Competitive adsorption of selected non-steroidal anti-inflammatory drugs on activated biochars Experimental and molecular modeling study 选择性非甾体抗炎药在活性生物炭上的竞争吸附：实验和分子模型研究.pdfVIP

Chemical Engineering Journal 264 (2015) 1–9 Contents lists available at ScienceDirect Chemical Engineering Journal journal homepage: www.else /locate/cej Competitive adsorption of selected non-steroidal anti-inflammatory drugs on activated biochars: Experimental and molecular modeling study Chanil Jung a, Linkel K. Boateng a, Joseph R.V. Flora a, Jeill Oh b, Marcus C. Braswell a, Ahjeong Son c, Yeomin Yoon a,⇑ a Department of Civil and Environmental Engineering, University of South Carolina, Columbia, SC 29208, USA b Department of Civil and Environmental Engineering, Chung-Ang University, 84 Heukseok-ro, Dongjak-gu, Seoul 156-756, South Korea c Department of Environmental Science and Engineering, Ewha Womans University, 52 Ewhayeodae-gil, Seodaemun-gu, Seoul 120-750, South Korea h i g h l i g h t s Biochars prepared in the lab were used to remove NSAIDs. Competitive adsorption among NSAIDs was investigated. Aromaticity of adsorbent plays a significant role for NSAIDs adsorption. Interaction energies between the NSAIDs and the biochar were calculated. a r t i c l e i n f o a b s t r a c t Article history: The adsorption of targeted non-steroidal anti-inflammatory drugs: diclofenac (DCF), naproxen (NPX), and Received 10 October 2014 ibuprofen (IBP) by two types of activated biochar (N-/O-biochar) was studied in single- and multi-solute Received in revised form 14 November 2014 adsorption experiments in conjunction with molecular modeling subsequently interpreting the binding Accepted 15 November 2014 energy. The carbonaceous structure of t