Nitrogen-doped porous carbon (ZC) is prepared by modification with ammonia for increasing the specific surface area and surface polarity after carbonization of zeolite imidazole framework-8 (ZIF-8). The structure and properties of these ZCs were characterized by Transmission electron microscopy, X-ray diffraction, N₂ sorption, X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. Through static adsorption tests of these carbons, the sample obtained at 600 °C was selected as an excellent adsorbent, which exhibited an excellent acetone capacity of 417.2 mg g (25 °C) with a very large surface area and high-level nitrogen doping (13.55%). The microporosity, surface area and N-containing groups of the materials, pyrrolic-N, pyridinic-N, and oxidized-N groups in particular, were found to be the determining factors for acetone adsorption by means of molecular simulation with density functional theory. These findings indicate that N-doped microporous carbon materials are potential promising adsorbents for acetone.
