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Comparison of three active carbons using LSER modeling: prediction of their selectivity towards pairs of volatile orgnaic compounds (VOCs)

机译:使用LSER建模比较三种活性炭:预测它们对挥发性有机化合物(VOC)的选择性

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摘要

In order to classify chemially modified active carbons in terms of selectivity towards pairs of Volatile Organic Compounds (VOCs), and in order to follow their chemical treatment, two active lignites were characterized by the Linear Solvation Energy Relationship (LSER) equation of Abraham et al. Results are compared to those obtained with a commercial active carbon used as a reference material. Three LSER equations were determined by using gas-solid partition coefficents at infinite dilution of 13 probe molecules in gas chromatographic method of elution by characteristic point. In this way, the three active carbons were characterized in term of molecular interaction parameters. Their significance is discussed and is in good agreement with known chemial composition data. The study shows that the commercial material is the most selective adsorbent for the test-pair (methylethylketone/dichloroethane) and that both activated lignites are selective for the other test-pair of VOCs. Then, the limits of the predictions of selectivity towards the test-pair of VOCs (methanol/dichloromethane) are also discussed.
机译:为了根据对挥发性有机化合物对(VOCs)的选择性对化学改性的活性炭进行分类,并按照其化学处理方法,通过Abraham等人的线性溶剂能关系(LSER)方程对两种活性褐煤进行了表征。 。将结果与使用市售活性炭作为参考材料获得的结果进行比较。在特征点洗脱的气相色谱法中,通过无限稀释13个探针分子时使用气固分配系数,确定了三个LSER方程。以这种方式,根据分子相互作用参数表征了三种活性炭。他们的意义进行了讨论,并与已知的化学成分数据很好地吻合。研究表明,市售材料对测试对(甲基乙基酮/二氯乙烷)是最具选择性的吸附剂,并且两种活化的褐煤对其他测试对的VOC具有选择性。然后,还讨论了对挥发性有机化合物(甲醇/二氯甲烷)测试对的选择性预测的限制。

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