Transport coefficients and cross sections for electrons in water vapour: comparison of cross section sets using an improved Boltzmann equation solution

J Chem Phys. 2012 Jan 14;136(2):024318. doi: 10.1063/1.3675921.

Abstract

This paper revisits the issues surrounding computation of electron transport properties in water vapour as a function of E/n(0) (the ratio of the applied electric field to the water vapour number density) up to 1200 Td. We solve the Boltzmann equation using an improved version of the code of Ness and Robson [Phys. Rev. A 38, 1446 (1988)], facilitating the calculation of transport coefficients to a considerably higher degree of accuracy. This allows a correspondingly more discriminating test of the various electron-water vapour cross section sets proposed by a number of authors, which has become an important issue as such sets are now being applied to study electron driven processes in atmospheric phenomena [P. Thorn, L. Campbell, and M. Brunger, PMC Physics B 2, 1 (2009)] and in modeling charged particle tracks in matter [A. Munoz, F. Blanco, G. Garcia, P. A. Thorn, M. J. Brunger, J. P. Sullivan, and S. J. Buckman, Int. J. Mass Spectrom. 277, 175 (2008)].

Publication types

  • Comparative Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms*
  • Computer Simulation
  • Electrons*
  • Solutions
  • Volatilization
  • Water / chemistry*

Substances

  • Solutions
  • Water