Square water as a solvent: Monte Carlo simulations

Amphiphilic aggregation in hydrogen bonding liquids: Dynamic and equilibrium properties

“…This was also shown to be a general trend for amphiphilic lattice models where solvent molecules have no structure [28]. Although our solvent molecules have internal degrees of freedom, no minimum in CMC (which is seen for SDS surfactants in water) was observed, in accordance with the results for apolar solutes in the square water [17], where the solubility always increases with temperature. Note, however, the smaller slope for the case of the stronger hydrogen bonding solvent E HB = À10e.…”

“…For E HB = À10e, the behaviour of n HB in bulk water accompanies that of pure solvent (dotted line), while in the first hydration shell, the HBs are even more stable as the temperature rises. A similar result was obtained for the Hbond structure in a solution of hydrophobic 1-site molecules in the square water [17]. Note that the maximum number of HBs for bulk water (E HB = À10e in Fig.…”

“…One attempt to evaluate the effects of the directional HB interaction on the aggregation of small hydrophobic solutes on a two-dimensional lattice was performed by Guisoni and Henriques [17]. In their work, the water molecules are described by the thermal ice (or square water) model [18,19].…”

Liquid polyamorphism and double criticality in a lattice gas model

“…3), with η and τ defined as in the previous section. This representation is inspired on the Bethe solution for a generalization of the square water model [38,46] presented by Izmailian et al [45]. For an occupied site-hexagon, we will have two vertices with (η, τ ) = (1, 1), two with (η, τ ) = (1, −1) and another two with (η, τ ) = (1, 0).…”

“…A different approach is to represent hydrogen bonds through ice variables [35][36][37] [38], so successful in the description of ice [39] entropy, for dense systems. In this case, an orderdisorder transition is absent.…”