02. Gupta, Ram B.; Panayiotou, Constantinos G.; Sanchez, Isaac C.; Johnston, Keith P. Theory of hydrogen bonding in supercritical fluids. AIChE J. (1992), 38(8), 1243-53.

Abstract

The degree of hydrogen bonding and macroscopic thermodn. properties for pure and mixed fluids are predicted with the hydrogen bonding lattice fluid (LFHB) equation of state over a wide range in d. encompassing the gas, liq. and supercrit. states. The model is successful for mols. forming complex self-assocd. networks, in this case pure methanol, ethanol, and water, and the mixt. 1-hexanol-SF6. In supercrit. water, significant hydrogen bonding is still present despite all the thermal energy and is highly pressure- and temp.-dependent. A fundamental description of pressure and temp. effects on hydrogen bonding is presented for a well-defined case, the formation of a complex between a donor and acceptor in an inert solvent, where no self-assocn. is present. The partial molar enthalpy and vol. change on complexation both become pronounced near the crit. point, where the d. is highly variable with temp. and pressure.

Complete paper link

Back to homepage of Prof. Gupta