The development of kinetic models for phosgene synthesis over heterogeneous catalysts

光气是一种重要的中间体，用于聚氨酯、聚碳酸酯、制药和农用化学品的工业生产。它通常是通过一氧化碳和氯在活性炭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，将利用化学学院化学过程基础实验室的一个独特实验设施，该实验室旨在处理与光气生产相关的危险试剂[1-3]。该工作计划的一个主要推力包括确定一系列高表面积碳基催化剂上光气合成的动力学模型。产品和试剂分析将使用红外光谱、紫外可见光谱和质谱相结合的方法进行。将在各种反应条件下监测产物选择性，以便确定特定催化剂配方的最佳操作安排。该项目的第二个目标是开发一系列表征参数，用于定义碳催化剂的表面结构和表面化学性质。这将包括使用非弹性中子散射测量，这将在位于卢瑟福阿普尔顿实验室[5]的ISIS设施中进行。学生将被期望偶尔花时间在ISIS设施（每年约10天）。总的来说，该项目将为学生在工业相关的多相催化反应系统的发展提供良好的基础，以及在现代催化剂表征技术方面的经验。

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.