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<p>Sand is widely used in drinking water filtration, yet its adsorption capacity for neutral and ionic organic micropollutants is not well understood. To address this, isotherm experiments were conducted on 57 micropollutants, and adsorption mechanisms were analyzed using linear free energy relationship (LFER) models. Although a unified model for all charge types was not feasible due to sand’s heterogeneity, separate models for cations (R<sup>2</sup> = 0.849), anions (R<sup>2</sup> = 0.858), and neutral compounds (R<sup>2</sup> = 0.857) showed good predictability. Cation adsorption was attributed to interactions with electron-poor sites, while high polarity and size limited uptake. Anions interacted weakly with surface OH groups, but repulsion from the negative charge hindered adsorption. Neutral compounds were influenced by polarity and size (favorable) and excess molar refractivity and H-bond basicity (unfavorable). These findings offer insight into the adsorption behavior of sand and suggest strategies to improve its application in micropollutant removal.</p>

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Integrating Experimental and QSAR Modeling Approaches to Assess the Adsorption of Neutral and Ionic Micropollutants onto Sand

  • 期刊论文

  • 发表日期：

    2026年2月18日

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  • Jeong-Min Cheon,
  • Kwan-Yong Lee,
  • Se-Ra Jin,
  • Si-Hyeon Park,
  • Che-Ryong Lim,
  • Chul-Woong Cho

摘要

Sand is widely used in drinking water filtration, yet its adsorption capacity for neutral and ionic organic micropollutants is not well understood. To address this, isotherm experiments were conducted on 57 micropollutants, and adsorption mechanisms were analyzed using linear free energy relationship (LFER) models. Although a unified model for all charge types was not feasible due to sand’s heterogeneity, separate models for cations (R2 = 0.849), anions (R2 = 0.858), and neutral compounds (R2 = 0.857) showed good predictability. Cation adsorption was attributed to interactions with electron-poor sites, while high polarity and size limited uptake. Anions interacted weakly with surface OH groups, but repulsion from the negative charge hindered adsorption. Neutral compounds were influenced by polarity and size (favorable) and excess molar refractivity and H-bond basicity (unfavorable). These findings offer insight into the adsorption behavior of sand and suggest strategies to improve its application in micropollutant removal.