The complex reaction systems at the heart of many processes are often poorly understood, and as a consequence their design and operation are not subject to systematic optimization.

Digital design techniques that apply model-based engineering principles and methodologies 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 information to make better design and operational decisions.

How does it work?

High-fidelity models couple a first-principles representation of reaction processes with laboratory, pilot plant and operating data, to provide a high degree of predictive accuracy.

These are then used to optimise many different aspects of equipment and process design and operation, including the mechanical design.

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.

Siemens PSE offers a range of software, models and services – including a highly cost-effective model-based engineering project methodology and state-of-the-art model-based innovation (MBI) techniques – for optimising reaction process design and operation.

Tubular & multitubular reactors

Siemens PSE provides a wide range of software and services for design and troubleshooting of fixed-bed reactors, particularlly for partial oxidation reactions. See AML:FBCR and reactor design services.

Falling film reactors

Falling film reactors, often used in food processing and manufacture of consumer products, can be very difficult to design because of the combination of reaction, heat transfer and hydrodynamic phenomena. See falling film.

Monolith reactors

Monolith reactors, used in applications such as car exhaust catalytic converters, can experience significant temperature and concentration gradients within very small spaces. This requires very careful design based on detailed reaction kinetics and mass transfer considerations.

Trickle-bed, fluidised bed & others

Siemens PSE has a wide range of high-fidelity reactor models – gas-liquid CSTR, trickle-bed, fluidised bed, bubble column and others – that can be supplied on request.

Siemens PSE provides…

Siemens 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.

Products and models

gPROMS Process provides a unique advanced process simulation tool capable of handling sophisticated reactor models as well as separation facilities.

  • The gPROMS Process Advanced Model Libraries (AMLs) for Fixed-Bed Catalytic Reaction (AML:FBCR), Fischer-Tropsch Reactors, Bubble Column Reactors and Trickle-Bed Reactors are world-leaders in multi-scale reactor modelling capabilities that represent many years’ accumulated modelling expertise.
  • 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.
  • Siemens PSE can provide advanced reaction models of all kinds, including fluidised-bed and various polymer reactors, customised to order.

Platform capabilities

  • The gPROMS environment provides a sophisticated tools 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 assist design of experiments that generate the maximum amount of parameter information from the minimum number of experiments.
  • 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.
  • Global system analysis (GSA) capability allows you to systematically explore the process design and operational decision space and quantify risk and uncertainty
  • Comprehensive tools for the optimisation of continuous and batch processes enable direct solution of design challenges instead of lengthy trial-and-error simulation, including simultaneously whole-plant optimisation of reaction and separation sections.

Services

  • Siemens 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 model-based engineering project methodology.
  • Siemens PSE’s expert Consulting services analyse and formulate customers’ modelling requirements, build fit-for-purpose reactor models, analyse and interpret results and advise on action.
  • Our model-based engineering and model-based innovation digital design services help guide experimentation programmes 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.
  • We also offer a cost-effective laboratory experimentation service for companies that are unable to perform the required experiments in their own facilities.
More Information

Find out more

Overview Reaction Separation Polymerization

Reaction Section

Advantages & benefits Partial oxidation reactions

Cases

Multitubular reactors

See also

AML for Fixed-Bed Catalytic Reactors Reactor design services
gPROMS allows us to improve the performance of industrial reactors using our catalysts significantly
CHRISTOPH BÄUMLER DIRECTOR ENGINEERING SERVICES EMEA, CLARIANT

Publications

Industrial & Engineering Chemistry Research
From Laboratory to Industrial Operation: Model-Based Digital Design and Optimization of Fixed-Bed Catalytic Reactors

Hydrocarbon Processing

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

Hydrocarbon Processing
Improve engineering via whole-plant design optimization [Repsol, Spain]