A SHOCK-TUBE STUDY OF THE HIGH-PRESSURE THERMAL DECOMPOSITION OF BENZENE

The high-temperature, high-pressure pyrolysis of the prototype aromatic, benzene, has been studied behind reflected shock waves in the UIC High Pressure Single Pulse Shock Tube. Three sets of experiments were performed at nominal pressures of 30 and 50 bars in the high temperature regime from 1200-1800 K. Stable species sampled from the shock tube were analyzed offline using gas chromatographic techniques. The present data set was simulated using the three most recent models, two of the models developed and validated against high-temperature benzene pyrolysis shock-tube data for stable species profiles as well as H atom production rates and the third model, a "work-in-progress" model from our laboratory aimed at resolving the high-pressure combustion of primary aromatics such as benzene and toluene. The simulations reflect the complexities and uncertainties involved not only in describing the primary decay steps but also the subsequent high-temperature secondary chemistry for even the simplest aromatic molecule, benzene.