Polycyclic Aromatic Hydrocarbon (PAH) formation in thermal degradation of Styrene Butadiene Copolymer (SBR)

摘要

This study has been initiated to quantify the release of the Polycyclic Aromatic Hydrocarbon (PAH) species from Styrene Butadiene Copolymer (SBR) during gasification. The identification and quantification has been determined experimentally using Gas Chromatography/Mass Spectroscopy (GC/MS) coupled to a Thermo-Gravimetric Analysis (TGA) unit. SBR samples were pyrolysed in a TGA unit in a N_2 atmosphere. The identities and absolute concentrations of over 32 major and minor species have been established, including a large number of aromatics, substituted aromatics, and PAHs. The light hydrocarbon species also have been determined simultaneously and identified as H_2, C_2H_2, CH_4, C_2H_6, and C_4H_(10) with lower concentrations of other hydrocarbon gases. Significant amounts of ethyl benzene, toluene, and styrene were observed between 330℃ and 500℃. The largest PAH detected was the family of C_(24)H_(14) (molecular weight 302), benzo[ghi]perylene with peak concentrations reaching 0.19 ppmv. The effluent species detected suggest that formation of PAH's occurs either through hydrocarbon addition reactions or benzene ring re-combination reactions. In addition, the chemical structure of SBR lends itself gas phase release of benzene molecules or radicals, thus facilitating the PAH production route. Preliminary calculations done using MOPAC provided some insight into the energy required to break the benzene ligand bond from the butadiene structure. The measurements supply information on the identities and levels of hazardous air pollutants, and provide useful new data for the development and validation of detailed reaction mechanisms describing their origin and fate.