Real-Time In-Flow Reaction Monitoring First, a calibration procedure is performed on known synthetic mixtures of

reactants and reaction products. Those mixtures are then measured in-flow by
IR spectroscopy. The IR data are then preprocessed to determine spectral regions
containing the most relevant information. Finally, a model is built to estimate
target molecule concentration. This model is then validated in the lab using
previously unknown mixtures as seen below. The target molecule concentration
estimate will be used by the AI agent to autonomously pilot the reaction.

Autonomous factory powered by AI and flow chemistry

PIPAc (Production Intelligente de Principes Actifs) will bring the first

AI-powered autonomous industrial demonstrator for active pharmaceutical Autonomously piloted systems require a sensing apparatus for the state
ingredients (APIs) manufacturing. The outcome is high-quality API production, estimation. Our goal is to analyze data captured in real-time to distinguish and
safer by design. The innovation relies on several key ingredients: continuous flow quantify reaction products directly in-flow. This is essential for reaction
chemistry, artificial intelligence, and additive manufacturing. monitoring and control. Spectroscopy methods for chemical products detection
are attractive because of their relatively low cost and ease of use. Analyzed spectral data provide an estimate for target molecule concentrations
In flow chemistry, chemical reactions are performed in a continuous flow, rather
A key advantage of using IR for in-line reaction monitoring is its ability to provide
than in batch mode. This allows for better control and optimization of the
fast results. Because the technique is non-invasive and does not require contact
reaction conditions, leading to higher yields and better product purity.
with the sample, it is used to monitor reactions in real-time without disrupting
Continuous flow chemistry approach can also reduce the amount of produced
the process. In addition, IR spectroscopy can be used to analyze a wide range of
waste and reduce energy use. A small amount of any intermediate reaction
compounds, including both organic and inorganic substances.
products guarantees a safer process at all times. Additionally, this approach is
easier and faster to scale-up, reducing time to market, and is compact. Perspectives
Therefore, it allows for mobile production on-demand, which is highly relevant
for this application. Real-time in-flow reaction monitoring is a technique that allows us to monitor
chemical reactions as they occur, in real-time. This allows us to control the
Artificial intelligence (AI) takes the advantages of flow chemistry one step further
reaction more accurately and effectively, by using an AI agent to adjust the
by adapting synthesis parameters in real-time to an ever-changing environment.
reaction conditions on-the-fly. By doing this, we can optimize the reaction to
For example, the flow rate is adapted to any fluctuations of the reactor
produce the desired outcome more efficiently and with fewer waste products.
temperature to guarantee the best yield. Available 24/7, AI will reduce
This is particularly useful for reactions that are difficult to control or that require
operator’s stress and thus reduce the risk of making a mistake. Another feature
Preprocessed IR spectral data are analysed to determine the progress of the reaction precise conditions to be successful. In addition, we are planning to integrate an
enabled by AI will be predictive maintenance of the installation.
NMR instrument for reaction monitoring. The NMR technique will give us more
Infrared (IR) spectroscopy is a valuable technique for real-time in-line reaction structural information and the capacity to quantify without the need to have
Finally, additive manufacturing (3D printing) is changing the way we design the
monitoring, providing a fast and non-invasive method for analyzing chemical references standards.
process. We manufacture chemical reactors tailored specifically to the reaction.
reactions. By measuring the absorption of IR light by a sample, it is possible to
By using customized design and materials, we improve mixing properties, heat
determine the unique "fingerprint" of a chemical compound and identify its In our demonstration, we will show how the AI agent can be used to pilot a
transfer, chemical resistance, and other characteristics. This enhances reaction
presence and concentration in a mixture. This allows for continuous monitoring continuous flow process, adjusting the reaction conditions (such as flow rate) in
performance, while further reducing energy consumption.
of reactions, enabling better control and optimization of the process. real-time to achieve the best possible outcome. These lab-scale demonstrations
will open the door towards the first industrial chemical production demonstrator
autonomously piloted by AI.