A modified Polanyi-based model for mechanistic understanding of adsorption of phenolic compounds onto polymeric adsorbents

Environmental Science & Technology
Bingjun Pan, Huichun Zhang

Abstract

To obtain mechanistic insight into adsorption of phenolic compounds by two representative polymeric adsorbents, XAD-4 (polystyrene) and XAD-7 (polymethacrylate), a modified Polanyi-based Dubinin-Ashtakhov (D-A) model was developed based on a unique combination of the Polanyi theory, polyparameter linear energy relationships and infinitely dilute solution in n-hexadecane as the reference state. The adsorption potential in the D-A model ε = -RTln(C(w)/C(w) (sat)) was redefined by replacing the term (C(w)/C(w) (sat)) with the normalized equivalent concentration in n-hexadecane (CHD), where Cw is the aqueous equilibrium concentration and C(w) (sat) is the aqueous solubility of the solute. Using the new reference state allows quantitative comparison among various solutes. By fitting adsorption isotherms to the modified model using εHD = -RTln(CHD/10 000), a new normalizing factor (E(m)) was obtained to quantify the contributions of specific interactions (i.e., H-bonding, dipolar/polarizability, etc.) to the overall adsorption energy. Significant linear correlations were established between "A", the hydrogen-bond acidity, and "E(m)" for the investigated compounds, suggesting that, in addition to hydrophobic interactions, hydrogen-bon...Continue Reading

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Citations

Jan 7, 2015·Environmental Science and Pollution Research International·Kun YangDaohui Lin
Apr 25, 2017·Environmental Science & Technology·Huichun Zhang, Shubo Wang
Sep 15, 2019·Environment International·Jianzhi Huang, Huichun Zhang
Jun 1, 2014·Environmental Science & Technology·Huichun ZhangRominder P S Suri
Nov 20, 2014·Environmental Science & Technology·Nastaran Jadbabaei, Huichun Zhang
May 13, 2014·Environmental Science & Technology·Bingjun Pan, Huichun Zhang

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