Jump to main content
Jump to site search

Issue 9, 1987
Previous Article Next Article

Atomic anisotropy and the structure of liquid chlorine

Abstract

An anisotropic atom–atom potential for chlorine that can explain the static properties of both solid and liquid phases is presented. Molecular dynamics simulations with this potential show that the anisotropies in the repulsive interactions introduce significant changes into the behaviour of the liquid, and are especially important in determining the liquid structure factor. Some aspects of the implementation of orientation-dependent pair potentials in molecular dynamics calculations are discussed. In particular, the use of an anisotropic instead of an isotropic atom–atom potential was found to require only a modest increase in computation time.

Back to tab navigation

Article type: Paper
DOI: 10.1039/F29878301689
Citation: J. Chem. Soc., Faraday Trans. 2, 1987,83, 1689-1702
  •   Request permissions

    Atomic anisotropy and the structure of liquid chlorine

    P. M. Rodger, A. J. Stone and D. J. Tildesley, J. Chem. Soc., Faraday Trans. 2, 1987, 83, 1689
    DOI: 10.1039/F29878301689

Search articles by author

Spotlight

Advertisements