Square water as a solvent: Monte Carlo simulations
AUTOR(ES)
Guisoni, Nara, Henriques, Vera Bohomoletz
FONTE
Brazilian Journal of Physics
DATA DE PUBLICAÇÃO
2000-12
RESUMO
Square water takes into account the directionality of hydrogen bonds. The model is reviewed and its properties as a solvent for apolar particles are studied through Monte Carlo simulations. Specific heat measurements are used to identify phase separation. Data for comparison with the lattice gas on the square lattice are presented and the relation to non-associating solvents is discussed. Data for the frequency of hydrogen bonds as a function of temperature indicate a slower rate of bond breaking for the hydration shell as compared to bulk water particles.
Documentos Relacionados
- Monte Carlo simulations of antiferromagnetic small particles
- Monte Carlo simulations of ultrathin magnetic dots
- A new approach to Monte Carlo simulations in statistical physics
- Introduction to quantum Monte Carlo simulations for fermionic systems
- Monte Carlo simulations of a semi-flexible polymer chain: a first glance