gPROMS allows us to improve the performance of industrial reactors using our catalysts significantly
Christoph Bäumler
Director Engineering Services EMEA, Süd-Chemie
The complex reaction systems at the heart of many processes are often poorly understood.
Model-based techniques now make it possible to save tens of millions of dollars over the lifecycle of a reactor and achieve many other benefits by using accurate predictive data to make better design and operational decisions.
High-fidelity models couple a first-principles representation of reaction processes with laboratory, pilot plant and operating data, to create models with a high degree of predictive accuracy. These are then used to optimise many different aspects of equipment and process design and operation.
Once a design-accuracy reactor model is available, it can also be used for online monitoring and real-time optimisation over the life of the plant.
Publications

Hydrocarbon Processing
Optimize terephthaldehyde reactor operations [LG Chem, Korea]

Hydrocarbon Processing
Enhanced methods optimize catalyst ownership costs [Süd-Chemie, Germany]

Hydrocarbon Processing
Improve engineering via whole-plant design optimization [Repsol, Spain]
PSE offers a range of software, models and services – including a highly cost-effective project methodology and state-of-the-art model-based innovation (MBI) techniques – for optimising reaction process design and operation.
Application areas
PSE's tools and services are applied to reaction processes in a wide range of sectors. Click on the graphic for more information.
PSE provides...
PSE provides a comprehensive range of state-of-the-art tools and expert services for reactor and reaction modelling for a wide range of reactors.
Tools
- The gPROMS advanced process modelling environment is a sophisticated tool for multi-scale modelling of complex processes and phenomena.
- State-of-the-art model validation tools allow estimation of multiple model parameters from steady-state and dynamic experimental data, and provide rigorous model-based data analysis.
- Model-based experiment design capabilities can design experiments that generate the maximum amount of parameter information from the minimum number of experiments.
- The gPROMS–CFD Hybrid Multitubular interface provides ultimate accuracy in the modelling of mutitubular reactors by linking a CFD model of the shell-side fluid hydrodynamics to a gPROMS model of the tube-side catalytic reaction.
- The gPROMS–CFD Hybrid Multizonal interface similarly links gPROMS and CFD models for enhanced accuracy of fluidised-bed reactor modelling, and other applications where zone-based modelling is appropriate.
- Comprehensive tools for the optimisation of continuous and batch processes enable direct solution of design challenges instead of lengthy trial-and-error simulation.
We increased total annualised profit by several tens of millions of €/year
Hilario Martin Rodriguez
Repsol
Models
- The Advanced Model Library for Fixed-Bed Catalytic Reaction (AML:FBCR) comprises technology-leading models for fixed beds that represent many years' accumulated modelling expertise.
- PSE can provide advanced reaction models of all kinds, including fluidised-bed and various polymer reactors, customised to order.
Services
- PSE's ModelCare model configuration, validation and execution services, provide rapid project execution and transfer of know-how to customer personnel. ModelCare reactor projects follow a well-proven and cost-effective project methodology.
- PSE's expert Consulting services analyse and formulate customers' modelling requirements, execute model-based analyses, interpret results and advise on action – for example, appropriate experiments and measurement techniques.
- Model-based engineering and model-based innovation services help guide customers' experimentation and integrate R&D effort with engineering design and operational improvement. This speeds up R&D programmes and provides high-quality parameter information for design and risk analysis.





