Efficiency and mechanism of coke powder adsorption for different functional group-substituted polycyclic aromatic hydrocarbons

XU Tian-yuan; ZHANG Fan; WEI Xin-peng; WANG Zhi-yu; XING Yao-wen; GUI Xia-hui

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China Environmental Science ›› 2025, Vol. 45 ›› Issue (5) : 2451-2461.

Efficiency and mechanism of coke powder adsorption for different functional group-substituted polycyclic aromatic hydrocarbons

XU Tian-yuan¹, ZHANG Fan¹, WEI Xin-peng^2,3, WANG Zhi-yu^2,3, XING Yao-wen^2,3, GUI Xia-hui^2,3

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Abstract

Coke powder (CP), a coking byproduct, was employed as an adsorbent to investigate the adsorption performance and mechanisms toward polycyclic aromatic hydrocarbons (PAHs) substituted with different functional groups—naphthalene, naphthol, and naphthoic acid. The potential of CP for removing PAHs from wastewater was further evaluated through systematic analyses. Adsorption performance tests demonstrated removal efficiencies of 97.4%, 86.6%, and 76.8% for naphthalene, naphthol, and naphthoic acid, respectively, within 120 min, with pseudo-second-order kinetic rate constants of 0.680, 0.532, and 0.183g/(mg?min). The maximum adsorption capacities followed the order: naphthalene (23.8mg/g) > naphthol (8.04mg/g) > naphthoic acid (3.94 mg/g). While pH exhibited minimal effects on the adsorption of naphthalene and naphthol, naphthoic acid adsorption was significantly enhanced under acidic conditions compared to neutral or alkaline environments. Results of FTIR, XPS, DRUV-Vis spectroscopy, and DFT calculation revealed that the adsorption of naphthalene on CP was multilayered, primarily driven by hydrophobic interactions, van der Waals forces, and π-π electron donor-acceptor (EDA) interactions. In contrast, the adsorption of naphthol and naphthoic acid involved monolayer chemisorption, attributed to strong π donors and the π-π EDA interactions with the polarized electron-depleted regions on the CP surface. The hydrophilic nature of the hydroxyl group in naphthol reduced the saturation adsorption capacity. While electrostatic repulsion between naphthoic acid and CP weakened the π-π EDA interaction, resulting in a slightly lower adsorption capacity.

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adsorption / coke powder / polycyclic aromatic hydrocarbons / π-π EDA interaction

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XU Tian-yuan, ZHANG Fan, WEI Xin-peng, WANG Zhi-yu, XING Yao-wen, GUI Xia-hui. Efficiency and mechanism of coke powder adsorption for different functional group-substituted polycyclic aromatic hydrocarbons[J]. China Environmental Science. 2025, 45(5): 2451-2461

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