Reduced order modeling and large-scale validation for non-catalytic partial oxidation of natural gas

A reduced order model (ROM) for the non-catalytic partial oxidation (POX) of natural gas was developed and validated against large-scale numerical and experimental results. The ROM utilizes a network of perfectly stirred reactors, each describing a distinctive reactor zone and corresponding conversion processes. The zone definition is based on the CFD calculation of reactive flow, resulting in a compact, physics-based model that is valid for a broad range of POX reactors. The ROM is capable of predicting global reactor characteristics and flow field pattern within a short period of time, enabling the optimization of reactor geometry and the boundary and operating conditions. Additionally, the ROM can be used to evaluate detailed chemical reactions mechanisms. The ROM is validated against semi-industrial process data, and used to analyze the influence of each reactor zone on the overall species conversion. A new correlation between the fuel slip from the burner to the downstream reactor zones, the steam injection, and the k value is built.