College of Environmental Sciences and Engineering, Peking University, The Key Laboratory of Water and Sediment Sciences, Ministry of Education, Beijing 100871, China.
College of Environmental Sciences and Engineering, Peking University, The Key Laboratory of Water and Sediment Sciences, Ministry of Education, Beijing 100871, China.
Environ Pollut. 2015 Nov;206:652-60. doi: 10.1016/j.envpol.2015.08.031. Epub 2015 Aug 28.
LSER models for organic compounds adsorption by single and multi-walled carbon nanotubes and activated carbon were successfully developed. The cavity formation and dispersion interactions (vV), hydrogen bond acidity interactions (bB) and π-/n-electron interactions (eE) are the most influential adsorption mechanisms. SWCNTs is more polarizable, less polar, more hydrophobic, and has weaker hydrogen bond accepting and donating abilities than MWCNTs and AC. Compared with SWCNTs and MWCNTs, AC has much less hydrophobic and less hydrophilic adsorption sites. The regression coefficients (e, s, a, b, v) vary in different ways with increasing chemical saturation. Nonspecific interactions (represented by eE and vV) have great positive contribution to organic compounds adsorption, and follow the order of SWCNTs > MWCNTs > AC, while hydrogen bond interactions (represented by aA and bB) demonstrate negative contribution. These models will be valuable for understanding adsorption mechanisms, comparing adsorbent characteristics, and selecting the proper adsorbents for certain organic compounds.
成功建立了单壁和多壁碳纳米管及活性炭对有机化合物吸附的 LSER 模型。空腔形成和色散相互作用（vV）、氢键供体酸性相互作用（bB）和π-/n-电子相互作用（eE）是最主要的吸附机制。SWCNTs 比 MWCNTs 和 AC 更具极化性、极性更小、疏水性更强，且接受和供氢键的能力更弱。与 SWCNTs 和 MWCNTs 相比，AC 的疏水性和亲水性吸附位较少。随着化学饱和度的增加，回归系数（e、s、a、b、v）以不同的方式变化。非特异性相互作用（由 eE 和 vV 表示）对有机化合物的吸附有很大的正贡献，其顺序为 SWCNTs＞MWCNTs＞AC，而氢键相互作用（由 aA 和 bB 表示）则表现出负贡献。这些模型对于理解吸附机制、比较吸附剂特性以及为特定有机化合物选择合适的吸附剂具有重要价值。
