Physics and Chemistry of Minerals

, Volume 21, Issue 4, pp 213–221 | Cite as

Theoretical study of the electrostatic potential of an idealized semi-infinite crystal of talc and vibrational frequencies of an adsorbed proton

  • Ladislav Turi Nagy
  • Daniel Tunega
Article
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Abstract

The electrostatic potential above a surface of a semi-infinite crystal of talc Mg3Si4O10(OH)2 in the idealized structure (layer group symmetry C2/m) was computed using the electron distribution obtained by a semiempirical INDO/2 calculation of the electron structure of one idealized layer. The potential of the semi-infinite crystal was obtained as the sum of contributions from an infinite number of individual layers. The adsorption enthalpy and the vibrational frequencies of a proton hypothetically adsorbed in vacuo were also computed.

Keywords

Enthalpy Mineral Resource Group Symmetry Material Processing Talc 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Copyright information

© Springer-Verlag 1994

Authors and Affiliations

  • Ladislav Turi Nagy
    • 1
  • Daniel Tunega
    • 2
  1. 1.Institute of Inorganic Chemistry, Slovak Academy of SciencesBratislavaSlovakia
  2. 2.Department of Physical Chemistry, Faculty of Chemical TechnologySlovak Technical UniversityBratislavaSlovakia

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