Mechanistic understanding of highly selective adsorption of bisphenols on microporous-dominated nitrogen-doped framework carbon

Producing a desirable adsorbent for removing endocrine disrupting compounds (EDCs) from aqueous solutions remains a major challenge. In this work, microporous-dominated nitrogen-doped framework carbons (MNFCs, s means the calcination temperature) with high specific surface area, ultra-microporous structure, and high nitrogen-doping can be obtained by a direct calcination of ethylene diamine tetraacetic acid tetrasodium (EDTA-4Na) without aid of any catalyst and nitrogen source. MNFCs were applied adsorbents to remove bisphenols from aqueous solution. Batch experiments showed MNFC-750 had a large adsorption capacity for bisphenols from aqueous solutions (409 mg/g for bisphenol A, 364 mg/g for bisphenol F, and 521 mg/g for bisphenol S) along with short equilibrium time (30 min), and good stability and reusability. Using multiple characterizations and comparative experiments along with theoretical calculations, we discovered that: (1) nitrogen-doping can significantly boost the adsorption capacity; (2) adsorption sites are mainly the pyridinic-N instead of pyrrolic-N and graphitic-N; and (3) the adsorption mechanisms were mainly driven by Lewis acid-base interaction, hydrophobic interaction, π-π interaction and hydrogen bond interaction. These findings indicate that MNFCs present a promising potential for practical applications and shed light on the rational design of nitrogen doped carbon-based adsorbents for efficient pollutant removal.