Abstract
Abstract This work presents the simulation-based comparison of batch and flow syntheses of a drug substance. The target reaction is heterogeneous hydrogenation which is the most widely used reduction method in pharmaceutical synthesis. We developed rigorous physical models of batch and flow syntheses considering the decrease in catalyst activity due to poisoning. Sensitivity analysis of reaction rate constant and viscosity was performed. The reaction rate constant had an effect on the conversion of both batch and flow syntheses. On the other hand, the impact of viscosity on conversion was greater in flow synthesis than in batch synthesis. This result suggests the importance of careful selection of operational conditions when changing from batch to flow synthesis as optimal conditions might differ between them.
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