gPROMS FormulatedProducts's active ingredient manufacture libraries provide sophisticated mechanistic models to facilitate workflows for design and optimization of steps such as synthesis, fluid separation, crystallization and wet milling, and filtration and drying.

Users can identify dominant mechanisms, maximize the formation of the required polymorphs and estimate model parameters that allow extrapolation of knowledge. Validated models can then be used for investigating batch vs continuous operation, process scale-up, optimization of process operation at the manufacturing scale and many other activities.

gCRYSTAL overview

The libraries enable efficient and effective design, optimization and operation of crystallizers and crystallization processes, reducing the financial and operational risks associated with these procedures.

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Design, explore, and optimize manufacturing routes to produce the desired molecules in the most efficient way, with desired purity level, and also minimise formation of chemical by-products. Models can be used to ensure the inherent robustness and safety of the process as well as additional robustness provided by process control.

Fluid separation

Optimize the design of fluid separation processes such as extraction and distillation processes to purify the products from synthesis for further downstream processing, e.g. crystallization. You can explore the design of multi-phase systems where solvents can be added or swapped to remove unwanted materials and ensure desired molecule purity and production safety.

Crystallization and wet milling

With PSE’s crystallization and wet milling models users can design and optimize processes that consistently deliver the particles of the required size (distribution) and purity.  The use of these models and a small number of targeted experiments allows for a step change in R&D efficiency.

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Filtration and drying

Using filtration and drying models, you can explore the routes to develop efficient filtration processes with minimal drying times that result in the necessary moisture levels of the dry product, thus improving the efficiency not only of the filtration step but also subsequent downstream steps.