From the safety point of view, thermal risk analysis in the process industry is generally of significant importance and often requires calorimetric and kinetic modeling. These techniques were applied for the first time in the study of a highly exothermic condensation reaction, which is used to prepare 2,2′-methylene-bis(4,6-di-tert-butylphenol) phosphate chloride, a quite important intermediate in the fine chemical industry. The thermodynamics properties such as reaction heat, adiabatic temperature rise, and specific heat capacity of the synthesis reaction were experimentally investigated under isothermal conditions using a robust process analytical technology-based in-line reaction calorimeter EasyMax. A kinetic correlation model was developed based on the calorimetry and subsequently verified. This exhibited a much more efficient and convenient way to study the reaction kinetics compared with the conventional off-line determination of molar concentration or conversion. An accelerating rate calorimeter was used to reveal the thermal controllability of the reaction system as well as some potential hazards. The thermal and kinetic parameters lay a solid foundation for the design and safe operation of reactors. The related methods are also anticipated to be extended to a wide range of similar highly exothermic reactions.

中文翻译：

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大功率量热仪对高放热缩合反应的热学和动力学研究

从安全的角度来看，过程工业中的热风险分析通常非常重要，并且通常需要量热和动力学建模。这些技术首次应用于高放热缩合反应的研究，该反应用于制备 2,2'-亚甲基双(4,6-ditert )-丁基苯酚）磷酸盐氯化物，精细化工中相当重要的中间体。使用基于稳健过程分析技术的在线反应量热仪 EasyMax 在等温条件下对合成反应的热力学性质（如反应热、绝热温升和比热容）进行了实验研究。基于量热法开发了动力学相关模型并随后进行了验证。与传统的离线测定摩尔浓度或转化率相比，这展示了一种更有效、更方便的反应动力学研究方法。使用加速量热仪来揭示反应体系的热可控性以及一些潜在的危害。热学和动力学参数为反应堆的设计和安全运行奠定了坚实的基础。相关方法也有望扩展到广泛的类似高放热反应。