gPROMS application areas

gPROMS provides unparalleled capabilities for advanced modelling of complex processes for use in design and optimisation of operations.

Because gPROMS models are typically first-principles models dealing with fundamental phenomena, fitted to observed data, similar models can be applied across many different application areas and across different sectors with relatively little incremental effort.

For example, reactor modelling techniques and library models are equally applicable to the chemical, petrochemical, refining and pharmaceutical sectors.

Indeed, the heat-and-mass transfer models typically used for detailed reaction apply with little modification to rate-based reactive distillation.

PSE and gPROMS advantages

The key advantages that PSE and gPROMS bring to Advanced Process Modelling in all sectors and application areas are:

the gPROMS modelling environment itself
model content embodied in the Process Model Library (PML), supplied as standard with gPROMS ModelBuilder, and the optional application-specific Advanced Model Libraries (AMLs)
the PSE Consulting and ModelCare services

Key gPROMS application areas

Key cross-sector application areas where PSE has leading capabilities are:

Reaction modelling

"The model of our multitubular reactor we built with PSE gave us perfect insight into the internal working of the process."

— Dr Sang Phil Han, LG Chem, Ltd

PSE has extensive capabilities in modelling many types of reactor to a high level of predictive accuracy.

Our approach is to use first-principles modelling, with validation against laboratory, pilot plant or operational data using Model-Based Innovation techniques pioneered by PSE.

Typically we work closely with customers under a ModelCare agreement, using well-proven PSE models such as those found in the Advanced Model Library for Fixed-Bed Catalytic Reactors (AML:FBCR).

Where ultimate accuracy is required, we use microkinetic approaches and links to CFD for hydrodynamics modelling - for example, via the Hybrid gPROMS—CFD Multitubular option. For typical applications, see the following pages:

Crystallisation modelling

PSE is a world leader in crystallisation process modelling, a position gained through our work in the EU-funded SINC-PRO and TU Delft UNIAK and Cryscode projects, and by working with customers such as BP Chemicals, PURAC and Danisco in pioneering applications.

"The power and flexibility of the gPROMS environment and the expert ModelCare consulting support have allowed us to develop a state-of-the-art model for a complex crystallisation process with minimum time and effort"

— Steve Pietsch

Senior Research Associate, BP Chemicals

We have embodied this expertise in the Advanced Model Library for Solution Crystallisation (AML:SC), which contains state-of-the-art population balance and kinetic models within a flexible flowsheeting framework.

In order to take into account hydrodynamic effects where this is necessary, we provide the gPROMS—CFD Hybrid Multizonal option. This links multi-zone (multi-compartment) gPROMS models to corresponding Fluent^® models of the fluid dynamics.

As with reaction, a typical project involves working closely with customers under a ModelCare agreement, applying the AML:SC models within a Model-Based Innovation framework.

See Solution crystallisation for more information.

Separation modelling

PSE is also a leader in rate-based (non-equilibrium) modelling of separation columns.

Our Advanced Model library for Gas—Liquid Contactors (AML:GLC) is a simple-to-use toolkit of highly-sophisticated models that use Maxwell-Stefan multicomponent diffusion models to provide unprecedented predictive accuracy for both steady-state and dynamic operation.

gPROMS' steady-state and dynamic optimisation capabilities can be used to optimise items as diverse as equipment size; operating policy (including startup, shutdown and grade transition procedures) and controller parameter tunings.

Optimisation calculations can incorporate integer (discrete) decisions where necessary, for use in determining optimal feed and draw tray location, control scheme selection, and general process synthesis.

The AML:GLC is also the first general-purpose capability that allows easy construction of heat-integrated distillation column (HIDiC) and other divided wall or partition column models for both dynamic and steady-state analysis. See the following pages for more information.

Fuel Cell component and system modelling

gPROMS' modelling capabilities and Model-Based Innovation techniques come together to provide a the most powerful facilities available for fuel cell component and system modelling.

Key gPROMS advantages are:

the ability to model diffusion, chemical reaction and electrochemistry within a single solution framework
the ability to rigorously incorporate experimental data into models using model-based data analysis; to design optimal experiments; and generally to accelerate development using Model-Based Innovation techniques
powerful solution facilities capable of solving simultaneously the resulting complex set of equations
hybrid modelling capabilities to link detailed hydrodynamic effects to the gPROMS phenomenological model
a flowsheeting framework for modelling the entire fuel cell system
the ability to model both the cell stack and the fuel preparation system within the same framework
dynamic simulation and optimisation capabilities for rigorously optimising performance during startup and load change

See Fuel Cell modelling — an overview for more details.

Biotechnology process modelling

The principles applied in PSE's reaction and crystallisation technology apply very closely to biotechnology applications.

In addition, Model-Based Innovation techniques can be used to significantly improve the quality and efficiency of data gathering while reducing experimentation time.

PSE has developed high-accuracy models of fermentation and biotreatment processes that incorporate a level of detail way beyond that found in other commercial software.

In addition, gPROMS brings the following advantages:

the ability to many complex effects using a first-principles approach within a single solution framework
the ability to rigorously incorporate experimental data into models using model-based data analysis; to design optimal experiments; and generally to accelerate development using Model-Based Innovation techniques
powerful solution facilities capable of solving simultaneously the resulting complex set of equations
a flowsheeting framework to allow optimisation of the entire system
dynamic simulation and optimisation capabilities for rigorously optimising performance during transition
the ability to use rigorous models online for continuous monitoring and soft-sensing of unmeasured variables.

See biotreatment white paper [pdf] for more details.

Batch process optimisation

PSE's gPROMS was specifically designed as a modelling tool for optimisation of batch processes.

gPROMS' dynamic modelling and optimisation capabilities, coupled with its powerful task language, are ideally suited to maximising product yield, for example, or minimising batch time subject to process and material constraints.

See Batch process optimisation for more details.

Advanced plant automation

PSE has for many years worked with automation vendors such as Honeywell, ABB and IPCOS Technology to supply state-of-the art tools for the new generation of plant automation.

This means that rigorous models can be used online for a variety of purposes:

data reconciliation and yield accounting
equipment and process health monitoring - for example, to monitor catalyst state
soft-sensing of unmeasured variables
to generate 'current-state' linear models for use in Model-based Predictive Controllers (MPCs) and transition optimisers
real-time optimisation (RTO) based on rigorous models in which constraints can be accurately represented .