OLI Reactor

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Navigation: Main Page -> Models -> OLI Reactor

Related Links: OLI Chemistry Model

This model is only available in SysCAD 9.3 and later versions.


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

  1. The user MUST have added and initialised an OLI Chemistry Model unit in the SysCAD project before this unit can function.
  2. The user MUST have a valid OLI license to make use of the OLI functionality in SysCAD. Please see olisystems.com for more information.

Diagram

OLI Reactor Diagram.png

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.

  1. OLIReactor tab - This first tab contains general information relating to the unit and allows the user to set the model (Reactor or Side Calculation).
  2. Results tab - This tab summarises the results.
  3. 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.
  4. InFlow tab - This tab displays the composition of the feed stream (QFeed) in terms of OLI compounds.
  5. OutFlow tab - This tab displays the composition of the final solution as determined by OLI.
  6. Parms tab - This tab lists the results for OLI parameters. This tab is not visible if CalculateProperties is set to Minimal.
  7. Scale tab - Optional tab, only visible if ShowSolScaling is enabled. This tab lists the scaling tendencies of the OLI solids.
  8. QProd - Optional tab, only visible if ShowQProd is enabled. This page shows the properties of the Product stream from the unit.
  9. Info tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.
  10. Links tab - contains a summary table for all the input and output streams.
  11. Audit tab - contains summary information required for Mass and Energy balance. See Model Examples for enthalpy calculation Examples.

OLI Reactor tab page

Class: OLIReactor The first tab page in the access window will have this name.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options

Common First Data Section

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.
FixedEnthalpy Get OLI to perform and Isenthalpic calculation to determine the temperature of the final solution with the stream enthalpy being equal to the initial stream 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 (eg. 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).
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 (eg Sp) will become visible, showing the properties of the combined feed stream. See Material Flow Section.
ShowQProd Tick Box QProd and associated tab pages (eg 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 Check Tag.png 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 Display If SysCAD finds a valid OLI Chemistry Model unit, then this field will show 'OK'. If not, the user must either insert an OLI Chemistry Model unit, or enter the correct tag of the unit.

Results tab page

This tab summarises the results.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
OR...
OLI Calculation Results
LastCalcType Display
LastCalcTime Display
ErrorCount Display
OLI Calculation OutFlow Results
Temperature / T Display
Pressure / P Display
Enthalpy / totHf@T Display
MoleFlow / QMl Display
MassFlow / Qm Display
pH Display
Results
Calc.Temperature / Calc.T Display
Calc.Pressure / Calc.P Display
Calc.TotalTime Display
Calc.Count Display
Feed Massflow
Bypass.MassFlow / Bypass.Qm Display (A)
BypassOther.MassFlow / BypassOther.Qm Display (B)
OLI.Feed.MassFlow / OLI.Feed.Qm Display (C)
Feed.MassFlow / Feed.Qm Display (A+B+C)
Energy Balance
EHX.HeatFlow Display (A)
Bypass.HeatFlow Display (B)
OLI.Feed.Enthalpy / OLI.Feed.totHf@T Display
OLI.Prod.Enthalpy / OLI.Prod.totHf@T Display
OLI.HeatFlow Display
HeatFlow Display (A+B+C)
Feed.Temperature / Feed.T Display
Prod.Temperature / Prod.T Display
Flow Summary
The following table has columns for:
  • Feed
  • OLIFeed
  • OLIProd
  • Prod

The rows are described below:

SolidMassFlow / SQm Display
LiquidMassFlow / LQm Display
VapourMassFlow / VQm Display
MassFlow / Qm Display
OLI Outflow vs OLIProd (SysCAD Stream) Summary
The following table has columns for:
  • OutFlow
  • OLIProd
  • Error
  • RelError

The rows are described below:

MassFlow / Qm Display
MoleFlow / QMl Display
Temperature / T Display
Enthalpy / totHf@T Display

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 Hide Zeros.png
Show Zeros.png
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 Hide Zeros.png
Show Zeros.png
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:
  • Sol - solids
  • Liq - liquids
  • Vap - vapours/gases
  • Total

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.

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

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.

 

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

 

Insert Unit

Process 2

OLI Reactor

See Insert Unit for general information on inserting units.

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