visible in the access window. The ones that are visible may be limited by use of the Filter (see options below). UnselectVisible User can unselect all the species which are currently visible in the access window. The ones that are visible may be limited by use of the Filter (see options below). Filter View Filter This button will enable or disable the species filter options. ShowUnmapped(Only visible if Filter is enabled) Tickbox When enabled, all species will be displayed. When disabled, only species that are mapped to a SysCAD species will be shown. Phases(Only visible if Filter is enabled) All No filtering of species based on phase. Solids Only show solid phase species, hide other species. Liquids Only show liquid phase species, hide other species. Vapours Only show vapour (gaseous) phase species, hide other species. Solids & Liquids Only show solid and liquid phase species, hide other species. Solids & Vapours Only show solid and vapour (gaseous) phase species, hide other species. Liquids & Vapours Only show liquid and vapour (gaseous) phase species, hide other species. IPhase Only show "IPhase" individual phase species, hide other species. The individual phases shown will depend on the OLI 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 OLI species from the selected database. The user can select any number of species.)(Each table has the following column (one row per OLI species):) Select Tickbox The properties (selected on the ParamSweep tab) of the selected species will be reported when the Generate function (ParamSweep tab) is used. SetAll...(displayed at the end of each phase) SelectAll User can select all the species in the relevant phase. UnselectAll User can unselect all the species in the relevant phase.

### AppSp tab page

This shows the apparent species (whole salts, acids, and bases) predicted using the OLI algorithm for species assembly from ions listed in the Output. Species are separated into individual phase tables.

## Adding this Model to a Project

Insert into Configuration file

Sort either by DLL or Group.

 DLL: ScdOLI2.dll → Units/Links → TCE OLI: OLI SideCalc or Group: General → Units/Links → TCE OLI: OLI SideCalc