在水溶液中，对氧化石墨烯吸附双氯芬酸和磺胺甲恶唑的特性。
Adsorption characteristics of diclofenac and sulfamethoxazole to graphene oxide in aqueous solution.
机构信息
Department of Environmental Health, Graduate School of Public Health, Seoul National University, 599 Gwanak-ro, Gwanak-gu, Seoul 157-742, South Korea; Department of Civil and Environmental Engineering, University of South Carolina, Columbia, 300 Main Street, Columbia, SC 29208, USA.
Department of Civil and Environmental Engineering, University of South Carolina, Columbia, 300 Main Street, Columbia, SC 29208, USA.
出版信息
Chemosphere. 2015 Oct;136:20-6. doi: 10.1016/j.chemosphere.2015.03.061. Epub 2015 Apr 22.
The adsorptive properties of graphene oxide (GO) were characterized, and the binding energies of diclofenac (DCF) and sulfamethoxazole (SMX) on GO adsorption were predicted using molecular modeling. The adsorption behaviors of DCF and SMX were investigated in terms of GO dosage, contact time, and pH. Additionally, the effects of sonication on GO adsorption were examined. GO adsorption involves "oxygen-containing functional groups" (OCFGs) such as COOH, which exhibit negative charges over a wide range of pH values (pH 3-11). DCF (-18.8 kcal mol(-1)) had a more favorable binding energy on the GO surface than SMX (-15.9 kcal mol(-1)). Both DCF and SMX were removed from solution (adsorbed to GO), up to 35% and 12%, respectively, within 6h, and an increase in GO dosage enhanced the removal of DCF. Electrostatic repulsion occurred between dissociated DCF/SMX and the more negatively charged GO at basic pH (>pKa). The sonication of GO significantly improved the removal of DCF (75%) and SMX (30%) due to dispersion of exfoliated GO particles and the reduction of OCFGs on the GO surface. Both DCF and SMX in the adsorption isotherm were explained well by the Freundlich model. The results of this study can be used to maximize the adsorption capacities of micropollutants using GO in water treatment processes.
氧化石墨烯（GO）的吸附性能进行了表征，并通过分子建模预测了双氯芬酸（DCF）和磺胺甲恶唑（SMX）在 GO 吸附上的结合能。研究了 GO 用量、接触时间和 pH 值对 DCF 和 SMX 吸附行为的影响。此外，还考察了超声对 GO 吸附的影响。GO 吸附涉及“含氧官能团”（OCFGs），如 COOH，其在广泛的 pH 值范围内（pH 3-11）带负电荷。DCF（-18.8 kcal mol(-1)) 在 GO 表面上的结合能比 SMX（-15.9 kcal mol(-1))更有利。在 6 小时内，溶液中的 DCF（吸附到 GO 上）和 SMX（吸附到 GO 上）分别被去除了 35%和 12%，增加 GO 用量可增强 DCF 的去除效果。在碱性 pH（>pKa）下，解离的 DCF/SMX 与带更多负电荷的 GO 之间发生静电排斥。GO 的超声处理显著提高了 DCF（75%）和 SMX（30%）的去除率，这是由于剥离的 GO 颗粒的分散和 GO 表面上 OCFG 的减少。吸附等温线上的 DCF 和 SMX 都很好地符合 Freundlich 模型。本研究结果可用于在水处理过程中利用 GO 最大限度地提高微量污染物的吸附容量。
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