Supercritical fluid phase separations induced by chemical reactions

摘要

Our 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 N2-rich and a N2-poor phase. This paper is concerned with the effect of the fluid phase separation upon addition of F atoms in the system. Our study shows that F atoms mainly appear as a constituent of HF in a N2-poor fluid phase up to a certain pressure beyond which they occur as CF4 in a N2-rich phase and that the phase separation may be abrupt in 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 K. Some of these ranges maybe accessible by present-day experimental high-pressure techniques. We discuss implications of this study to detonation physics.