Journal
CARBOHYDRATE POLYMERS
Volume 166, Issue -, Pages 256-263Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.carbpol.2017.03.001
Keywords
Molecular dynamics simulation; Hydrogen bonding energy; Glycerol; Starch; Plasticized mechanism
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Funding
- China Scholarship Council (CSC)
- Natural Science Foundation of Hebei Province [B2012210004]
- Key Laboratory of Nonpoint Source Pollution Control, Ministry of Agriculture, Beijing [2014-37]
- NSF China [51379077]
- NSERC Canada
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The molecular dynamics (MD) simulation method was used to investigate the hydrogen bonding energy of starch/glycerol system under different temperatures (range from 90 degrees C to 120 degrees C) and different glycerol contents (range from 20% to 40%, based on dry starch weight), These effects on the hydrogen bonding energy (including the total hydrogen bonding energy, hydrogen bonding energy of starch/starch, glycerol/glycerol, and starch/glycerol) were analyzed in detail. Meanwhile, glycerol plasticized starch films were prepared using casting method. The relationship between the hydrogen bonding energy and the performances of thermoplastic starch film (TPSF), such as crystallinity, mechanical properties and water uptake determined experimentally, were revealed and discussed. The results indicated that glycerol/starch film contained strong hydrogen bonding interaction which could be increased by decreasing the temperature or increasing the glycerol content. The hydrogen bonding interaction is the key factor for the preparation of the plasticized starch material, and the plasticized mechanism can be interpreted according to the analytical results of the simulation. (C) 2017 Elsevier Ltd. All rights reserved.
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