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Impact of hydrogen bonding on inclusion layer of urea to cellulose: Study of molecular dynamics simulation

✍ Scribed by Lu Cai; Yuan Liu; Haojun Liang


Book ID
113857639
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
630 KB
Volume
53
Category
Article
ISSN
0032-3861

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A series of molecular dynamics (MD) simulations have been carried out to study hydrogen bonding in aqueous ionic solutions at ambient conditions. Alkali metal and halides with different sizes have been considered. A separate study of the hydrogen bond (HB) populations in the first and second hydrati