OLI Simulation Conference 2016 Conference organization by OLI Engine Improvements Progress in the OLI Engine Prodip Kundu
OLI Simulation Conference2016
Conference organization by
OLI Engine ImprovementsProgress in the OLI Engine
Prodip Kundu
Outline
OLI Engine
Updates in the OLI Engine
Convergence
Speedup of engine
Unit operation block issues
Case studies
New unit operation blocks
Future improvement
What is the OLI Engine?
OLI Engine The basis for all other OLI software
It allows for varied calculations for single stream defined
on either a molecular or ionic basis
It provides the OLI databanks, the thermodynamic
frameworks and the solvers
The OLI Engine solver
Initializer using the inside-out method
Newton-Raphson method
Every OLI product uses the Engine ESP/Flowsheet ESP
All of the OLIStudio, Analyzer, ScaleChem
All the alliance products
Updates in the OLI Engine
Improvement of convergence Improved algorithm for distribution of species in the vapor
and organic phases
Improved species inclusion/exclusion check
Better organic phase inclusion/exclusion test, phase
partition algorithm, phase swap logic, and conditions of
initialization
Improved SRK and switch between secondary SRK if
SRK fails to converge for MSE model without ions
Speedup the Engine for MSE framework Speedup changes in the initialization routine
Initialize systems with higher number of species for
surveys
Switch on/off restart vector for faster convergence (i.e., pH
and alkalinity calculation)
Alkalinity calculation detached from reconcile pH
calculation
Scaling tendency Improved phase partition check
Few issues with prescale turn on/off and phase behavior
Updates in the OLI Engine
Unit operation block issues Adiabatic mixer fail with multiple chemistry model
Correction in heat exchanger heat curve for multiple
chemistry model
Converge issues with fast kinetic STD type case (i.e., NH3
and H2O)
Corrections in mass transfer column packing correlations
Mellapak structured packing for mass transfer column
Transfer energy from block to column and vice versa using
energy transfer block
No. of tear streams allowed were 10, now increased to 15
Updates in the OLI Engine
Unit operation block issues (cont’d.) Bad mass flow in mixer calculation
Error in block calculation order
Issues with specifying flow splitter and component splitter
outlet conditions
Better initial estimate for autoclave calculation
Updates in the OLI Engine
Property calculation issues Incorrect K values in aqueous model (organic + vapor only
phase)
Calculation of dielectric constant
Calculation of thermal conductivity
Calculating viscosity of H2SO4 with OLI Engine for Aspen
Plus
Organic phase standard state GREF was incorrect in
aqueous model
Incorrect density was reported
Updates in the OLI Engine
Miscellaneous calculation issues Invalid pH regression case (i.e., reducing pH with base as
an titrant or vice versa)
Results of set pH calculation in OLI Studio and regression
are different
Unbounded sublimation index values causing Engine crash
OLI regression “Define” was limited to 80 characters
Crash in ScaleChem Standard and missing solid K values
Moles of Cl2 in vapor is doubled in vapor only redox
Bad rendering of Pourbaix and chemical diagram, fail in
stability diagram
Better dew point estimate using Lee-Kessler and SRK EOS
Updates in the OLI Engine
Security in the OLI Engine OLI Engine checks for security in various products and
run through command line
LOC file for full access user only
Alliance products Aspen Plus/Hysys (Aspentech)
PRO/II (Schneider Electric)
Unisim Design (Honeywell)
IDEAS (Andritz)
gProms (Process Systems Enterprise)
Test procedures Number of test sets significantly increased
Automated test procedures
Result checking and validation
Updates in the OLI Engine
Case Study 1: Faster Convergence
Overhead drum
Methylamine-CO2-H2S-H2O Systems:
Hydrocarbons, 2-dimethylaminoethanol,
Assay (252-528K), SO3
Converges faster with new improvement
All the survey data points converged
Earlier calculated in 1600 seconds
Case Study 2: Faster Convergence
Scenario calculation
MEG-Organic Acids-
Alcohols-HCl-HBr-
Hydrocarbons-N2-CO2-
Metal Oxides-
Carbonates-
Pseudocomponents
Converges faster with
new improvement
Calculated in 30000
seconds (V 9.0.14)
Hydrocarbons-H2O systems: Oil analysis data, Studio ScaleChem distillation curve
Case Study 3: Phase Behavior
Hydrocarbons-H2O systems: Oil analysis data, Studio ScaleChem distillation curve
Case Study 3: Phase Behavior
Case Study 4: Phase BehaviorHydrocarbons-H2O Systems: Heavy oil cut reconciled at stock tank conditions, first pseudocomponent at 526K
Case Study 5: Phase BehaviorDiethanolmethylamine-HCl-H2O systems: Phase inconsistency – amines
Case Study 5: Phase BehaviorDiethanolmethylamine-HCl-H2O systems: Phase inconsistency – amines
MEG-nC16H34 systems: Predicting MEG solid at 25oC, even though melting point of MEG and nC16H34 is -13oC and 18oC, respectively
Case Study 6: Phase Prediction
MEG-nC16H34 systems: Predicting MEG solid at 25oC, even though Melting point of MEG and nC16H34 is -13oC and 18oC, respectively
Case Study 6: Phase Prediction
New unit operation block Pump
Allows user to specify a discharge pressure or a pump
curve
NPSH calculations are performed
Reverse osmosis membrane
Manufacturer’s test conditions are used to calibrate
membrane properties
Laboratory test conditions can be alternatively used to
calibrate membrane properties
Calculation of concentration polarization
Calculation of fouling factor
Updates: New Unit Operation Block
Updates: Reverse Osmosis Membrane
Manufacturer’s test conditions or lab analysis data can be used
Updates: Reverse Osmosis Membrane
Test concentrations/rejections for molecular species and ionic species
are entered for manufacturer and lab analysis option, respectively.
Updates: Reverse Osmosis Membrane
Option for fixed pH operation, and selection of acid/base titrants
Concentration polarization and fouling factor calculation.
Area calculation or permeate recovery calculation.
Updates: Reverse Osmosis Membrane
Summary
Continuing improvement of OLI Engine
Convergence algorithm
Faster calculation
New features/requests
Reverse osmosis membrane block and case studies
Optimization tools
Support for OLI Flowsheet
Acknowledgement
Robert Young (Bob)
Arjun Ramesh
Chris Depetris
Rasika Nimkar
James Berthold
THANK YOU