A lattice model for the study of mixtures of associating liquids is proposed.
Solvent and solute are modeled by adapting the associating lattice gas (ALG)
model. The nature of interaction solute/solvent is controlled by tuning the
energy interactions between the patches of ALG model. We have studied three set
of parameters, resulting on, hydrophilic, inert and hydrophobic interactions.
Extensive Monte Carlo simulations were carried out and the behavior of pure
components and the excess properties of the mixtures have been studied. The
pure components: water (solvent) and solute, have quite similar phase diagrams,
presenting: gas, low density liquid, and high density liquid phases. In the
case of solute, the regions of coexistence are substantially reduced when
compared with both the water and the standard ALG models. A numerical procedure
has been developed in order to attain series of results at constant pressure
from simulations of the lattice gas model in the grand canonical ensemble. The
excess properties of the mixtures: volume and enthalpy as the function of the
solute fraction have been studied for different interaction parameters of the
model. Our model is able to reproduce qualitatively well the excess volume and
enthalpy for different aqueous solutions. For the hydrophilic case, we show
that the model is able to reproduce the excess volume and enthalpy of mixtures
of small alcohols and amines. The inert case reproduces the behavior of large
alcohols such as, propanol, butanol and pentanol. For last case (hydrophobic),
the excess properties reproduce the behavior of ionic liquids in aqueous
solution.Comment: 28 pages, 13 figure
