OLI Reactor
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NOTE: This is a LEGACY model, available in the current build for backwards compatibility. It is being phased out and may have limited functionality. Documentation may be outdated. Please consider changing to the most recent version of the model. |
Navigation: Models ➔ TCE Models ➔ OLI Reactor
Related Links: OLI Legacy Example Project
General Description
The OLI Reactor model allows the user to 'call' the OLI analyser to determine the state of an aqueous solution. The composition, temperature and pressure of the 'Feed' stream are based on the feed to the unit. The unit will then determine the equilibrium conditions of the resulting stream.
The results can be applied to the product stream or just performed as a side calculation.
Notes
- The user MUST have added and initialised an OLI Chemistry Model unit in the SysCAD project before this unit can function.
- The user MUST have a valid OLI Engine license to make use of the OLI functionality in SysCAD. Please see http://www.olisystems.com/ for more information.
Diagram
The diagram shows a drawing of the OLI Reactor unit, with In, Out and Vent streams. When the user inserts the OLI Reactor unit into a flowsheet, a different graphics symbol can be selected from a pull down menu. The streams may be connected to any area of the drawing without affecting the actual connection point as SysCAD ignores the physical position of the connection.
Inputs and Outputs
| Label | Input / Output | No. of Connections | Description | |
|---|---|---|---|---|
| Min | Max | |||
| In | In | 1 | 10 | Feed Stream |
| Out | Out | 1 | 1 | Product Stream |
| Vent | Out | 0 | 1 | Optional Vent Stream |
Model Theory
The OLI Reactor uses the OLI algorithms and data to determine the status of the aqueous solution.
The InFlow and OutFlow are displayed using OLI species, as defined in the dbs file specified in the corresponding OLI Chemistry Model.
The OLI calculations performed are similar to using OLI Studio. Please see http://www.olisystems.com/ for more information.
Data Sections
The tabs and variable names are described in detail in the following tables.
- OLIReactor tab - This first tab contains general information relating to the unit and allows the user to set the model (Reactor or Side Calculation).
- Results tab - This tab summarises the results.
- QFeed - Optional tab, only visible if ShowQFeed is enabled. This page shows the properties of the mixed feed streams.
- This is before OLI is called.
- InFlow tab - This tab displays the composition of the feed stream (QFeed) in terms of OLI compounds.
- OutFlow tab - This tab displays the composition of the final solution as determined by OLI.
- Ionic tab - Option tab, only visible if ShowIonic is enabled. This tab displays the amounts of the OLI Liquid Ionic Output Species (True Species) that OLI predicts would be present in the final solution.
- Parms tab - This tab lists the results for OLI parameters. This tab is not visible if CalculateProperties is set to Minimal.
- Scale tab - Optional tab, only visible if ShowSolScaling is enabled. This tab lists the scaling tendencies of the OLI solids.
- QProd - Optional tab, only visible if ShowQProd is enabled. This page shows the properties of the Product stream from the unit.
- 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.
OLI Reactor tab page
Unit Type: OLIReactor - The first tab page in the access window will have this name.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
Requirements | ||
| On | Tick Box | This allows the user to disable the OLI calculations, and the unit becomes a simple conduit with no calculations. |
| Model | Side Calc | The results from OLI will be displayed but will not be applied to the output stream (input composition = output composition). |
| Reactor | The results from OLI will be applied to the output stream, potentially affecting the composition and temperature/enthalpy of the stream. | |
| CalculateProperties | Minimal | The only results calculated are those shown on the Results tab page. |
| Basic | Basic OLI results such as mass, moles, density and enthalpy are calculated and shown on the Parms tab page. | |
| Transport | In addition to the Basic OLI results, transport properties such as thermal conductivity, viscosity and surface tension are calculated and shown on the Parms tab page. | |
| All | All OLI results are calculated and shown on the Parms tab page. | |
| Requirements (Temperature and Energy Balance) | ||
| OpMode | FeedT | Get OLI to perform an Isothermal calculation at the stream feed temperature. |
| FixedT | Get OLI to perform an Isothermal calculation at the user-specified temperature. | |
| FixedHeat | Iteratively call OLI to perform an Isothermal calculation at different temperatures until it returns an enthalpy equal to the initial stream enthalpy. (NOTE: This is to maintain the Enthalpy (totHf@T) of the SysCAD feed stream so that when OLI results are converted back to SysCAD values, the SysCAD output Enthalpy is the same as the feed stream (within the specified tolerance). This method is "necessary" due to different calculation method used by OLI / SysCAD, as a result, the enthalpy calculated using the same conditions do not match perfectly between the two packages.) | |
| FixedEnthalpy | Get OLI to perform an Isenthalpic calculation to determine the temperature of the final solution with the stream enthalpy being equal to the initial stream enthalpy. (NOTE: Enthalpy is maintained in OLI calculation, however, when the output is re-calculated by SysCAD, there will be a small difference in enthalpy values. This is due to different calculation method used by OLI / SysCAD in determining enthalpy.) | |
| TemperatureReqd / T_Reqd | Input | Only visible if OpMode is set to FixedT. The required temperature of the product stream from OLI. |
| FixedHeat.MaxIterations | Input | Only visible if OpMode is set to FixedHeat. The maximum number of iterations (calls to OLI) to make in a single SysCAD iteration/step. |
| FixedHeat.Damping | Input | Only visible if OpMode is set to FixedHeat. The amount of damping used when iterating to converge on temperature. |
| FixedHeat.AbsTol | Input | Only visible if OpMode is set to FixedHeat. The absolute tolerance for convergence of temperature. |
| FixedHeat.Iterations | Display | Only visible if OpMode is set to FixedHeat. The number of iterations (calls to OLI) made by this model during the last SysCAD iteration/step. |
| Calc.MinTemperature / Calc.MinT | Input | The minimum temperature for the final solution determined by OLI. |
| Calc.MaxTemperature / Calc.MaxT | Input | The maximum temperature for the final solution determined by OLI. |
| OperatingP... | ||
| Method | AutoDetect | If there are any liquids AND no vapours present in the feed, outlet streams will take the highest pressure of the feeds. Else (e.g. some vapours present) outlet streams will take the lowest pressure of the feeds. |
| LowestFeed | The unit will operate at the lowest pressure of the feeds. | |
| HighestFeed | The unit will operate at the highest pressure of the feeds. | |
| Atmospheric | The unit will operate at Atmospheric Pressure. The atmospheric pressure is calculated by SysCAD based on the user defined elevation (default elevation is at sea level = 101.325 kPa). The elevation can be changed on the Environment tab page of the Plant Model. | |
| RequiredP | The unit will operate at the user specified pressure. | |
| IgnoreLowMassFlow / IgnoreLowQm | Tick Box | This option is only visible if the AutoDetect, LowestFeed or HighestFeed methods are chosen. When calculating the unit pressure, SysCAD will ignore the low flow feed streams should this option be selected. The low flow limit is set in the field below. |
| LowMassFlowFrac / LowQmFrac | Input | This field is only visible if the IgnoreLowMassFlow option is selected. This is the amount any stream contributes to the total flow. For example, if the total feed to the unit is 10 kg/s, and this field is set to 1%. Then any feed streams with less than 0.1 kg/s will be ignored in the pressure calculations. |
| PressureReqd / P_Reqd | Input | This field is only visible if the RequiredP method is chosen. This is the user specified pressure. |
| Result | Display | The actual pressure used for the sum of the feeds which will also be the unit pressure. |
| Environmental Heat Transfer | ||
| HeatLossMethod | None | No heat lost to the environment. |
| Fixed HeatFlow | ||
| Ambient | ||
| EHX.HeatLossReqd | Input | This field is only visible if the Fixed HeatFlow method is chosen. This is the user specified heat loss required. |
| EHX.HTC | Input | This field is only visible if the Ambient method is chosen. This is the user specified heat transfer coefficient. |
| EHX.Area | Input | This field is only visible if the Ambient method is chosen. This is the user specified heat transfer area. |
| EHX.AmbientT | Display | This field is only visible if the Ambient method is chosen. The ambient temperature used in the heat loss calculations. The temperature can be changed on the Environment tab page of the Plant Model. |
Display Options | ||
| TrackBypassOther | Tick Box | Gives warnings if there are unmapped species in the feed (not mapped to OLI compound and Bypass not enabled in OLI Chemistry Model) . These are bypassed (sent straight to product stream, not sent to OLI). |
| ShowIonic | Tick Box | Ionic tab page will become visible, showing the OLI predicted liquid ionic species. |
| ShowSolScaling | Tick Box | Scale tab page will become visible, showing the scaling tendencies of the OLI solid species. |
| ShowAllParms | Tick Box | If CalculateProperties is set to Basic or Transport, then show all OLI parameters on the Parms tab page. Parameters that are not being calculated will appear in a slightly different colour. |
| ShowQFeed | Tick Box | QFeed and associated tab pages (e.g. Sp) will become visible, showing the properties of the combined feed stream. See Material Flow Section. |
| ShowQProd | Tick Box | QProd and associated tab pages (e.g. Sp) will become visible, showing the properties of the product stream. See Material Flow Section. |
OLI Chemistry Model | ||
| ChemModel... | ||
| UnitTag | Input | The tag of the OLI Chemistry Model. If a valid OLI Chemistry Model unit is available, then SysCAD will display the tag of that unit here. The user may also enter the tag in this field. |
| Check |  |
If the user clicks on this button, SysCAD will check that the tag is a valid OLI Chemistry Model unit. |
| ConnOK | Tickbox | If SysCAD finds a valid OLI Chemistry Model unit, then this field will be enabled. |
| Status | OK | The specified Chemistry Model 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 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 needs to be initialised. | |
| ChemModel Load Required | The database of the specified Chemistry Model needs to be loaded. | |
| OLI DLL or Version Error | There is a problem with the OLI DLL or version. | |
| Init Failed | Initialisation of the specified Chemistry Model has been attempted but failed. | |
Results tab page
This tab summarises the results.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| OR... | ||
| OLI Calculation Results | ||
| LastCalcType | Display | Displays the type of OLI calculation performed in the most recent run. Options are: Isothermal, Isenthalpic or unknown. |
| LastCalcTime | Display | Displays the time taken to perform the OLI calculation in the most recent run. |
| ErrorCount | Display | Displays the count of errors encountered while performing the OLI calculation in the most recent run. |
| OLI Calculation OutFlow Results | ||
| Temperature / T | Display | Displays the resulting temperature from the OLI calculation. |
| Pressure / P | Display | Displays the resulting pressure from the OLI calculation. |
| Enthalpy / totHf@T | Display | Displays the resulting enthalpy from the OLI calculation. |
| MoleFlow / QMl | Display | Displays the total moleflow used by the OLI calculation. |
| MassFlow / Qm | Display | Displays the total massflow used by the OLI calculation. |
| pH | Display | Displays the resulting pH from the OLI calculation. |
| Results | ||
| Calc.Temperature / Calc.T | Display | The final temperature of the predicted product stream. |
| Calc.Pressure / Calc.P | Display | The final pressure of the predicted product stream. |
| Calc.TotalTime | Display | The time taken to perform the OLI calculation. |
| Calc.Count | Display | The number of times the OLI engine was called. |
| Feed Massflow | ||
| Bypass.MassFlow / Bypass.Qm | Display | (A) This displays the amount of material bypassing the OLI stream analysis that are user specified. This is selected in the OCM model, by selecting the Byp tickbox on the InFlow Tab. |
| BypassOther.MassFlow / BypassOther.Qm | Display | (B) This displays the amount of material bypassing the OLI stream analysis that are not mapped to an OCM species model. |
| OLI.Feed.MassFlow / OLI.Feed.Qm | Display | (C) This displays the amount of material being evaluated by the OLI stream analysis. |
| Feed.MassFlow / Feed.Qm | Display | (A+B+C) This displays the total feed mass flow. |
| Energy Balance | ||
| EHX.HeatFlow | Display | (A) This displays the heat flow resulting from the HeatLossMethod |
| Bypass.HeatFlow | Display | (B) This displays the heat flow resulting from material being bypassed. |
| OLI.Feed.Enthalpy / OLI.Feed.totHf@T | Display | This displays the Feed stream Enthalpy to OLI stream analysis. |
| OLI.Prod.Enthalpy / OLI.Prod.totHf@T | Display | This displays the stream Enthalpy at the completion of the OLI stream analysis. |
| OLI.HeatFlow | Display | The difference between the enthalpies of the Feed and Product streams calculated by OLI. |
| HeatFlow | Display | (A+B+C) The sum of the heat loss, bypass and OLI heat flows. |
| Feed.Temperature / Feed.T | Display | Displays the feed temperature |
| Prod.Temperature / Prod.T | Display | Displays the product temperature |
| Flow Summary | ||
The following table has columns for:
The rows are described below: | ||
| SolidMassFlow / SQm | Display | Solid mass flow |
| LiquidMassFlow / LQm | Display | Liquid mass flow |
| VapourMassFlow / VQm | Display | Vapour mass flow |
| MassFlow / Qm | Display | Total Mass Flow |
| OLI Outflow vs OLIProd (SysCAD Stream) Summary | ||
The following table has columns for:
The rows are described below: | ||
| MassFlow / Qm | Display | Resulting Mass Flow. |
| MoleFlow / QMl | Display | Resulting Mole Flow. |
| Temperature / T | Display | The temperature of the stream. Either temperature or enthalpy is conserved depending on the calculation method selected. |
| Enthalpy / totHf@T | Display | The enthalpy of the stream. Either temperature or enthalpy is conserved depending on the calculation method selected. The enthalpy calculated by OLI and by SysCAD are displayed and compared here. The difference is caused by equation/constants used to calculate enthalpy by the two packages are slightly different. |
InFlow tab page
This tab displays the composition of the feed stream (QFeed) in terms of OLI compounds.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| InFlow... | ||
| OLI_Zeros |   |
If the Hide Zeros button is clicked, all compounds that have NO mass will be hidden. If the Show Zeros button is clicked, all compounds will be displayed, including those with no mass. |
| The next table displays the OLI compounds in the selected database and their amounts in the feed, based on the mappings defined in the OLI Chemistry Model. The table has the following columns: | ||
| MassFlow / Qm | Display | The mass flow of the compound in the feed. |
| MoleFlow / QMl | Display | The mole flow of the compound in the feed. |
OutFlow tab page
This tab displays the composition of the final solution as determined by OLI.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| OutFlow... | ||
| OLI_Zeros | |
If the Hide Zeros button is clicked, all species that have NO mass will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with no mass. |
| Liq... | ||
| OLI Liquid OutFlow | ||
| The next table displays the OLI species in the selected database and their amounts in the final solution, as determined by OLI. The SysCAD species that is mapped to the OLI species, defined in the OLI Chemistry Model, is shown on the far right of the table. The table has the following columns: | ||
| MassFlow / Qm | Display | The mass flow of the species in the final solution. |
| MoleFlow / QMl | Display | The mole flow of the species in the final solution. |
| MassFrac / MF | Display | The mass fraction of the species in the final solution. |
| OLI OutFlow Totals | ||
The following table has rows for:
The columns are described below: | ||
| MassFlow / Qm | Display | The mass flow in the final solution. |
| MoleFlow / QMl | Display | The mole flow in the final solution. |
| MassFrac / MF | Display | The mass fraction in the final solution. |
Ionic tab page
This tab displays the amounts of the OLI Liquid Ionic Species (True Species) that OLI predicts would be present in the final solution.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| Ionic.. | ||
| OLI_Zeros | |
If the Hide Zeros button is clicked, all species that have NO mass will be hidden. If the Show Zeros button is clicked, all species will be displayed, including those with no mass. |
| OLI Ionic Liquid OutFlow | ||
| The next table displays the OLI liquid ionic species in the selected database and their predicted amounts in the final solution. The table has the following columns: | ||
| OLI Species | The name of the liquid ionic species in the OLI database. | |
| MassFlow / Qm | Display | The mass flow of the liquid ionic species in the final solution. |
| MoleFlow / QMl | Display | The mole flow of the liquid ionic species in the final solution. |
| MassFrac / MF | Display | The mass fraction of the liquid ionic species in the final solution. |
Parms tab page
This tab lists the results for OLI parameters. The relevant conversion unit is displayed in brackets beside the parameter name. Depending on other selections, this page may not be visible or all parameters may not be visible.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| OLI Result Parameters | ||
| T | Display | Temperature |
| P | Display | Pressure |
| Ml | Display | Moles - Total |
| SMl | Display | Moles - Solid |
| LMl | Display | Moles - Liquid |
| VMl | Display | Moles - Vapour |
| MOLES_IonicLiquid1 | Display | Moles - Liquid1 |
| MOLES_IonicLiquid2 | Display | Moles - Liquid2 |
| Mt | Display | Mass - Total |
| SMt | Display | Mass - Solid |
| LMt | Display | Mass - Liquid |
| VMt | Display | Mass - Vapour |
| SRho | Display | Density - Solid |
| LRho | Display | Density - Liquid |
| VRho | Display | Density - Vapour |
| ECOND_Liquid1 | Display | Electrical Conductivity (specific) - Liquid1 |
| totHf@T | Display | Enthalpy - Total |
| SHf@T | Display | Enthalpy - Solid |
| LHf@T | Display | Enthalpy - Liquid |
| VHf@T | Display | Enthalpy - Vapour |
| pH | Display | pH - Liquid |
| LThermalCond | Display | Thermal Conductivity - Liquid |
| VThermalCond | Display | Thermal Conductivity - Vapour |
| MlVf | Display | Molar Vapour Fraction |
| LViscosity | Display | Absolute Liquid Viscosity |
| VISABS_Vapor | Display | Absolute Viscosity - Vapor |
| VOLUME_Total | Display | Volume - Total |
| VOLUME_Solid | Display | Volume - Solid |
| VOLUME_Liquid1 | Display | Volume - Liquid1 |
| VOLUME_Vapor | Display | Volume - Vapor |
| Cp | Display | Heat Capacity - Total |
| SmsCp@T | Display | Heat Capacity - Solid |
| LmsCp@T | Display | Heat Capacity - Liquid |
| VmsCp@T | Display | Heat Capacity - Vapour |
| IONIC_Liquid1 | Display | Ionic Strength (x-based) - Liquid1 |
| IONICM_Liquid1 | Display | Ionic Strength (m-based) - Liquid1 |
| OsmoticP | Display | Osmotic Pressure |
| LSurfaceTens | Display | Liquid Surface Tension |
| ShowAllParms | Tick Box | If CalculateProperties is set to Basic or Transport, then show all OLI parameters on the Parms tab page. Parameters that are not being calculated will appear in a slightly different colour. |
Scale tab page
Only visible if ShowSolScaling is enabled. This tab lists the scaling tendencies of the OLI solids.
| Tag (Long/Short) | Input / Calc | Description/Calculated Variables / Options |
| SolScale... | ||
| OLI Scaling Tendencies | ||
| The next table displays the relevant solid OLI species from the selected database and their scaling tendency. The table has the following columns: | ||
| OLI Species | The name of the solid species in the OLI database. | |
| Scaling Tendency | Display | The scaling tendency of the solid to be formed. >1 means solid formed. <1 means close to being formed. <<1 means not likely to be formed. |
Adding this Model to a Project
Insert into Configuration file
Sort either by DLL or Group.
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DLL: |
ScdOLI.dll |
→ |
Units/Links |
→ |
Process 2: OLI Reactor |
|
or |
Group: |
General |
→ |
Units/Links |
→ |
Process 2: OLI Reactor |
See Project Configuration for more information on adding models to the configuration file.
Insert into Project
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|
Insert Unit |
→ |
Process 2 |
→ |
OLI Reactor |
See Insert Unit for general information on inserting units.
Hints and Comments
Refer to OLI Example Projects for example projects which demonstrate the use of this model.