Statistical mechanics of hydrated electron recombination in liquid and supercritical water

R. Schiller, Ákos Horváth

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The photochemical yield of hydrated electrons as a function of temperature in liquid and supercritical water is treated in terms of energy fluctuations of the medium. The geminate pair, consisting of a positive ion and a hydrated electron, is regarded as a H-like atom embedded in a completely relaxed dielectric continuum. If the local medium energy is larger than the ionization energy of this atom, the electron escapes its geminate partner. By making use of the classical theory of energy fluctuations, escape probability is described by a simple explicit function, the variable of which is a combination of temperature, relative permittivity, and specific heat. First our earlier calculations on the recombination of solvated electrons, produced by ionizing radiation in a number of polar liquids, are improved and then the theory is compared with the experimental results on temperature dependent electron survival by Kratz [S. Kratz, J. Torres-Alcan, J. Urbanek, J. Lindner, and P. Vhringer, Phys. Chem. Chem. Phys. 12, 12169 (2010)]10.1039/c0cp00762e. Two adjustable parameters are needed to achieve reasonable quantitative agreement.

Original languageEnglish
Article number084510
JournalThe Journal of Chemical Physics
Volume135
Issue number8
DOIs
Publication statusPublished - Aug 28 2011

Fingerprint

electron recombination
Statistical mechanics
statistical mechanics
Electrons
Water
Liquids
liquids
water
electrons
escape
Atoms
energy
Ionization potential
Ionizing radiation
positive ions
ionizing radiation
Temperature
Specific heat
temperature
atoms

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Statistical mechanics of hydrated electron recombination in liquid and supercritical water. / Schiller, R.; Horváth, Ákos.

In: The Journal of Chemical Physics, Vol. 135, No. 8, 084510, 28.08.2011.

Research output: Contribution to journalArticle

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