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Molecular-dynamics simulations of interfaces between water and crystalline urea

✍ Scribed by Boek, E. S.; Briels, W. J.; van Eerden, J.; Feil, D.

Book ID
126804403
Publisher
American Institute of Physics
Year
1992
Tongue
English
Weight
795 KB
Volume
96
Category
Article
ISSN
0021-9606

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The hydration of urea and tetrarnethylurea (TMU) is studied by molecular dynamics simulations. A perturbed structure of the H-bond network is shown in the hydration shell of urea around carbonyl oxygen, and an enhanced mobility of water is found in the region corresponding to the hydration of the ca