Correlations for Adsorption of Oxygenates onto Zeolites from Aqueous Solutions

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• 作者：Elizabeth E. Mallon ; Ian J. Babineau ; Joshua I. Kranz ; Yasmine Guefrachi ; J. Ilja Siepmann ; Aditya Bhan ; Michael Tsapatsis
• 刊名：Journal of Physical Chemistry B
• 出版年：2011
• 出版时间：October 6, 2011
• 年：2011
• 卷：115
• 期：39
• 页码：11431-11438
• 全文大小：926K
• 年卷期：v.115,no.39(October 6, 2011)
• ISSN：1520-5207

文摘

Henry鈥檚 constants (K_ads) for adsorption of C₃ polyfunctional molecules onto zeolites from aqueous solutions at 278 K were obtained and compared with the octanol鈥搘ater partition coefficients, K_ow, which were calculated using the prevalent ClogP group contribution method. K_ads increases linearly with K_ow for these adsorbates on H鈥揨SM-5 (MFI), FAU, BEA, and ITQ-1 (MWW). K_ads values for C₂鈥揅₆ diol adsorption at 278 K are also linearly correlated with K_ow regardless of interactions in the bulk phase as measured by the solution activity coefficient. Exceptions to the correlation established between K_ads and K_ow are the adsorption of 1,2,蠅-triols with carbon number greater than three on H鈥揨SM-5 and adsorption of all oxygenates studied on FER, which we postulate to be due to the effect of changing adsorption configuration with adsorbate/zeolite structure which cannot be captured by K_ow alone. These results enable the prediction of separation selectivities of biomass-derived compounds on zeolite adsorbents.