Advanced Model Libraries

High-fidelity predictive models for reaction and separation

PSE provides Advanced Model Libraries (AMLs) of high-fidelity predictive models for reaction and separation, executing within gPROMS Process.

The key benefit of the AMLs is their unprecedented predictive capability, which allows rapid and accurate exploration of the design and operating decision space.

This enables companies to take better, faster and safer decisions in all areas of process design and operation, including mechanical design.

Why are they ‘advanced’?

AMLs represent the state-of-the-art for modelling in their respective application areas:

  • They contain models of unprecedented accuracy and level of detail – for example, catalytic reaction models that take into account multicomponent diffusion between bulk liquid and catalyst surface.
  • They model both steady-state and dynamic behaviour.
  • Where appropriate they can interact with Computational Fluid Dynamic (CFD) models, in particular where it is necessary to take detailed hydrodynamic effects into account – for example in design of multitubular reactors.
  • Because they are based on first-principles, they can be used across the process lifecycle, from design of laboratory experiments to online applications, and for a wide range of process conditions.
  • For similar reasons they are capable of being used in a wide variety of different process sectors – from pharmaceuticals and fuel cells to petrochemicals and refining.

By default AMLs are supplied in ‘customisable’ form. This means that you have access to the key areas where customisation is typically required – for example, reaction rate equations.

Advanced Model Libraries for separation

The following AMLs are available for separation processes:

AML:GLC – Gas-Liquid Contactors

The AML:GLC is a library of components for non-equilibrium modelling of packed column separation processes.Virtually any type of column can be modeled, from conventional packed columns for distillation, absorption and evaporation, to more complex units such as heat-integrated distillation columns, dephlegmators and falling-film columns.

Other separation models

The gPROMS Model Libraries contain sophisticated models for adsorption and membranes, as well as distillation and absorption.

Advanced Model Libraries for reaction

PSE provides the following AMLs for reaction as part of our extensive capabilities for reaction engineering:

AML for Fixed-bed Catalytic Reactors

The AML:FBCR is used for modelling reactors with any type of fixed catalyst bed configuration — for example, tubular or multitubular reactors. For multitubular configurations, PSE’s Hybrid Multitubular interface can be used to link gPROMS tube models to a CFD model of the shell-side fluid in order to provide unprecedented accuracy in temperature profile modelling.

AML for Fischer-Tropsch Reactors (Multitubular & slurry bed)

This library embodies PSE’s considerable experience in modelling of the complex Fischer-Tropsch reaction, including detailed catalytic reaction and hydrodynamic aspects. The library is provided in two forms: Fischer-Tropsch multitubular and Fischer-Tropsch slurry bed.

AML for Trickle Bed Reactors

This library extends the principles of the AML:FBCR, including detailed catalyst models, to trickle-bed reaction.

Licensing terms and conditions

The gPROMS AMLs are available as options of gPROMS Process.

Other advanced models

Note that PSE has many other high-accuracy models available that are provided as part of a product (or may not yet be provided within a library framework).

For example, the fuel cell AMLs for SOFC and PEMFC, which provide ultra-high-fidelity modelling of fuel cell components and systems, are supplied as part of the gFUELCELL product. Similarly, PSE’s advanced crystallization libraries are supplied as part of the gCRYSTAL or gSOLIDS products.

Please contact us if you are looking for a model for a particular application

More Information

PSE’s AML:FBCR can be used to optimize multitubular reactor mechanical design

PSE’s AML:GLC can be used for rate-basd modelling of almost any type of gas-liquid separator, including reaction