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 TITLE: Lattice Models for Phase Transitions in Molecular Systems

 AUTHORS: Dale A. Huckaby

   Department of Chemistry, Texas Christian University,
   Fort Worth, TX 76129, USA

 

 

ABSTRACT:

 In order to study some interesting types of phase transitions in molecular systems, we have introduced and studied several microscopic statistical mechanical lattice models for systems that contain molecules with realistic shapes and orientation-dependent intermolecular interactions. The methods employed include cluster methods, the rigorous Pirogov-Sinai theory, and exact solutions. The models to be discussed include a model for phase transitions in small noble gas crystals, a model for orientational ordering in liquid carbon tetrachloride, a model for cubic and hexagonal ice phases and for the ice VII – ice VIII transition, models for phase separation of molecular mirror images (enantiomers), an exactly-solvable three-component system containing water, oil, and an amphiphile, a model for an ordered phase of guanidinium nitrate at the mercury – water interface, and a model for underpotential deposition of a metal on a crystalline electrode. Included in the discussion of the last model will be recent results on the effects of finite electrode crystal sizes on the shapes of experimental spikes in the electrode current that are associated with phase transitions at the liquid – crystal interface.

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