Structure and phase transitions of alkyl chains on mica.

@article{Heinz2003StructureAP,
  title={Structure and phase transitions of alkyl chains on mica.},
  author={Hendrik Heinz and Hein J Castelijns and Ulrich Suter},
  journal={Journal of the American Chemical Society},
  year={2003},
  volume={125 31},
  pages={
          9500-10
        }
}
We use molecular dynamics as a tool to understand the structure and phase transitions [Osman, M. A.; et al. J. Phys. Chem. B 2000, 104, 4433-4439. Osman, M. A.; et al. J. Phys. Chem. B 2002, 106, 653-662] in alkylammonium micas. The consistent force field 91 is extended for accurate simulation of mica and related minerals. We investigate mica sheets with 12 octadecyltrimethylammonium (C(18)) ions or 12 dioctadecyldimethylammonium (2C(18)) ions, respectively, as single and layered structures at… CONTINUE READING

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