Rarefied reactive gas flow in T-shape microreactors

Abstract

The present study investigates the reactive gas flows in T-shape microreactors by means of a 3D direct simulation Monte-Carlo method (DSMC). The reactive process is modeled by incorporating a single step irreversible exothermic reaction of gas species A and B. The energy released in each reaction is added to the system by increasing the kinetic energy of the product gas specie C. The reactive collisions are modeled by means of a momentum preserving hard sphere collision model in 3D DSMC. We analyzed several process and gas parameters to observe their extent of influence on the characteristics of the reactive flow. The T-microreactor with thermal walls showed much higher mass carrying capacity as compared to the specular walls. The reaction front, which initially for maximum reaction rate was close to the inlet of gas specie of higher mass density, moved towards the center of the inlet part of the T-channel and eventually dissolved with decreasing reaction rates. This transition was smooth in the T-channel with thermal walls, whereas, quite abrupt in case of specular walls. Moreover, in T-microreactors with thermal walls, the amount of A and B converted to C follows an exponential decrease especially in moderate to low reaction rates. Further, with a clear separation between high and low reactive regimes, a piece-wise exponential decay in concentration of C with respect to decreasing reaction rates was also observed in the T-channel with specular walls.