Frenkel line and solubility maximum in supercritical fluids

Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Jan;91(1):012112. doi: 10.1103/PhysRevE.91.012112. Epub 2015 Jan 8.

Abstract

A new dynamic line, the Frenkel line, has recently been proposed to separate the supercritical state into rigid-liquid and nonrigid gaslike fluid. The location of the Frenkel line on the phase diagram is unknown for real fluids. Here we map the Frenkel line for three important systems: CO(2), H(2)O, and CH(4). This provides an important demarcation on the phase diagram of these systems, the demarcation that separates two distinct physical states with liquidlike and gaslike properties. We find that the Frenkel line can have a similar trend as the melting line above the critical pressure. Moreover, we discuss the relationship between unexplained solubility maxima and Frenkel line, and we propose that the Frenkel line corresponds to the optimal conditions for solubility.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbon Dioxide / chemistry*
  • Methane / chemistry*
  • Molecular Dynamics Simulation
  • Phase Transition*
  • Pressure
  • Solubility
  • Temperature
  • Water / chemistry*

Substances

  • Water
  • Carbon Dioxide
  • Methane