The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Molecular Dynamics Study of Polymer−Water Interaction in Hydrogels. 2. Hydrogen-Bond Dynamics
Abstract
Molecular dynamics simulations have been performed for hydrogel models of poly(vinyl alcohol) (PVA), poly(vinyl methyl ether) (PVME), and poly( N -isopropylacrylamide) (PNiPAM). The dynamics of hydrogen bonds and the translational and rotational motions of water molecules in the vicinity of the polymer segments are analyzed to investigate the properties of water molecules which are highly cooperative with the surrounding polymer chains. The characters of the hydrophilic groups which are reflected in the lifetime of hydrogen bonds, the spectral density, etc., are examined. The mobility of water molecules is significantly lowered around polymer chains for both translational and rotational motions. This is partly because of the hydrogen bonds between water and polymers around the hydrophilic groups and partly because of the structuralization of water around the hydrophobic groups.
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Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Cited by
Maeda, Y., Nakamura, T., & Ikeda, I. (2001) · Macromolecules · doi:10.1021/ma001306t · Cited by 253
Metadata
- Authors
- Tamai, Y., Tanaka, H., & Nakanishi, K.
- Venue
- Macromolecules
- Publisher
- American Chemical Society (ACS)
- Published
- 1996-01-01
- Volume
- 29
- Issue
- 21
- Pages
- 6761-6769
- ISSN
- 0024-9297 (ISSN-L)
- 1520-5835
- OpenAlex
- W2023090155
- Cited by
- 171
- References
- 1
- FWCI
- 3.29
- Type
- journal article
- Language
- en
- Open access
- closed
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- Tamai, Y., Tanaka, H., & Nakanishi, K. (1996). Molecular Dynamics Study of Polymer−Water Interaction in Hydrogels. 2. Hydrogen-Bond Dynamics. Macromolecules. https://doi.org/10.1021/ma960961r
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