Molecular Dynamics and Experimental Study of Shock Polarization of Nitromethane
Abstract
We present a complete study of shock electrical polarization of a dipolar molecule : the nitromethane. From molecular dynamics simulations, we show that this effect is due to the anisotropy of the nitromethane near the shock front : a partial and very short-lived orientation of molecules along the shock axis propagation is observed. The evolution of the amplitude and time relaxation of the polarization with the shock intensity is extracted from simulations, and theses results can be compared, via an appropriate hydrodynamic description, to specific but very simple experiments. A good agreement is found at the beginning of shock propagation but rapidly the experimental results diverge from the theoretical signals because of chemical reactions.
- Publication:
-
Shock Compression of Condensed Matter
- Pub Date:
- July 2002
- DOI:
- 10.1063/1.1483550
- Bibcode:
- 2002AIPC..620..347S
- Keywords:
-
- Anisotropic Media;
- Anisotropy;
- Molecular Dynamics;
- Organic Compounds;
- Polarization;
- Shock Waves;
- 62.50.+p;
- 81.05.Lg;
- Solid-State Physics;
- High-pressure and shock wave effects in solids and liquids;
- Polymers and plastics;
- rubber;
- synthetic and natural fibers;
- organometallic and organic materials