In situ time-resolved Raman spectroscopy of nitromethane under static and dynamic compression

Energetic materials are extensively used as propellants in rockets demanding the understanding of their chemical and thermal stability for safe storage and transportation as well as ease of decomposition. Nitromethane (NM) is one such material with significant performance advantage over other mono propellants. In this manuscript, we report the detailed molecular-level behavior of NM under static and dynamic compression. Dynamic compression experiments were performed up to similar to 6.4 GPa using a 2 J/8 ns Nd: YAG laser coupled with time-resolved Raman spectroscopy (TRRS) setup. Static compression experiments were performed up to similar to 20 GPa using a diamond anvil cell. During laser-driven shock compression, NM undergoes three phase transitions at 1.1, 2.5, and 3.4 GPa. However, in the case of static compression, the corresponding phase transitions were observed at 0.3, 1.3-1.8, and 2.5 GPa. TRRS was also performed at 300 mJ (1.47 GW/cm(2)), 500 mJ (2.45 GW/cm(2)), and 800 mJ (3.9 GW/cm(2)) and intensity ratios of shocked and un-shocked Raman peaks were utilized to experimentally calculate the shock velocities, which were determined to be 2.66 +/- 0.09, 3.58 +/- 0.40, and 3.83 +/- 0.60 km/s, respectively. These experimental results were corroborated with the one-dimensional (1D) radiation hydrodynamics simulations, performed to obtain shock pressure. The shock velocities at these laser intensities were calculated to be 2.98, 3.69, and 3.92 km/s, respectively, which are in reasonably close agreement with our observed results.

Automated summary

This study investigates the molecular-level behavior of nitromethane (NM) under static and dynamic compression and reveals multiple phase transitions and shock velocities at different pressures through experiments and simulations.