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Solvation Behaviors of N -Isopropylacrylamide in Water/Methanol Mixtures Revealed by Molecular Dynamics Simulations

✍ Scribed by Pang, Juan; Yang, Hu; Ma, Jing; Cheng, Rongshi


Book ID
125807865
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
424 KB
Volume
114
Category
Article
ISSN
0022-3654

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Molecular dynamics simulations have been performed for 8 methanol-water solutions using rigid and flexible potential models. The heat capacity, the radial distribution fbnctions and potential mean force obtained by MD simulations were compared to previous simuhuions and experimental results. Special