Advanced Water Technology Center, Colorado School of Mines, Golden, CO, USA.
Water Sci Technol. 2010;62(10):2270-6. doi: 10.2166/wst.2010.497.
Isotherms were determined for the adsorption of five pharmaceutical residues, primidone, carbamazepine, ibuprofen, naproxen and diclofenac, to Calgon Filtrasorb 300 powdered activated carbon (PAC). The sorption behavior was examined in ultra-pure and wastewater effluent organic matter (EfOM) matrices, where more sorption was observed in the ultra-pure water for PAC doses greater than 10 mg/L suggesting the presence of EfOM hinders the sorption of the pharmaceuticals to the PAC. Adsorption behaviors were described by the Freundlich isotherm model. Quantitative structure property relationships (QSPRs) in the form of polyparameter linear solvation energy relationships were developed for simulating the Freundlich adsorption capacity in both ultra-pure and EfOM matrices. The significant 3D-based descriptors for the QSPRs were the molar volume, polarizability and hydrogen-bond donor parameters.
测定了五种药物残留（扑米酮、卡马西平、布洛芬、萘普生和双氯芬酸）在 Calgon Filtrasorb 300 粉末活性炭（PAC）上的吸附等温线。在超纯水和废水有机物（EfOM）基质中考察了吸附行为，对于 PAC 剂量大于 10mg/L 的超纯水，观察到更多的吸附，表明 EfOM 的存在阻碍了药物向 PAC 的吸附。吸附行为用 Freundlich 等温线模型描述。以多参数线性溶剂化能关系的形式建立了定量构效关系（QSPR），以模拟超纯水和 EfOM 基质中的 Freundlich 吸附容量。对于 QSPR，显著的 3D 基描述符是摩尔体积、极化率和氢键供体参数。
