Modelling and simulation of pharmaceutical processes

Design and optimization of reaction systems

Typical pharmaceutical reactors

Falling-film reactor

Reaction is a fundamental operation in pharmaceutical production. However, frequently very little is known about the reaction kinetics of the system.

PSE has a range of high-accuracy reactor models that execute within the powerful gPROMS software platform.

To complement this we provide a reaction characterisation service under PSE ModelCare that identifies the reactions occurring in a particular mixture and provides accurate kinetic constants for them using your own experimental data if available.

Once the reaction model is well-defined, it can be used in design, scale-up and optimisation of processes — batch or continuous — based on reliable quantitative information.

PSE's Model-Based Innovation combines first-principles reaction models and experimental data to accelerate development and guide experimental programmess, thus minimising R&D spend and helping to integrate R&D and engineering.

Benefits of modelling reaction systems

Using an Advanced Process Model of the reactor and reaction system, it is possible to:

Optimise design and operations to ensure you achieve the required quality and throughput
Enhance product quality by determining the conditions that ensure you get it right every time
Design and scale-up for maximum product quality. Only modelling allows you to design reliably taking into account variations in raw materials and other conditions.
Reduce batch times. Optimisation techniques can determine the minimum time required to satisfy all your quality requirements while taking into account process constraints
Characterise reaction sets. Understanding the full reaction set helps you to design and optimise with confidence.
Accelerate process development. Modelling helps achieve the best designs in the minimum time.
Develop greater knowledge and understanding of reaction processes that allows informed design and operating decisions in the future.
Reduce R&D time and cost. Modelling helps to accelerate R&D programmes through techniques such as model-based data analysis and model-based experiment design.
Integrate R&D and engineering. Modelling helps integrate numerous functions across the organisation around a common mechanism for knowledge capture and transfer, streamlining operations at every turn.

How PSE can help

PSE's ModelCare service can provide you with a high-accuracy predictive model of your reactor and reaction, incorporating your own laboratory or pilot data where preferred.

We can then apply, or help you to apply, optimisation techniques to maximise quality, throughput and reproducability while minimising batch times.