Towards synthesis of an optimal thermal cracking reactor

To develop new reactor options for thermal cracking of ethane or other light hydrocarbons to lower olefins a fundamental process synthesis approach is taken. Firstly, an optimal reaction path and conditions are targeted, starting from a mechanistic reaction network. Secondly, to implement the optimal reaction path the reactor geometry and equipment are designed. This contribution focuses on the development of a targeting approach, for which a new distributive reaction-mixing synthesis model is formulated and applied. The mixing kernel in the model provides freedom to redistribute the reaction mixture along a continuous reaction coordinate to optimize product yield. The model was validated for two applications. It reproduces the results for the Van de Vusse reaction network as obtained by the attainable region theory. When applied to a small reaction network for the conversion of ethane into ethylene, it reconfirms the existing result that for this network the plug flow mode at maximum temperature and minimum pressure gives the optimal olefin yield.