Numerical Simulation of the Flow Field in a Tubular Thermal Cracking Reactor for Water Vapor and Difluoromonochloromethane

Tetrafluoroethylene (TFE), as a key basic chemical raw material, has an irreplaceable position in strategic emerging industries involving high-end materials, electronics, chemicals, and pharmaceuticals. Currently, TFE is industrially produced via the vapor cracking of difluoromonochloromethane (R22). However, there is a gap between China and the developed countries in the high-end tetrafluoroethylene monomer, the purity of tetrafluoroethylene monomer is difficult to reach the high purity requirement of 99.999%, and the content of the key impurities that determine the nature of the functional materials is high, which leads to a series of problems of instability in the performance of the high-end and special products and high media loss. To enhance the purity of TFE monomers produced by the pyrolysis reactor of R22 and water vapor, the fluid dynamics simulations of the reactor model were conducted using Ansys Fluent. The reactor model was initially constructed using Space Claim, followed by mesh generation with Fluent Meshing and other relevant configurations. Both cold-state and thermal-state simulations were performed. The cold-state simulation analyzed the effects of temperature, flow velocity, and turbulence models on the turbulent gas flow and mixing processes within the reactor model. The thermal-state simulation examined the impacts of reaction process variations on internal temperature, turbulence, component distribution, and outlet component concentrations during the actual reaction process. Finally, the inlet flow rate and structure of the reactor were optimized. The results indicated that the optimal inlet flow rates for R22 and water vapor were 0.2–0.3 kg/s and 0.4–0.5 kg/s, respectively. In practical production, the internal fluid mixing achieved an optimal value after modifying the inlet structure to a T shape. This study provides new insights into the pyrolysis reaction and lays the foundation for further improving the purity of TFE monomers.