Analytical approaches based on mean-field models of the work of aggregation have been successful in thermodynamic and kinetic description of micellization in surfactant
solutions. Nevertheless a verification of these theoretical models by means of computer simulations may help to improve them and provide links between the theory and experiment.
An implicit solvent model is taken to investigate thermodynamic, e.g. an aggregation work, and structural properties of surfactant solutions using Monte Carlo method. A number of hard core molecular chains possessing charged and neutral monomers and a number of free counterions are placed to the dielectric continuum medium and represent an ionic surfactant solution. In the case of nonionic surfactant, two monomers of a chain carry positive and negative charges and make a dipole that represents a head of an amphiphilic molecule. The uncharged monomers of the chain form the hydrophobic tail and interact with each other via an effective short range potential. A special at