© 2014 Process Systems Enterprise Limited
Pieter Schmal – Pr. Application Engineer
Combining PRO/II & gPROMS custom modelling to enhance competitive advantage
Invensys User meeting October 2014
© 2014 Process Systems Enterprise Limited
Private, independent company
incorporated in UK
1997
Company ‘spun out’
Acquires technology
HISTORY: FROM RESEARCH TO INDUSTRY
Advanced Process Modelling Software and services (60:40)
Major process industry focus – all sectors
Strong R&D
Strong commercials
1989 – 1997 Now
Royal Academy MacRobert Award for Engineering Innovation
UK’s highest engineering award
100s of person-years of
R&D with industry
Simulation & modelling,
optimisation, numerical
solutions techniques,
supply chain
London HQ Korea Japan US NJ US TX Switzerland
India Saudi Arabia Thailand Malaysia China Taiwan
120+ people >50% PhDs
© 2014 Process Systems Enterprise Limited
But what is Advanced Process Modelling?
Based on accurate quantification
PSE’s business
ADVANCED PROCESS MODELLING Technology and services for the process industries
Decisions, decisions …
Whole plant optimisation
Equipment
configuration
Catalyst
choices
Operating conditions
Scale up
Operating
policy
First-principles
models
Validated against data
(where appropriate)
Rigorous physical
property calculations
TASK language for
operating policy
Reduce uncertainty
Better, faster, safer decisions
Explore decision space rapidly
Rigorous
optimisation
© 2014 Process Systems Enterprise Limited
gPROMS product family
The gPROMS platform Equation-oriented modelling & solution engine
Sector-focused modelling tools
CCS system modelling
Power & CCS
Flare networks & depressurisation
Oil & Gas
Solids process optimisation
Crystallization process optimisation
Oral absorption
Life Sciences, Consumer, Food, Spec & Agrochem
Materials modelling
Fuel cell stack & system design
Fuel Cells & Batteries
Wastewater systems optimisation
Wastewater Treatment
Model deployment tools
Deploy models in common engineering software
Enterprise Objects
General mathematical modelling
gPROMS ModelBuilder Advanced process modelling environment
Chemicals & Petrochemicals
Advanced model libraries for reaction & separation
gPROMS ProcessBuilder Advanced process simulation
© 2014 Process Systems Enterprise Limited
Advanced Process Models
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Model parameter Experimental data
5
1. Build first-principles models
Literature, research or model libraries
Implement in ModelBuilder environment
2. Validate model against experimental data
Adjust model parameters to match reality
Model equation
© 2014 Process Systems Enterprise Limited
Example: Multitubular reactor
Catalyst particle 1-D model Catalytic reaction Multicomponent diffusion Heat transfer
Catalyst-filled tube 2-D (axial, radial) Bed and wall heat transfer Mass transfer
Shell Baffled compartments Detailed geometry Heat transfer Hydraulics
1-D
2-D axial
radial
Relevant products
Implementation – single tube
Catalyst fixed-bed section
Inert fixed-bed section
Coolant
Distributor & aggregator (for radial distribution)
© 2014 Process Systems Enterprise Limited
Co
ola
nt
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ola
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Energy carried by solid-gas
diffusive mass transfer
Intra-pellet heat
conduction
Bed heat and mass transfer phenomena
Convective heat
transfer in coolant
Heat transfer
between packed bed
and wall
Axial convective heat
transfer in gas
Heat transfer
between solid and
gas
Radial heat
conduction in
packed bed
Heat transfer between
tube and coolant
Radial conduction
in tube walls
Multicomponent solid-
gas mass transfer
Intra-pore
diffusion
Heat conduction
Catalytic reaction on
pore surface
Radial
diffusion/dissipation
Intra-pore
convection
Catalyst pellets/ inert
Tube wall
Thermowell
Catalyst
pellet
Diffusion
across film
Catalyst pellet heat and mass transfer phenomena
© 2014 Process Systems Enterprise Limited
Advanced Process Modelling – execute & deploy
3. Execute model
in native form within gPROMS ModelBuilder
coolant flowrate
inner tube limit
baffle window size
baffle span
outer tube limit
coolant temp
reactor diameter
tube size
arrangement, pitch
1
2
3 4 5
7
9
tube length
8
11
Shell temperature contours from FLUENT
Axial and radial tube temperature profiles from ModelBuilder
Optimise design parameters and operating conditions
Link to CFD for shell-side hydrodynamics
© 2014 Process Systems Enterprise Limited
Advanced Process Modelling – execute & deploy
4. Deploy model
in exported form within
Within MATLAB, using gO:MATLAB
behind a bespoke web, VBA or Excel interface, using gO:Run
within PRO/II via gO:CAPE-OPEN …
Leverage investment Gain multiple payback
© 2014 Process Systems Enterprise Limited
Key advantages …
gPROMS ModelBuilder
Design-level reactor models
Fit experimental data accurate kinetics
Characterise catalyst
Analyse startup and grade change
Optimise operating conditions for max catalyst life
PRO/II
Corporate standard flowsheeting
Accurate reaction combined with distillation and other flowsheet elements
Consistent physprops
All other advantages of PRO/II
Leverage investment enhanced ROI
Best of both
© 2014 Process Systems Enterprise Limited
Access to high-fidelity models using CAPE-OPEN
© 2014 Process Systems Enterprise Limited
What is CAPE-OPEN?
An industry standard for interoperability-interfaces between software components
“THE non-proprietary interface standard in
process simulation”
A successful collaboration between software vendors, end-users and academics
A proven IT technology implemented in most process simulation tools
Maintained through CAPE-OPEN Laboratories Network (CO-LaN)
CAPE = Computer Aided Process Engineering
© 2014 Process Systems Enterprise Limited
What are the steps to use a gPROMS model in PRO/II ?
1. Build your gPROMS model (client)
2. Export it using a GUI
3. Import it into PRO/II (host)
4. Run your simulation
© 2014 Process Systems Enterprise Limited
Features of CAPE-OPEN
Features of CAPE-OPEN:
Information flow is well-defined
Physical property package of host (PRO/II) is automatically used to ensure full consistency in the flowsheet
Access to settings of custom model through standard interface
Solution engine of client (gPROMS) is used to solve the model
© 2014 Process Systems Enterprise Limited
D E M O
1
5
© 2014 Process Systems Enterprise Limited
Recorded DEMO
© 2014 Process Systems Enterprise Limited
End result
High-fidelity models available in your favorite flow sheeting tool: PRO/II
Any type of model
Virtually any size/level of detail
Better predictability due to parameter estimation capability results in
Safer operation
More efficient and reliable operation
More profit
© 2014 Process Systems Enterprise Limited
Thank you