Parametrical investigation for the optimization of spherical jet-stirred reactors design using large eddy simulations

Due to the importance of gas-phase chemical reaction kinetics in low-emission combustion, stirred tank reactors have been used for decades as an experimental tool to study high- and low-temperature oxidation. A Jet-Stirred Reactor (JSR) setup is valuable to determine the evolution of species mole fractions. For the accuracy of the experimental results, it is important that a JSR is designed such that the concentration field is as homogeneous as possible in order to avoid disturbance of the chemical kinetics. In this work, numerical simulations were performed to investigate the mixing in a JSR chamber. The turbulent structures inside the JSR and the nozzles are captured using Large Eddy Simulations. We conducted numerically a parametric study to evaluate the effects of thermodynamic conditions and geometrical parameters on the mixing characteristics. More specifically, the diameter of the spherical chamber is modified together with the diameter of the nozzles through which fresh gases are fed. The characterization of the gas flow inside a typical spherical JSR layout and results derived by the normalized standard deviation of a tracer mass fraction show that a reduction of the JSR diameter at high pressures improves the homogeneity. Further, we propose a new optimized configuration consisting of six nozzles pointing to the center of the reactor which provides a more uniform composition compared to the standard JSR design.