biostudies-literatureLi Xthe Fundamental Research Funds for the Central UniversityNational Natural Science Foundation of ChinaKey R&D project of Shaanxi Province12118https://www.ebi.ac.uk/biostudies/studies/S-EPMC9566536biostudies-literatureUnknown19(19)Herein, the adsorption/desorption behaviors of benzoic acid (BA) and phthalic acid (PA) on three functionalized carbon nanotubes (CNTs) at various pH were investigated, and the charge-assisted H-bond (CAHB) was verified by DFT and FTIR analyses to play a key role. The results indicated that the adsorption order of BA and PA on CNTs was different from <i>K</i><sub>ow</sub> of that at pH 2.0, 4.0, and 7.0 caused by the CAHB interaction. The strength of homonuclear CAHB (≥78.96 kJ·mol<sup>-1</sup>) formed by BA/PA on oxidized CNTs is stronger than that of heteronuclear CAHB formed between BA/PA and amino-functionalized CNTs (≤51.66 kJ·mol<sup>-1</sup>). Compared with the heteronuclear CAHB (Hysteresis index, HI ≥ 1.47), the stronger homonuclear CAHB leads to clearly desorption hysteresis (HI International journal of environmental research and public healthEffect of pH-Dependent Homo/Heteronuclear CAHB on Adsorption and Desorption Behaviors of Ionizable Organic Compounds on Carbonaceous Materials.PMC956653642177202, 41703093, 4197148GK202103138, 2021CSLY015, GK2021031282022NY-054Li XLiu YChen QDu CZhang JZhang NJin YWang YXue ZLi NfalseEffect of pH-Dependent Homo/Heteronuclear CAHB on Adsorption and Desorption Behaviors of Ionizable Organic Compounds on Carbonaceous Materials.Herein, the adsorption/desorption behaviors of benzoic acid (BA) and phthalic acid (PA) on three functionalized carbon nanotubes (CNTs) at various pH were investigated, and the charge-assisted H-bond (CAHB) was verified by DFT and FTIR analyses to play a key role. The results indicated that the adsorption order of BA and PA on CNTs was different from <i>K</i><sub>ow</sub> of that at pH 2.0, 4.0, and 7.0 caused by the CAHB interaction. The strength of homonuclear CAHB (≥78.96 kJ·mol<sup>-1</sup>) formed by BA/PA on oxidized CNTs is stronger than that of heteronuclear CAHB formed between BA/PA and amino-functionalized CNTs (≤51.66 kJ·mol<sup>-1</sup>). Compared with the heteronuclear CAHB (Hysteresis index, HI ≥ 1.47), the stronger homonuclear CAHB leads to clearly desorption hysteresis (HI 2022-01-01T00:00:00Z2022 Sep2025-04-19T06:46:03.356Z2025-04-19T06:46:03.356ZS-EPMC95665363623142310.3390/ijerph191912118