Monte Carlo simulation of surfactant adsorption on hydrophilic surfaces.

摘要: Monte Carlo simulations have been carried out to study the adsorption behavior of small flexible amphiphilic molecules on solid surfaces from aqueous solutions. A simple coarse-grained solvent-free off-lattice model, with a square-well pair potential and hard core excluded volume effect, has used. Adsorption isotherms for weakly strongly hydrophilic homogeneous determined. The adsorbed layer displays coexistence region an upper critical point. Below temperature densely packed patch coexists two-dimensional gas-analogous phase. Above temperature, percolating network forms at higher surfactant concentrations. Depending ratio between strength hydrophobic effect energy, large variety associates observed. Monolayers, bilayers, admicelles, clusters, networks as typical associate structures found. In four-region which is extended by region, characteristic structure each can be detected. Intermediate types produced variation energy.