title: Microscopic structure of water in a water/oil emulsion.
abstract: We have determined the microscopic structure of water within a water/oil emulsion, by combining neutron diffraction data, exploiting the isotopic H/D substitution, and a fully atomistic Monte Carlo simulation of a portion of a water droplet, containing the water/oil interface. The dependence of the data on the simulation box size and the reliability of the water-water radial distribution functions are discussed. Although water in the emulsion forms shorter and stronger hydrogen bonds compared to pure bulk water, its overall microscopic structure looks more disordered.
authors.affiliation: Dipartimento di Scienze, Università degli Studi Roma Tre, Via della Vasca Navale 84, 00146 Roma, Italy.
authors.forename: R
authors.initials: R
authors.lastname: Mancinelli
authors.forename: F
authors.initials: F
authors.lastname: Bruni
authors.forename: M A
authors.initials: MA
authors.lastname: Ricci
authors.forename: S
authors.initials: S
authors.lastname: Imberti
mesh_terms: D004655:Emulsions / Q000737:chemistry; D006860:Hydrogen Bonding; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D009010:Monte Carlo Method; D033363:Neutron Diffraction; D009821:Oils / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D004655:Emulsions; D009821:Oils; D014867:Water