SS DES-04B Combining PROII and GPROMS Custom Modelling to Enhance Competitive Advantage

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


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

UKs 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


But what is Advanced Process Modelling?

Based on accurate quantification

PSEs 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


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


Advanced Process Models

1

1 1 1

1

( )0 ( )

( ) ( )(1 ) ( ) ( ) ( )

( ) ( ) ( ) ( )( )( ) , 1, 1

( )

NRi

ij jj

NC NR NCf

i ij j i isol soli j i

NCi ii k k

k ik

N za r z

z

T z T zCp a H r z N z H z

t z z z

x z N z x z N zx zv z i NC

z D z

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


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)


Co

ola

nt

Co

ola

nt

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


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


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


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


Access to high-fidelity models using CAPE-OPEN


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


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


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


D E M O

1

5


Recorded DEMO


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


Thank you

SS DES-04B Combining PROII and GPROMS Custom Modelling to Enhance Competitive Advantage

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