Supercritical fluid phase separations induced by chemical reactions

摘要

Statistical mechanical studies predict that a chemically reactive system containing species composed of C, H, N, O atoms can exhibit a phase separation into a N_2-rich and a N_2-poor phase. The present work is concerned with the effect of the fluid phase separation upon addition of F atoms to the system. Our study shows that F atoms mainly appear as a constituent of HF in a N_2-poor fluid phase up to a certain pressure beyond which they occur as CF_4 in a N_2-rich phase and that the phase separation may be abrupt in a thermodynamic sense. The pressure at the phase boundary can occur at about 30 GPa at 3000 K and about 10 GPa to 20 GPa at 1000 technique. We discuss implications of this study to detonation physics.