gPROMS for simulation and modeling of reactors

Software and services for optimal reactor design and operation

"gPROMS allows us to improve the performance of industrial reactors using our catalysts significantly"

Christoph Bäumler
Director Engineering Services EMEA, Süd-Chemie

Recent publications

Hydrocarbon Processing:

Optimize terephthaldehyde reactor operations

Hydrocarbon Processing:

Enhanced methods optimize catalyst ownership costs

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.

Advanced Process Modeling couples first-principles models 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.

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

gPROMS Advanced Process Modelling (APM) 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.

Models

The Advanced Model Library for Fixed-Bed Catalytic Reaction (AML:FBCR) comprises technology-leading models 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

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 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.

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