Kinetic-free sizing criterion for the thermally controlled scale-up of batch fine-chemical processes.

• A criterion is proposed to estimate the heat transfer surface in batch reactors. • The proposed criterion allows for a more reproducible quality of the final product. • The proposed approach is kinetic-free. • The proposed criterion has been validated through some industrial data. A number of newly developed exothermic reactions of the fine-chemical industry can be safely tested at the industrial scale in an existing batch reactor since they cannot lead to dangerous reactor overpressures even under adiabatic conditions. However, when the process is scaled from a laboratory to an industrial reactor, the normal decrease of the heat transfer efficiency per unit volume can be so relevant that at the industrial scale the process cannot be thermally controlled, leading to a lower and less reproducible quality of the final product. In these cases, the industrial reactor must be equipped with an external heat transfer surface in addition to that provided by the reactor jacket only. The sizing of such an additional surface through conventional tools requires the knowledge of the heat release rate in the recommended temperature range and hence of the system kinetic behavior, which is often a missing information in the fine-chemical industry due to the fragmentation of the involved processes. In this work, a kinetic-free sizing criterion is presented for the temperature-controlled scale-up of intrinsically safe exothermic reactions carried out in the batch mode of operation, allowing for a simple and general estimation of the required heat transfer surface at the industrial scale from the analysis of the pseudo-adiabatic temperature trends measured during the original industrial batches. The proposed methodology has been validated using a set of process information about the final nitration step for the synthesis of an API as well as industrial-scale data collected during the scale-up of a water-in-oil emulsion polymerization for the synthesis of a polycationic thickener used in the cosmetic industry. [ABSTRACT FROM AUTHOR]