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
Original languageEnglish
Pages311
StatePublished - 2014
EventThe 9th Liquid Matter Conference "Liquids 2014" - Lisbon, Portugal
Duration: 21 Jul 201425 Jul 2014
https://ciencias.ulisboa.pt/en/conferencia/liquids-2014

Conference

ConferenceThe 9th Liquid Matter Conference "Liquids 2014"
Country/TerritoryPortugal
CityLisbon
Period21/07/1425/07/14
Internet address

    Scopus subject areas

  • Physics and Astronomy(all)

ID: 6816153