Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 132, Issue 13, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3328875
Keywords
lattice gas; Monte Carlo methods; phase transformations; thermodynamics
Funding
- NIGMS NIH HHS [T32 GM007753] Funding Source: Medline
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We investigate the thermodynamic and dynamic properties of a three dimensional associating lattice gas (ALG) model through Monte Carlo simulations. The ALG model combines a soft core potential and orientational degrees of freedom. The competition of directional attractive forces and the soft core potential results in two coexisting liquid phases which are also connected through order-disorder critical transitions. The model presents structural order, density, and diffusion anomalies. Our study suggests that the dynamic fragile-to-strong transitions are associated to changes in structural order.
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