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Adsorption equilibrium isotherms of phenolic compounds, phenol, p-cresol, p-chlorophenol and p-nitrophenol, from aqueous solutions by Amberlite XAD-4 polymeric adsorbent and its acetyhzed derivative MX-4- within temperature range of 283-323K were obtained and fitted to the Freundlich isotherms. The capacities of equilibrium adsorption for all four phenolic compounds from their aqueous solutions increased around 20% on the acetylized resin, which may be contributed to the specific surface area and the partial polarity on the network.Estimations of the isosteric enlhalDV, free energy, and entropy for the adsorption process were reported.  相似文献
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取代芳烃对呆鲦鱼急性毒性的QSAR研究   总被引:4,自引:1,他引:3  
应用密度泛函方法(DFT)在B3LYP/6-311G**水平上全优化计算25个取代芳烃的量子化学参数,结合疏水性参数与化合物对呆鲦鱼的急性毒性进行定量构效关系研究(QSAR)。经逐步回归筛选变量后,所建多元线性回归方程的相关系数R及去一法交互检验复相关系数R2cv分别为0.967和0.907。用预测集样本进行了外部预测,所得外部预测样本复相关系数R2ext和外部预测集交互检验Q2ext分别为0.881和0.836。模型结果显示:分子疏水性参数logP较大时具有较大的脂溶性,化合物的毒性较大;取代基的吸电子能力越强,苯环的正电性越大,化合物的毒性越大。  相似文献
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研究啶虫脒和对甲酚在单组分、双组分水溶液中在大孔吸附树脂D201和氨基修饰的交联苯乙烯-二乙烯苯共聚体ZH202上不同温度下的吸附行为。实验结果表明,2种吸附剂对单组份两种吸附质的吸附等温线符合Freundlich方程,对甲酚和啶虫脒在2种吸附剂上的吸附过程均属放热的物理吸附过程;双组分吸附体系下,在较高平衡浓度下,呈现协同吸附现象。  相似文献
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The adsorption behavior of p-aminobenzoic acid and o-aminobenzoic acid onto the different polymeric adsorbents was systematically investigated as a function of the solution concentration and temperature.Experimental results indicated that the equilibrium adsorption data of the four polymeric adsorbents fitted well in the Freundlich isotherm.The adsorption capacity of multi-functional polymeric adsorbent NJ-99 was the highest,which might be attributed to the strong hydrogen-bonding interaction between the amino groups on the resin and the carboxyl group of aminobenzoic acid.The adsorption capacity of o-aminobenzoic acid onto any adsorbent was higher than p-aminobenzoic acid.Thermodynamic studies suggested the exothermic,spontaneous physical adsorption process.Adsorption kinetics results showed that the adsorption followed the pseudo-second-order kinetics model and the intraparticle mass transfer process was the rate-controlling step.  相似文献
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