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17 December 2025

Insight into the Adsorption Behavior of Cd(II) and Pb(II) from Mud by HCl-Modified Coconut Shell Biochar: Experimental and DFT Studies

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1
State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures, Guangxi Key Laboratory of Processing for Non-Ferrous Metals and Featured Materials, School of Resources, Environment and Materials, Guangxi University, Nanning 530004, China
2
Urban Rural Construction College, Guangxi Vocational University of Agriculture, Nanning, 530007, China
3
SAIC-GM-Wuling Automobile Co., Ltd., Liuzhou 545007, China
4
Guangxi Qinghui Environmental Protection Technology Co., Ltd., Chongzuo 532100, China
This article belongs to the Section Green and Environmental Chemistry

Abstract

This study investigated the efficiency of biochar in eliminating Cd(II) and Pb(II) ions from slurries generated from construction-derived waste materials. The construction waste slurry samples consisted of genuinely contaminated sludge sediments. To improve the adsorption capacity of biochar for metal ions, coconut shell-derived biochar was subjected to hydrochloric acid treatment. The modified biochar demonstrated an improved porous structure and showed a higher concentration of oxygen-containing functional groups compared to the untreated biochar. After a 48 h contact with the contaminated slurry, the treated biochar attained removal efficiencies of 21.15% for Cd(II) and 19.43% for Pb(II). The kinetic study of the adsorption process conformed to a pseudo-second-order model. Density functional theory (DFT) computations clarified the adsorption mechanism of Cd(II) and Pb(II) by carboxyl (-COOH) and hydroxyl (-OH) functional groups. The findings demonstrated that functional groups contribute lone-pair electrons for the adsorption of heavy metal ions. The carboxyl (-COOH) functional group exhibited a greater affinity for binding Cd(II) and Pb(II) ions than the hydroxyl (-OH) group, which explains the improved adsorption efficiency seen in biochar treated with hydrochloric acid. These findings offer theoretical validation for the use of hydrochloric acid-modified biochar as an efficient adsorbent for the remediation of sludge contaminated with Cd(II) and Pb(II).

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