title: Water in a Soft Confinement: Structure of Water in Amorphous Sorbitol.
abstract: The structure of water in 70 wt % sorbitol-30 wt % water mixture is investigated by wide-angle neutron scattering (WANS) as a function of temperature. WANS data are analyzed using empirical potential structure refinement to obtain the site-site radial distribution functions (RDFs). Orientational structure of water is represented using OW-OW-OW triangles distributions and a tetrahedrality parameter, q, while water-water correlation function is used to estimate size of water clusters. Water structure in the sorbitol matrix is compared with that of water confined in nanopores of MCM41. The results indicate the existence of voids in the sorbitol matrix with the length scale of approximately 5 Å, which are filled by water. At 298 K, positional water structure in these voids is similar to that of water in MCM41, whereas there is a difference in the tetrahedral (orientational) arrangement. Cooling to 213 K strengthens tetrahedrality, with the orientational order of water in sorbitol becoming similar to that of confined water in MCM41 at 210 K, whereas further cooling to 100 K does not introduce any additional changes in the tetrahedrality. The results obtained allow us to propose, for the first time, that such confinement of water in a sorbitol matrix is the main reason for the lack of ice formation in this system.
authors.affiliation: Allergan Plc, Irvine, California 92612, United States.
authors.forename: Evgenyi
authors.initials: E
authors.lastname: Shalaev
authors.affiliation: ISIS Facility, STFC Rutherford Appleton Laboratory , Harwell Campus, Didcot, Oxon OX11 OQX, United Kingdom.
authors.forename: Alan K
authors.initials: AK
authors.lastname: Soper