Synthesis of But-2-yne-1,4-diol in a slurry bed reactor: Mechanisms, kinetics and process optimization

In this study, but-2-yne-1,4-diol was synthesized via acetylenic-aldehyde coupling reaction in a custom-designed quasi-industrial stirred slurry bed reactor. Employing industrial-grade catalysts, we systematically examined the influences of pH ranging from 5 to 9 on reaction mechanisms and established temperature-modulated kinetic profiles within 328–358 K under semi-batch operations. We then identified the specific reaction network using time-resolved product analysis, and revealed the reaction activation energies of individual steps through kinetic modeling. The model validation results illustrated that the kinetic model was reliable, and subsequently used to study the effects of reaction time and temperature on the yield of but-2-yne-1,4-diol. Finally, based on model predictions, response surface methodology was employed to optimize the reaction conditions, and the optimized operational parameters were successfully validated by experiments. This integrated analysis framework connects mechanistic insights with reactor-scale engineering, providing practical guidance for pH-temperature coupled control and scale-up driven hydrodynamic design.