Molecular level simulation of the adsorption of bisphenol A and 17α-ethinyl estradiol onto carbon nanomaterials

Linkel K Boateng,Jiyong Heo,Joseph R V Flora,Yonggyun Park,Yeomin Yoon

Separation and Purification Technology（2013）

引用 32|浏览1

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摘要

•Adsorption of EE2 onto the CNMs was more favorable than BPA in all cases.•Binding of EDCs to MWNT was more favorable than SWNT but SWNT had a greater adsorption capacity for the EDCs.•Increased ionic strength did not significantly affect the adsorption of EDCs onto CNMs.

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关键词

Carbon nanomaterials,Adsorption,Molecular dynamics,Free energy,Bisphenol A,17α-Ethinyl estradiol

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