Structure and Properties of Supercritical Water: Experimental and Theoretical Characterizations

Abstract

Water in the supercritical region of the phase diagram exhibits a markedly different structure and properties from that at ambient conditions, which is useful in controlling chemical reactions. Nonetheless, the experimental, as well as theoretical, characterization of the substance is not easy because the region is next to the critical point. This article reviews the experimental as well as theoretical studies on water in the supercritical region and its properties as a solvent for chemical reactions, as carried out by the authors and based on small-angle X-ray scattering and the statistical mechanics theory of molecular liquids, also known as reference interaction-site model (RISM) theory.

Keywords

• supercritical water
• RISM theory
• SAXS
• density fluctuation
• autoionization
• Diels–Alder reaction