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The future competitiveness of the process industry and their providers depends on its ability to deliver high quality and high value products at competitive prices in a sustain-able fashion, and to adapt quickly to changing customer needs. The transition of pro-cess industry due to the mounting digitalization of technical devices and their provided data used in chemical plants proceeds. Though, the detailed characteristics and con-sequences for the whole chemical and pharmaceutical industry are still unforeseeable, new potentials arise as well as questions regarding the implementation. As the digitali-zation gains pace fundamental subjects like the standardization of device interfaces or organization of automation systems must be answered. Still, process industry lack of sufficient system and development concepts with commercial advantage from this trend.
Compared to traditional batch processes, intensified continuous production allows new and difficult to produce compounds with better product uniformity and reduced con-sumption of raw materials and energy. Flexible (modular) chemical plants can produce various products using the same equipment with short down-times between cam-paigns, and quick introduction of new products to the market.
Full automation is a prerequisite to realize such benefits of intensified continuous plants. In continuous flow processes, continuous, automated measurements and closed-loop control of the product quality are required. Consequently, the demand for smart sensors, which can monitor key variables like component concentrations in real-time, is increasing. Low-Field NMR spectroscopy presents itself as such an upcoming smart sensor1,2 (as addressed, e.g., in the CONSENS project3).
Systems utilizing such an online NMR analyzer benefits through short development and set-up times when applied to modular production plants starting from a desired chemi-cal reaction3. As an example for such a modular process unit, we present the design and validation of an integrated NMR micro mixer based on computational modelling suited for a desired chemical reaction. This method includes a proper design of a con-tinuous reactor, which is optimized through computational fluid dynamics (CFD) for the demands of the NMR sensor as well as for the given reaction conditions. The system was validated with a chemical reaction process.
Intensified continuous processes are in focus of current research. Compared to traditional batch processes, intensified continuous production allows the synthesis of new and difficult producible compounds with better product uniformity and reduced consumption of raw materials and energy. Flexible (modular) chemical plants can produce various products using the same equipment with short down-times between campaigns, and quick introduction of new products to the market.
Full automation is a prerequisite to realize such benefits of intensified continuous plants. In continuous flow processes, continuous, automated measurements and closed-loop control of the product quality are required. Consequently, the demand for smart sensors, which can monitor key variables like component concentrations in real-time, is increasing. Low-Field NMR spectroscopy presents itself as such an upcoming smart sensor (as addressed, e.g., in the CONSENS project1,2).
Systems utilizing such an online NMR analyzer benefits through short development and set-up times when applied to modular production plants starting from a desired chemical reaction. As an example for such a modular process unit, we present the design and validation of an integrated NMR micro mixer based on computational modelling suited for a desired chemical reaction. This method includes a proper design of a continuous reactor, which is optimized through computational fluid dynamics (CFD) for the demands of the NMR sensor as well as for the given reaction conditions. The system was validated with a chemical reaction process.
There have been an increasing number of publications on flow chemistry applications of compact NMR. Despite this, there is so far no comprehensive workflow for the technical design of flow cells. Here, we present an approach that is suitable for the design of an NMR flow cell with an integrated static mixing unit. This design moves the mixing of reactants to the active NMR detection region within the NMR instrument, presenting a feature that analyses chemical reactions faster (5–120 s region) than other common setups. During the design phase, the targeted mixing homogeneity of the components was evaluated for different types of mixing units based on CFD simulation. Subsequently, the flow cell was additively manufactured from ceramic material and metal tubing. Within the targeted working mass flow range, excellent mixing properties as well as narrow line widths were confirmed in validation experiments, comparable to common glass tubes.