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第 7 期 李艺晨，等: TPU/Leu 可剥离膜的防腐性能及分子动力学模拟 ·1475·

3 结论
dynamics simulation of the corrosion inhibition behavior of aromatic
（1）制备了 TPU/Leu-1 以及增容改性的 TPU/Leu-2、 amine on iron[J]. Computers and Applied Chemistry (计算机与应用
化学), 2013, 30(7): 797-800.
TPU/Leu-3 可剥离膜，并对其进行表征和测试。结
[10] Saha S, Bhowmick A K. Computer simulation of thermoplastic
果表明，改性后可剥离膜的界面相容性有所改善，其 elastomers from rubber-plastic blends and comparison with
中 KH-560 的增容效果更为显著。借助 MD 方法验证 experiments[J]. Polymer, 2016, 103: 233-242.
KH-560、E44 的引入对 TPU/Leu 可剥离膜相容性的 [11] Lan Y, Li D, Yang R, et al. Computer simulation study on the
compatibility of cyclotriphosphazene containing aminopropylsilicone
影响，结果表明，KH-560 及 E44 均对 TPU/Leu 可剥
functional group in flame retarded polypropylene/ammonium
离膜具有显著的增容效果，TPU、Leu 与 KH-560 及 polyphosphate composites[J]. Composites Science and Technology,
E44 之间的作用力主要包括氢键作用和静电吸附。 2013, 88: 9-15.
（2）电化学测试和耐盐水加速实验结果表明， [12] Kgagodi O W, Mbaiwa F. Molecular dynamics study of 2,2-
difurylmethane and n-propanol binary mixture[J]. Journal of
与 TPU/Leu-1 相比，TPU/Leu-2 及 TPU/Leu-3 在质
Molecular Liquids, 2016, 227: 366-372.
量分数 3.5%的 NaCl 溶液中耐腐蚀性更佳，增容剂 [13] Fu Y, Liao L, Lan Y, et al. Molecular dynamics and mesoscopic
的引入有效提高了可剥离膜的防腐性能。 dynamics simulations for prediction of miscibility in polypropylene/
（3）MD 模拟扩散结果表明，TPU/Leu-2 及 TPU/ polyamide-11 blends[J]. Journal of Molecular Structure, 2012,
1012(10): 113-118.
Leu-3 可剥离膜能更有效地阻碍腐蚀粒子的扩散；同 [14] Arenaza I M D, Meaurio E, Coto B, et al. Molecular dynamics

种可剥离膜对 Cl 比对 H 2 O 表现出更强的抑制作用。 modelling for the analysis and prediction of miscibility in
结合分子模拟结果分析可知，TPU/Leu 可剥离膜的 polylactide/polyvinilphenol blends[J]. Polymer, 2010, 51(19): 4431-
4438.
防腐机理主要是屏蔽作用、缓蚀钝化作用以及吸附
[15] Liu Jie (刘洁), Liu Zheng (刘峥), Liu Jin (刘进), et al. Inhibition
膜理论。 performance of a new 3,5-dibromosalicylaldehyde-2-thenoyl
hydrazine schiff base for carbon steel in oilfieldwater and relevant
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