Invensys User meeting

October 2014

Combining PRO/II & gPROMS custom

modelling to enhance competitive advantage
Pieter Schmal Pr. Application Engineer

2014 Process Systems Enterprise Limited

HISTORY: FROM RESEARCH TO INDUSTRY

1989 1997

1997

Now
US TX

US NJ

London HQ

Switzerland

Korea

Japan

120+ people
>50% PhDs
100s of person-years of
R&D with industry

Company spun out

Acquires technology

Simulation & modelling,

optimisation, numerical
solutions techniques,
supply chain

Private, independent company

incorporated in UK

Saudi Arabia

India

Thailand

Advanced Process Modelling

Software and services (60:40)

Major process industry focus all sectors
Strong R&D
Strong commercials

Royal Academy MacRobert Award for Engineering Innovation

UKs highest engineering award
2014 Process Systems Enterprise Limited

Malaysia Taiwan

China

PSEs business

ADVANCED PROCESS MODELLING

Technology and services for the process industries
Decisions, decisions
Equipment
configuration

Based on accurate quantification

Operating conditions

First-principles
models

Validated against data

(where appropriate)

But what is Advanced Process Modelling?

Explore decision space rapidly

Catalyst
choices

ReduceOperating
uncertainty
policy

Scale up

Better, faster, safer decisions

Whole plant optimisation

2014 Process Systems Enterprise Limited

Rigorous physical
property calculations

Rigorous
optimisation

TASK language for

operating policy

gPROMS product family

General
mathematical
modelling

gPROMS ModelBuilder
Advanced process
modelling environment

Sector-focused modelling tools

Chemicals &
Petrochemicals

gPROMS ProcessBuilder
Advanced process
simulation

Life Sciences,
Consumer, Food,
Spec & Agrochem

Solids process
optimisation

Crystallization
process optimisation
Advanced model
libraries for reaction
& separation

Oral absorption

Power & CCS

Oil & Gas

Wastewater
Treatment

CCS system modelling

Flare networks &

depressurisation

Wastewater systems
optimisation

Fuel Cells &

Batteries

Fuel cell stack &

system design

The gPROMS platform

Equation-oriented modelling & solution engine

Materials
modelling
2014 Process Systems Enterprise Limited

Model
deployment
tools

Enterprise Objects

Deploy models in common engineering software

Advanced Process Models

0

1. Build first-principles models

NR
N i (z )
a ij rj (z )
z
j 1

NC
f NR
NC
T (z )
T (z )

solCpsol
(1 )

a H i ij rj (z ) N i (z )H i (z )
t
z
z

z
i 1
j 1
i 1

NC x (z )N (z ) x (z )N (z )
x i (z )
i
k
k
v (z ) i
, i 1, NC 1
z
Dik (z )
k 1

Literature, research
or model libraries
Implement in ModelBuilder
environment

Model equation

2. Validate model against

experimental data

Model
parameter

Experimental data

5
2014 Process Systems Enterprise Limited

Adjust model parameters

to match reality

Example: Multitubular reactor

Catalyst particle
1-D model
Catalytic reaction
Multicomponent diffusion
Heat transfer

1-D

Implementation single tube

Catalyst fixed-bed
section

Distributor & aggregator

(for radial distribution)

2-D
axial

radial

Inert fixed-bed
section

Coolant

Catalyst-filled tube
2-D (axial, radial)
Bed and wall heat transfer
Mass transfer

Shell
Baffled compartments
Detailed geometry
Heat transfer
Hydraulics

2014 Process Systems Enterprise Limited

Relevant products

Bed heat and mass transfer

phenomena
Intra-pellet heat
conduction

Catalyst pellet heat and

mass transfer phenomena

Catalyst pellets/ inert

Multicomponent solidgas mass transfer

Convective heat
transfer in coolant

Heat transfer
between packed bed
and wall

Intra-pore
convection

Catalyst
pellet

Coolant

Coolant

Radial heat
conduction in
packed bed

Tube wall

Intra-pore
diffusion

Diffusion
across film

Axial convective heat

transfer in gas
Radial
diffusion/dissipation

Heat transfer
between solid and
gas
Radial conduction
in tube walls
Heat transfer between
tube and coolant
2014 Process Systems Enterprise Limited

Heat conduction

Catalytic reaction on
pore surface

Thermowell
Energy carried by solid-gas
diffusive mass transfer

Advanced Process Modelling execute & deploy

3. Execute model

in native form within

gPROMS ModelBuilder
Optimise design parameters
and operating conditions
reactor diameter
tube length

baffle window size

baffle span
outer tube limit
inner tube limit
tube size
1
arrangement, pitch

coolant
flowrate
coolant temp

9
3 4 5 11
2014 Process Systems Enterprise Limited

Link to CFD for shell-side

hydrodynamics
Shell temperature
contours from FLUENT

Axial and radial tube

temperature profiles
from ModelBuilder

Advanced Process Modelling execute & deploy

Leverage investment
Gain multiple payback
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

4. Deploy model

2014 Process Systems Enterprise Limited

Key advantages
Leverage investment
Best

enhanced ROI

of both

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

2014 Process Systems Enterprise Limited

PRO/II

Corporate standard
flowsheeting
Accurate reaction combined
with distillation and other
flowsheet elements
Consistent physprops
All other advantages of PRO/II

Access to high-fidelity models using CAPE-OPEN

2014 Process Systems Enterprise Limited

What is CAPE-OPEN?

An industry standard for interoperabilityinterfaces 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)

2014 Process Systems Enterprise Limited

CAPE = Computer Aided

Process Engineering

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

DEMO

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

2014 Process Systems Enterprise Limited