"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."
Mancinelli, R., Bruni, F., Ricci, M.A., Imberti, S. (2013). Microscopic structure of water in a water/oil emulsion. THE JOURNAL OF CHEMICAL PHYSICS, 138, 204503 [10.1063/1.4807601].
Microscopic structure of water in a water/oil emulsion
BRUNI, Fabio;RICCI, Maria Antonietta;
2013-01-01
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."I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
