The development of kinetic models for phosgene synthesis over heterogeneous catalysts

光气是工业生产聚氨酯、聚碳酸酯、医药和农用化学品的重要中间体。它通常是通过一氧化碳和氯气在活性碳催化剂上的气相反应在工业上制造的。该项目将于2020年10月开始，将利用位于化学学院化学过程基础实验室的一个独特的实验设施，该实验室旨在处理与光气生产有关的危险试剂[1-3]。工作计划的主要内容包括确定在一系列高比表面积碳基催化剂上合成光气的动力学模型。产品和试剂分析将使用红外光谱、紫外-可见光谱和质谱分析的组合进行。将在各种反应条件下监测产品选择性，以确定特定催化剂配方的最佳操作安排。该项目的次要目标将是开发一系列表征参数，这些参数可用于确定碳催化剂的表面结构和表面化学。这将包括使用非弹性中子散射测量[4]，这将在位于卢瑟福·阿普尔顿实验室的ISIS设施中进行[5]。学生将被期望偶尔花时间在ISIS设施(大约每年10天)。总体而言，该项目将为学生提供开发与工业相关的多相催化反应系统的良好基础，以及现代催化剂表征技术的经验。

Phosgene is an important intermediate used in the industrial manufacture of polyurethanes, polycarbonates, pharmaceuticals and agrochemicals. It is typically manufactured industrially via the gas phase reaction between carbon monoxide and chlorine over an activated carbon catalyst. The project, commencing in October 2020, will utilise a unique experimental facility that is housed in the School of Chemistry's Chemical Process Fundamentals Laboratory, which is designed to handle the hazardous reagents associated with the production of phosgene [1-3]. A major thrust of the workplan involves determining kinetic models for the synthesis of phosgene over a series of high surface area carbon-based catalysts. Product and reagent analysis will be undertaken using a combination of infrared spectroscopy, UV-visible spectroscopy and mass spectrometry. Product selectivity will be monitored under a variety of reaction conditions in order to determine optimum operating arrangements for particular catalyst formulations. A secondary goal of the project will be to develop a series of characterisation parameters that can be used to define the surface structure and surface chemistry of the carbon catalysts. This will include the use of inelastic neutron scattering measurements [4], which will be undertaken at the ISIS Facility that is located at the Rutherford Appleton Laboratory [5]. The student will be expected to occasionally spend time at the ISIS Facility (ca. 10 days per year). Collectively, the project will provide the student with a sound grounding in the development of industrially relevant heterogeneously catalysed reaction systems, as well as experience in modern catalyst characterisation techniques.