OLI Sample Model

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Navigation: Main Page -> Models -> OLI Models -> OLI Sample Model

Related Links: OLI Chemistry Model

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


General Description

The OLI Sample model allows the user to 'call' the OLI analyser to determine the state of an aqueous solution at a given temperature/enthalpy and pressure. The user enters the mass or molar makeup of the 'Feed' stream, and the unit will then determine the equilibrium conditions of the resulting stream at the user defined temperature/enthalpy and pressure.

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 'Sampler' that allows the user to check the status of an aqueous solution.

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 http://www.olisystems.com/ for more information.

Diagram

OLI Sample Model.png

The diagram shows the default drawing of an OLI Sample Model.

Inputs and Outputs

There are no connections to this unit.

Model Theory

The OLI Sample Model 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 species used in the SysCAD project are not used in this model.

The 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. OLISample tab - This first tab contains general information relating to the unit and allows the user to set the final conditions and perform calculations.
  2. InFlow tab - This tab allows the user to set the final conditions, specify the InFlow composition and perform calculations.
  3. OutFlowS tab - This tab displays the amounts of solids present in the final solution.
  4. OutFlowL tab - This tab displays the amounts of liquids present in the final solution.
  5. OutFlowV tab - This tab displays the amounts of vapours present in the final solution.
  6. Ionic tab - This tab displays the amounts of the OLI Liquid Ionic Output Species (True Species) that OLI predicts would be present in the final solution.
  7. Parms tab - This tab lists the results for OLI parameters.
  8. Scale tab - This tab lists the scaling tendencies of the OLI solids.
  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.

OLI Sample Model tab page

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

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

Common Data on First Tab Page

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 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.

Requirements

UseMappedOnly Tickbox If this is ticked, then the unit will only display the OLI species/compounds that have been mapped to SysCAD species in the OLI Chemistry Model.
MoleInput Tickbox If this is ticked, then the user enters the molar amounts for the OLI compounds on the InFlow tab page. If the box is NOT ticked, then the user enters the mass amount of the OLI compounds on the InFlow tab page.
Calc.Temperature / Calc.T Input The required temperature of the aqueous solution. Only used for the FindEnthalpy and FindEnthalpy2 calculations.
Calc.Pressure / Calc.P Input The required pressure of the aqueous solution.
Calc.Enthalpy / Calc.totHf@T Input The required enthalpy of the aqueous solution. Only used for the FindTemperature and FindTemperature2 calculations. This is expected to be less than 0.
FindEnthalpy Calculate.png Click on this button to perform an Isothermal calculation to determine the conditions of the final solution, including enthalpy, based on the specified temperature and pressure.
FindEnthalpy2 Calc and Set H.png Same as FindEnthalpy except after calculation, set the Calc.Enthalpy field equal to the Enthalpy result.
FindTemperature Calculate.png Click on this to perform an Isenthalpic calculation to determine the conditions of the final solution, including temperature, based on the specified pressure and enthalpy.
FindTemperature2 Calc and Set T.png Same as FindTemperature except after calculation, set the Calc.Temperature field equal to the Temperature result.
Transfer Enthalpy to Input.png
Temperature to Input.png
Only displayed after one of the above calculations has been performed.
* If the FindEnthalpy Calculate button is clicked then the button displayed is Enthalpy to Input. Click on this button to transfer the Enthalpy result to the Calc.Enthalpy field.
* If the FindTemperature Calculate button is clicked then the button displayed is Temperature to Input. Click on this button to transfer the Temperature result to the Calc.Temperature field.
OR...

OLI Calculation Results

LastCalcType Display This displays the type of calculation, Isothermal (FindEthalpy or FindEnthalpy2) or Isenthalpic (FindTemperature or FindTemperature2), used for the last calculation.
LastCalcTime Display The amount of time taken to calculate the last set of conditions.
ErrorCount Display The total number of errors encountered in the last calculation.
ErrorXX Display If there are error messages associated with the last calculation, they will be displayed here.

OLI Calculation Outflow Results

Temperature / T Display The Temperature of the final solution.
Pressure / P Display The Pressure of the final solution.
Enthalpy / totHf@T Display The Enthalpy of the final solution.
TotalMoles / Ml Display The total number of moles in the sample.
TotalMass / Mt Display The total mass of the sample.
pH Display The pH of the final solution.

InFlow tab page

This tab is used to define the InFlow for the OLI calculation, including the composition in terms of OLI compounds. It also includes the buttons to perform calculations.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
Requirements
UseMappedOnly Tickbox If this is ticked, then the unit will only display the OLI species/compounds that have been mapped to SysCAD species in the OLI Chemistry Model.
MoleInput Tickbox If this is ticked, then the user enters the molar amounts for the OLI compounds on this page. If the box is NOT ticked, then the user enters the mass amount of the OLI compounds on this page.
Calc.Temperature / Calc.T Input The required temperature of the aqueous solution. Only used for the FindEnthalpy and FindEnthalpy2 calculations.
Calc.Pressure / Calc.P Input The required pressure of the aqueous solution.
Calc.Enthalpy / Calc.totHf@T Input The required enthalpy of the aqueous solution. Only used for the FindTemperature and FindTemperature2 calculations. This is expected to be less than 0.
FindEnthalpy Calculate.png Click on this button to perform an Isothermal calculation to determine the conditions of the final solution, including enthalpy, based on the specified temperature and pressure.
FindEnthalpy2 Calc and Set H.png Same as FindEnthalpy except after calculation, set the Calc.Enthalpy field equal to the Enthalpy result.
FindTemperature Calculate.png Click on this to perform an Isenthalpic calculation to determine the conditions of the final solution, including temperature, based on the specified pressure and enthalpy.
FindTemperature2 Calc and Set T.png Same as FindTemperature except after calculation, set the Calc.Temperature field equal to the Temperature result.
Transfer Enthalpy to Input.png
Temperature to Input.png
Only displayed after one of the above calculations has been performed.
* If the FindEnthalpy Calculate button is clicked then the button displayed is Enthalpy to Input. Click on this button to transfer the Enthalpy result to the Calc.Enthalpy field.
* If the FindTemperature Calculate button is clicked then the button displayed is Temperature to Input. Click on this button to transfer the Temperature result to the Calc.Temperature field.
InFlow...
The next table allows the user to specify the composition of the InFlow by specifying the moles or mass of the OLI compounds.
The table has the following columns:
OLI Compound This shows a list of all available OLI compounds.
Mass / M Input / Display The user specified mass of each OLI compound. If MoleInput is not ticked, then this will be an input field, otherwise it will be a result field calculated from the user specified molar amount.
Moles / Ml Input / Display The user specified moles of each OLI compound. If MoleInput is ticked, then this will be an input field, otherwise it will be a result field calculated from the user specified mass.

OutFlowS tab page

This tab displays the amounts of solids present in the final solution.

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

OLI Solids OutFlow
Sol...
The next table displays the solid OLI species in the selected database and their amounts in the final solution.
The table has the following columns:
OLI Species The name of the solid species in the OLI database.
Mass / M Display The mass of the solid species in the final solution.
Moles / Ml Display The moles of the solid species in the final solution.
MassFrac / MF Display The mass fraction of the solid species in the final solution.

OutFlowL tab page

This tab displays the amounts of liquids present in the final solution.

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

OLI Liquid OutFlow
Liq...
The next table displays the liquid OLI species in the selected database and their amounts in the final solution.
The table has the following columns:
OLI Species The name of the liquid species in the OLI database.
Mass / M Display The mass of the liquid species in the final solution.
Moles / Ml Display The moles of the liquid species in the final solution.
MassFrac / MF Display The mass fraction of the liquid species in the final solution.

OutFlowV tab page

This tab displays the amounts of vapours present in the final solution.

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

OLI Vapour OutFlow
Vap...
The next table displays the vapour OLI species in the selected database and their amounts in the final solution.
The table has the following columns:
OLI Species The name of the vapour species in the OLI database.
Mass / M Display The mass of the vapour species in the final solution.
Moles / Ml Display The moles of the vapour species in the final solution.
MassFrac / MF Display The mass fraction of the vapour species 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..
OutFlow_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.

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.
Mass / M Display The mass of the liquid ionic species in the final solution.
Moles / Ml Display The moles 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 the database chosen, the list of parameters may differ from those given below.

Tag (Long/Short) Input / Calc Description/Calculated Variables / Options
OLI Result Parameters
T Display Temperature
PT Display Pressure
MOLES_Total Display Moles - Total
MOLES_Solid Display Moles - Solid
MOLES_Liquid1 Display Moles - Liquid1
MOLES_Vapor Display Moles - Vapor
MOLES_IonicLiquid1 Display Moles - Liquid1 (true)
MASS_Total Display Mass - Total
MASS_Solid Display Mass - Solid
MASS_Liquid1 Display Mass - Liquid1
MASS_Vapor Display Mass - Vapor
DENSITY_Solid Display Density - Solid
DENSITY_Liquid1 Display Density - Liquid1
DENSITY_Vapor Display Density - Vapor
ECOND_Liquid1 Display Electrical Conductivity (specific) - Liquid1
ECONDM_Liquid1 Display Electrical Conductivity (molar) - Liquid1
ENTHALPY_Total Display Heat Duty - Total
ENTHALPY_Solid Display Heat Duty - Solid
ENTHALPY_Liquid1 Display Heat Duty - Liquid1
ENTHALPY_Vapor Display Heat Duty - Vapor
PH_Liquid1 Display pH - Liquid1
THERMCOND_Vapor Display Thermal Conductivity - Vapor
VAPFRAC Display Vapor Fraction
VISABS_Liquid1 Display Absolute Viscosity - Liquid1
VISABS_Vapor Display Absolute Viscosity - Vapor
VISREL_Liquid1 Display Relative Viscosity - Liquid1
VOLUME_Total Display Volume - Total
VOLUME_Solid Display Volume - Solid
VOLUME_Liquid1 Display Volume - Liquid1
VOLUME_Vapor Display Volume - Vapor
CP_Total Display Heat Capacity - Total
CP_Solid Display Heat Capacity - Solid
CP_Liquid1 Display Heat Capacity - Liquid1
CP_Vapor Display Heat Capacity - Vapor
IONIC_Liquid1 Display Ionic Strength (x-based) - Liquid1
IONICM_Liquid1 Display Ionic Strength (m-based) - Liquid1
ORP_Liquid1 Display ORP - Liquid1
OSMOTIC Display Osmotic Pressure

Scale tab page

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 Sample

or

Group:

General

Units/Links

Process 2: OLI Sample

See Project Configuration for more information on adding models to the configuration file.


Insert into Project

 

Insert Unit

Process 2

OLI Sample

See Insert Unit for general information on inserting units.

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