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Exploring adsorption of neutral aromatic pollutants onto graphene nanomaterials via molecular dynamics simulations and theoretical linear solvation energy relationships
Environmental Science Nano Pub Date : 2018-07-23 , DOI: 10.1039/c8en00575c Ya Wang 1, 2, 3, 4, 5 , Jeffrey Comer 6, 7, 8, 9, 10 , Zhongfang Chen 4, 11, 12, 13 , Jingwen Chen 5, 14, 15, 16, 17 , James C. Gumbart 1, 2, 3, 4
中文翻译：
通过分子动力学模拟和理论线性溶剂化能关系探索中性芳香族污染物在石墨烯纳米材料上的吸附
更新日期：2018-07-23
Environmental Science Nano Pub Date : 2018-07-23 , DOI: 10.1039/c8en00575c Ya Wang 1, 2, 3, 4, 5 , Jeffrey Comer 6, 7, 8, 9, 10 , Zhongfang Chen 4, 11, 12, 13 , Jingwen Chen 5, 14, 15, 16, 17 , James C. Gumbart 1, 2, 3, 4
Affiliation
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TLSER models were developed for the first time to predict the adsorption equilibrium coefficients onto graphene and graphene oxide nanosheets.
中文翻译：
通过分子动力学模拟和理论线性溶剂化能关系探索中性芳香族污染物在石墨烯纳米材料上的吸附
首次开发了 TLSER 模型来预测石墨烯和氧化石墨烯纳米片上的吸附平衡系数。
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