The wastewater characteristic oriented design adsorbent is a promising but challenging strategy for sustainable remediation of actual bisphenol A (BPA) pollution. Research has shown that waste cigarette butt activated carbon (AC-800) has high capacity (865 mg/g), rapid reaction rate (186.9 mg/g/min), and excellent BPA adsorption durability. Unlike carbon based adsorbents reported in literature, quantitative structure-activity relationship studies reveal that graphite defects play a crucial role in improving the adsorption performance of adsorbents. Further research has shown that π - π interactions, electrostatic attraction, and hydrogen bonding interactions have negligible effects on AC-800, while long-range hydrophobic interactions and short-range dispersion forces contribute significantly to BPA adsorption. Thanks to its unique adsorption mechanism, AC-800 has significant anti-interference ability, achieving efficient purification of BPA in complex background wastewater. This study provides new insights into the adsorption mechanism of bisphenol A on carbon based materials and develops an adsorbent suitable for practical green wastewater remediation.

    Rich defect porous carbon adsorbs bisphenol A through remote hydrophobic interaction and short-range dispersion force, with anti-interference ability dataset obtained by experimental methods. The data format is decimal (. xls), with 6 sets of data and a total of 41213 entries.