OLI Engine Improvements

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


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


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


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


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


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


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


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

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

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


Test concentrations/rejections for molecular species and ionic species

are entered for manufacturer and lab analysis option, respectively.


Option for fixed pH operation, and selection of acid/base titrants

Concentration polarization and fouling factor calculation.

Area calculation or permeate recovery calculation.


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

OLI Engine Improvements

Documents

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