View source for OLI Overview

[[Category:Models]] [[Category:OLI]]
{{Navigation|[[Models]]|[[Models#Thermodynamic Calculation Engines|TCE Models]]}}
{{OLI Header Tabs|currentpage=1}}

'''Related Links:''' [[Thermodynamic Calculation Engines]], [[TCE Functionality Overview]], [[TCE Species Mapping]], [[TCE Configuration Options]], [[Example - 06 OLI Projects|OLI Example Projects]]
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{{Available139|31866}} Next generation of OLI models in SysCAD as part of TCE. Older models have been archived as Legacy models.
== Overview ==

OLI Systems is the supplier of a leading Electrolyte Simulation Software used to predicate equilibrium conditions and properties (such as pH) for aqueous chemistry.
*It is developed and maintained by OLI Systems. ([https://www.olisystems.com/ olisystems.com])
*To use OLI in SysCAD it is assumed that the user has some familiarity with the theory and use of the OLI Systems software programs.
*The SysCAD OLI library option (in ScdOLI2.DLL) requires the SysCAD "Energy Balance", "Integration Libraries" (formerly "SMDK Runtime") and "TCE" add-ons.
*'''OLI Alliance Engine for Commercial Process Simulators (OLI Engine)''' is licensed separately by OLI Systems and is required to be installed to use SysCAD TCE OLI Option.  SysCAD requires the 32 bit version of the OLI Engine.
*"OLI Engine" includes '''OLI Chemistry Wizard''' which can be used to create the OLI database (DBS) files required by SysCAD.
*The user may also purchase '''OLI Studio: Stream Analyzer''' from OLI Systems Inc. OLI Studio can also be used to create OLI database files required by SysCAD.  This package is not required for running TCE OLI in SysCAD, but is a useful package in its own right.

Additional Notes:
*The "OLI Engine: Developer Edition" License is NOT required to use OLI in SysCAD.
*"OLI Studio" or "OLI Studio: Stream Analyzer" does not include an "OLI Engine Runtime" license, this needs to be purchased separately from OLI Systems.
*"OLI Engine Runtime" is sometimes referred to as "OLI Runtime for SysCAD" or "OLI Alliance Engine" - this is the same thing.
*KWA Kenwalt Australia (SysCAD) are OLI Alliance Partners. ([https://www.olisystems.com/partners/ Alliance Partners])
*For legacy OLI models (using ScdOLI.DLL), {{Available139|||y}} or earlier is required. These models cannot be used in the same project as the new TCE OLI Option.
**The legacy version has been discontinued in {{Removed140|||y}}.
*OLI in SysCAD is not implemented as a Species Properties Model but as unit models for use at appropriate locations in a plant model.

== OLI Systems Software ==
[[File:OLI_Logo.png|thumb|OLI Systems ([https://www.olisystems.com/ www.olisystems.com])|right|link=https://www.olisystems.com/]]

The following are direct quotes from the OLI website:
:''Analyze chemical streams, predict mineral scaling and corrosion in industrial chemical processes.''
:''The behavior of electrolyte and water chemistry governs industrial chemical processes performance. OLI Systems makes it possible to deeply understand these behaviors to drive effective and efficient equipment design and process operations.''

Please visit the [https://www.olisystems.com/ OLI Systems website] for more information.
*[https://www.olisystems.com/software/oli-studio/ OLI Studio] 
*[https://www.olisystems.com/software/oli-engine/ OLI Engine] 

'''NOTE:''' Users do not need to have OLI Studio installed to run SysCAD projects that contain TCE OLI models. However, a licensed copy of the OLI Engine Runtime is required to run these projects.

== OLI Engine Licensing and Integration with SysCAD ==

The OLI Engine Runtime (32-bit) is licensed separately by OLI Systems and is required for using the SysCAD TCE OLI Option. This runtime may also be referred to as "OLI Runtime for SysCAD" or "OLI Alliance Engine".

=== OLI Engine License Requirements ===
To install and use the OLI Engine Runtime (32-bit), a valid OLI license is required. This license is tied to the specific installation of the OLI Engine.

If your license options change and you receive a new OLI License ID, you must:
#Uninstall the current OLI Engine (associated with the old OLI License ID).
#Reinstall the OLI Engine using the new OLI License ID.

Failure to do so will result in an OLI license mismatch error when running SysCAD, such as: '''OLI: OLIRegServer.dll not loaded.'''

=== OLI Engine Version support ===

Multiple versions support of installed OLI engine is {{Available139|33127|y}}.  This applies to both OLI_Legacy and OLI_TCE SysCAD integration. Therefore, it is possible to
#use “SysCAD OLI Legacy” (scdoli.dll) with OLI engine version 10.x or 11.x, OR
#use “SysCAD TCE OLI” (scdoli2.dll) with OLI engine version 10.x, 11.x or 12.x. (Recommended)

'''NOTES:'''
*User must select the required OLI SysCAD integration (scdoli.dll OR scdoli2.dll) to use in the project, it is NOT possible to include both in the same project.  
*The OLI legacy integration models will be discontinued in next major version update. User should convert any projects using OLI Legacy integration models to use the new OLI TCE suite of models. Please see [[#Converting OLI Legacy Project to use OLI TCE models|Converting OLI Legacy Project to use OLI TCE models]] for hints about project conversion.

== Checking that OLI SysCAD integration is working == 

We recommend performing the following checks prior to creating user OLI projects to ensure OLI SysCAD intergration is working correctly.
# [[Licensing#Checking_Current_License_Information|Check the '''License Information''']], the following add-ons must be allowed (Yes)
#* Energy Balance 
#* Integration Libraries (formerly SMDK Runtime)
#* Models: TCE (PHREEQC, OLI, AQSol and ChemApp)
# Check that "'''OLI Engine Runtime''' 32 bit" (also known as "OLI Runtime for SysCAD" or "OLI Alliance Engine") is installed and licensed from OLI systems.
#* SysCAD requires a valid OLI Engine to work.  See [[#OLI Engine Version support|OLI Engine Version]]
# Check that the distributed SysCAD OLI example project will run without issues.
#*Open any of the \SysCAD139\Examples\06 OLI\OLIFull [[Example - 06 OLI Projects|example projects]], after project load, check the message window for any reported errors.
#*If errors were encountered, use the messages provided to fix the errors and try again.

== Models ==

'''OLI TCE Option unit models:'''
* [[OLI Model Configuration]] - Used to define and view various options for the selected OLI database, including management of mapping of SysCAD species list to species list used in OLI.
* [[OLI Direct Calc]] - Standalone unit model to perform side calculations using OLI for predicting aqueous chemistry equilibrium conditions and properties on a user defined OLI stream.
* [[OLI Side Calc]] - Standalone unit model to perform side calculations using OLI for predicting aqueous chemistry equilibrium conditions and properties on a SysCAD stream in the current project.
* [[OLI Reactor 2]] - Include this model in a SysCAD stream to use OLI to calculate predicted outlet conditions. Functionality is similar to SysCAD [[Reaction Block (RB)|Reaction Block]] and [[Free Energy Minimisation (FEM)|FEM]] where for a given feed reactions occur with optional heat exchange. The model can be configured in a number of ways for different purposes.
* [[OLI Evaporator]] - Include this model in a SysCAD flowsheet to model an evaporator using embedded OLI calculations.
* [[OLI Flash Tank]] - Include this model in a SysCAD flowsheet to model a flash tank using embedded OLI calculations.
* [[OLI Reverse Osmosis]] - Include this model in a SysCAD flowsheet to model reverse osmosis using embedded OLI calculations.  OLI can be used to calculate maximum permeate recovery (to incipient solids formation) and other operating modes.
* [[OLI Feeder]] - Include this model in a SysCAD flowsheet to specify a feed using OLI species.
* [[OLI Solvent Extraction]] - {{Available139|34985}} Include this model in a SysCAD flowsheet to model solvent extraction using embedded OLI calculations.
* [[OLI Pond]] - Include this model in a SysCAD flowsheet (Dynamic mode) to specify a dynamic pond using embedded OLI calculations.

'''OLI Legacy unit models:'''
The following models are used for backward compatibility purposes only. These will be discontinued from Build 140 and users should convert any existing projects to use the TCE OLI models.  See [[#Converting OLI Legacy Project to use OLI TCE models|Converting OLI Legacy Project to use OLI TCE models]] for suggested work flow.
*[[OLI Chemistry Model]] - please change to the new model [[OLI Model Configuration]] 
*[[OLI Sample Model]] - please change to the new model [[OLI Direct Calc Model]] 
*[[OLI Reactor]] - please change to the new model [[OLI Reactor 2]]

'''Species Mapping:'''
*Ionlist is used to breakdown the species to ions. Please see [[TCE Species Mapping|Species Mapping]] for more information on this topic.
*When using OLI Liquid 2 phase for modelling of immiscible liquids then the SysCAD individual phase name must be specified for the mapping of these liquid phase species.

'''Notes:'''
*OLI evaporation models using OLI that do not incorporate VLE calculations are suitable for water evaporation only.

== Min Water Frac and BPE ==

{{Other Configuration and Properties | TCE=OLI}}

== OLI Liquid-2 ==

{{Edit cfg - OLI Liquid-2 phase}}

== OLI SysCAD Project Workflow ==

The list below are some recommended steps in creating a new OLI SysCAD project group.  

If user only intend to use OLI for standalone equilibrium calculations, thus not linking it to existing SysCAD stream or species database, then follow the (A).  If user wishes to use OLI to evaluate SysCAD streams, then follow (B).

'''Important Notes''': 

#OLI software requires an OLI configuration file (*.dbs).
#see [[#Referenced_File|OLI Referenced File]] for instructions.

'''<big>(A)</big>''' Using OLI as stand-alone thermodynamic calculation engine to perform OLI equilibrium calculations:
#Create a Configuration File, 
#*select the OLI models in step 1 of 2 of edit configuration file, 
#*In Step 2 of 2 of edit configuration file, select the the OLI dll from the [[TCE Configuration|TCE tab]] . 
#Create or open a SysCAD project using the cfg file you have just edited.
#Insert a [[OLI Model Configuration]]
#*load in the OLI Model Definition file 
#Inset a [[OLI Direct Calc Model]].  Use the direct calc to perform OLI equilibrium calculations.

'''<big>(B)</big>''' Using OLI to evaluate SysCAD streams or as part of the SysCAD flowsheet:
#Create a SysCAD.93.db3 file, the SysCAD database must contain the same number of individual phases as the OLI model file. 
#*An '''[[OLI Database Utility]]''' is available to assist user with the creation of SysCAD.93.db3 file.  
#*The database is created using existing SysCAD data, OLI Model data is not transferred to the SysCAD database.  
#*Once a SysCAD.93.db3 file has been create, copy this database and the IonList.txt into the OLI SysCAD project \CfgFiles subfolder
#Check and [[Editing User Species Database|edit]] the SysCAD.93.db3 file inside the CfgFiles subfolder and correct any missing data.
#Create a Configuration File, 
#*select the OLI models in step 1 of 2 of edit configuration file, 
#*In Step 2 of 2 of edit configuration file, select the required Species from the [[Species Configuration|Species Tab]].
#*select the OLI dll from the [[TCE Configuration|TCE tab]] . 
#Create a SysCAD project.       
#Add [[OLI Model Configuration]], 
#*load in the OLI Model .dll file 
#*complete the OLI Species to SysCAD Species Mapping.  
#*Edit SysCAD.93.db3 and configuration file if species are missing.
#Once species mapping is satisfactory, add OLI unit models to the project where appropriate.

== Referenced File ==

The file that will be referenced by the SysCAD OLI Chemistry Model is the OLI Chemistry Model Database file created in OLI, e.g. NickelSpecies.dbs.  

The "OLI Chemistry Model" (dbs file), can be generated using "'''OLI Chemistry Wizard'''" or "'''OLI Studio'''".

To generate an "OLI Chemistry Model" in OLI Studio perform the following steps:
* Create a stream in a new project or for an existing OLI project (*.oad) file.
* Select MSE or AQ databank.
* On the Definition tab, add the components of interest.
* Run an isothermal single point calculation.
* If File Viewer tab is not visible, select menu Tools|Options. Then for Plug-Ins select the "OLI File Viewer" option and press OK.
* On the File Viewer tab, for "File Type" select "Generated Model File". Push "Save File" button which will prompt to save a file with .dbs extension. This is the file required by SysCAD.

'''Notes:'''
# This file is essential for the OLI Chemistry Model in SysCAD to function. 
# The file can be saved at any location - it does not have to be saved in the SysCAD project.

== Converting OLI Legacy Project to use OLI TCE models ==

The new OLI TCE Integration suite of models were completely re-design from the ground up. There is no “automated” upgrade path for converting projects using OLI_Legacy models to OLI_TCE models. 

A recommended conversion workflow is:
# Create folder '''"OLI_Legacy"''' + '''Cfgfiles''' subfolder: 
#*Store your OLI_Legacy project here
#*make sure the Cfgfiles is set up to open the legacy project (using scdoli.dll)
#*The purpose of this folder is so you can still open the legacy project for reference and comparison.  
# Create folder "'''OLI_Preparation'''" + '''Cfgfiles''' subfolder  
#*make a copy of the legacy project here, this is the project you need to work on in preparation for OLI_TCE model changes.
#*The cfgfiles subfolder can be the same as OLI_Legacy.
#*Open the project and remove all the OLI_Legacy models, do these in the following order:
#**use "Change Unit" to change all the [[OLI Reactor]] to "Tank"
#**Delete any [[OLI Sample Model]]
#**Delete the [[OLI Chemistry Model]]
#*Save the Project.  The project should be free of any OLI_legacy models.
#*''Edit the configuration file to remove the '''scdoli.dll''' group of models.''
#*Reopen the model to check if the project can be loaded.  If successful, then the project is ready for OLI_TCE model changes.
# Create folder "'''OLI_TCE'''" + '''Cfgfiles''' subfolder: 
#*make a copy of the "OLI_Preparation" project here.
#*''Edit the configuration file to use the '''scdoli2.dll''' group of models.''
#*Edit the TCE tab to select the correct OLI options (engine version, dll path, database selection, etc.)
#*Open the project using the edited configuration file.
#*Edit the project in the following order:
#**Add and setup [[OLI Model Configuration]] to replace the [[OLI Chemistry Model]]
#**Add and setup [[OLI Direct Calc Model]] to replace the [[OLI Sample Model]]
#**For any [[OLI Reactor]] that were changed to "Tank", use "Change Unit" to change them to [[OLI Reactor 2]] or any other more relevant OLI unit [[#Models|models]]. 
#*Fix the controls and reports.
#*Save the project.  
#*Solve and debug the project as usual.
#*If possible, open the OLI_Legacy model for reference or comparison.

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== Best Practices for OLI in SysCAD ==

OLI performs accurate, rigorous calculations of phase equilibrium considering factors such as temperature, pressure, and redox state.  SysCAD will use the generated dbs files to perform calculations using the chemistry file chosen.  For highly complex systems, this can result in significant simulation times.  Because of this, we have developed some best-practise suggestions to efficiently incorporate OLI calculations into SysCAD:
#Get the proper training
#*SysCAD provides specific training for the use of TCE in SysCAD
#*OLI also offers training for use of their software
#*Understanding software features and limitations is important for developing good models using OLI in SysCAD
#Use an appropriate computer
#*OLI in SysCAD requires significant computational power over and above the [[FAQ_-_Installation_related_questions#What_are_the_System_requirements_to_run_SysCAD|minimum recommended system requirements]].  It is recommended to have at least:
#** 8 cores
#** 16 GB RAM
#** 3.0 GHz clock speed
#Use OLI calculations only where required
#*Limiting the number of units which use OLI to where they are needed is an important consideration when balancing model fidelity with computational efficiency
#*Use side calculations where appropriate, as these allow calculation at different intervals (OnStop, OnStart, Every N iterations, etc.)
#Carefully consider your chemistry, and check your assumptions
#*For the purpose of this discussion, we will define an '''Operations DBS file''' and a '''Rigorous DBS file'''.  The '''Operations DBS file''' is intended for calculations directly used in the simulation.  The '''Rigorous DBS file''' is for checking final calculations to ensure that the '''Operations DBS file''' is adequate.
#*'''Operations DBS file''': Use only chemistry relevant to your process.  For instance, if you know your system is fully oxidized, adding redox to the OLI model may not be required.  Carefully consider what elements require inclusion in this model.
#*'''Rigorous DBS file''': Include all possible chemistry, including redox for all elements.  Use an end-of-simulation Side Calculation connected to the '''Rigorous DBS file''' to compare against process simulation calculations that used the '''Operations DBS file'''.  If significantly different for specific units, this indicates that your '''Operations DBS file''' needs to be expanded for these units.
#*Always check model predictions against relevant test work and/or pilot plant data and/or plant data to ensure that the predictions match your expectations
#Ensure each stream to an OLI reactor is realistic
#*OLI in SysCAD calculates feed enthalpy stream-by-stream assuming each feed stream is at equilibrium.  If attempting to evaluate enthalpy for a non-sensible stream, this can greatly increase simulation times because OLI will have a difficult time calculating the enthalpy for such a stream.
#*OLI in SysCAD will calculate the equilibrium of each incoming stream.  Therefore, if streams are fed to OLI which are not realistic, this can result in significant issues, including:
#*Failure to solve the input feed enthalpy, which will result in a heat balance warning
#*Significant increase in computational time as OLI churns to find a solution to a non-sensible aqueous chemistry condition
#*Basically, if using OLI in SysCAD, it is important to realize that the model will respond similar to a real chemical plant, and thus, real solutions are required in each input stream to an OLI unit operation.
#Use as many OLI engines as possible
#*SysCAD in OLI allows multithreading, enabled when a calculation has recycle streams
#*SysCAD breaks up the simulation into parts separated by tear streams, enabling calculation of different parts of the flowsheet simultaneously using many threads
#*Enabling more OLI engines will reduce wait times, thereby increasing simulation speed
#Consider whether heat balance is a requirement of the simulation
#*Calculating heat balance across a reactor requires N+1 equilibrium calculations, where N is the number of input streams
#*Not calculating heat balance can therefore be very useful in reducing simulation times, as the number of OLI calls is reduced
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