Sugar, water and free volume networks in concentrated sucrose solutions Academic Article

abstract

• We used molecular dynamics simulations to determine the sucrose hydrogen bond network (HBN) in amorphous sucrose with 0-50% w/w water. We find that the onset of a percolated sugar HBN network (between 33% and 40%) coincides with the experimental observation of the decoupling of viscosity and probe diffusion for these mixtures. The analysis of the free volume (FV) in these mixtures shows a non-monotonic behavior with water content which is consistent with experimental observations of hydrogen bond compaction and negative apparent partial volume of dilution, but in disagreement with the FV theory model of plasticization by water. 2003 Published by Elsevier B.V.

authors

• Cagin, Tahir

published proceedings

• Chemical Physics Letters

author list (cited authors)

• Molinero, V., an, T., & Goddard, W. A.

citation count

• 71

complete list of authors

• Molinero, Valeria||Çaǧın, Tahir||Goddard, William A

publication date

• August 2003

publisher

• Elsevier  Publisher

published in

• CHEMICAL PHYSICS LETTERS  Journal

keywords

• Prevention

Digital Object Identifier (DOI)

• 10.1016/s0009-2614(03)01170-9

start page

• 469

end page

• 474

volume

• 377

issue

• 3-4

URL

• http%3A%2F%2Fdx.doi.org%2F10.1016%2Fs0009-2614%2803%2901170-9