氧化石墨烯吸附水体中酚类有机污染物的分子动力学模拟
赵超锋1,金佳人1,霍英忠1,孙陆2,艾玥洁1(
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Adsorption of Phenolic Organic Pollutants on Graphene Oxide: Molecular Dynamics Study
ZHAO Chaofeng1,JIN Jiaren1,HUO Yingzhong1,SUN Lu2,AI Yuejie1()
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图3. 竞争吸附体系中苯酚(绿色)、α-萘酚(紫色)和4-辛基酚(黄色)在GO表面不同时刻的吸附结构图
Fig. 3. Snapshots of competitive system from simulation process at different time Phenol, α-naphthol and 4-octyl-phenol molecules are shown as green, purple and yellow molecules, respectively. Water molecules are not shown to highlight the configuration
