We employ quantum molecular dynamic simulations to investigate the behavior
of benzene under shock conditions. The principal Hugoniot derived from the
equation of state is determined. We compare our firs-principles results with
available experimental data and provide predictions of chemical reactions for
shocked benzene. The decomposition of benzene is found under the pressure of 11
GPa. The nonmetal-metal transition, which is associated with the rapid C-H bond
breaking and the formation of atomic and molecular hydrogen, occurs under the
pressure around 50 GPa. Additionally, optical properties are also studied.Comment: 12 pages, 5 figure
