An innovative ammoniation-hydrothermal method of biochar production was developed for the adsorption of phenanthrene (PHE) from aqueous solutions in this paper. Phragmites australis (PA) was used to produce biochar in a hydrothermal kettle at 280 °C in muffle furnace using urea as an ammoniation reagent. Characterizations were executed by scanning electron microscope (SEM), N 2 adsorption/desorption isotherms, X-ray diffraction (XRD), elemental analysis, X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FT-IR) to explore its morphological, physical, and chemical properties. Batch experiments of PHE adsorption were carried out to study the adsorption isotherms and kinetics. Quantum chemistry computational simulations were employed based on density functional theory (DFT) to establish and optimize adsorption configurations and analyze the biochar's structural effects on adsorption performance. Results showed that the ammoniation-hydrothermal method produced biochar with a higher surface area and a maximum equilibrium adsorption capacity of 1.97 mg/g. The adsorption fitted well with Freundlich isotherm model (R 2 > 0.96) and Pseudo-second-order kinetic model (R 2 > 0.82). Adsorption energy calculation revealed that the N functionalities, especially pyridine N in the N-doped biochar structure, exhibited stronger binding ability with PHE, which contributed most to the favorable adsorption ability of the ammoniation-hydrothermal biochar.
Coal-based activated carbon (CAC) was prepared from coal produced in Xinjiang of China by microwave activation. CAC was characterized and used as an adsorbent for phenanthrene adsorption. The effects of temperature, adsorption time, CAC amount, initial concentration and pH value of solution on phenanthrene adsorption were studied. The adsorption rate of phenanthrene onto CAC was obtained nearly 100% with initial concentration of 100 mg/L and CAC dosage of 0.3 g at 25 °C. Phenanthrene adsorption was well described with the Langmuir isotherm. The pseudo-second-order model was found to more effectively explain the adsorption kinetics of phenanthrene. The lower temperature was favorable to the adsorption rate and equilibrium adsorption capacity of phenanthrene onto CAC. The thermodynamic parameters ΔH θ , ΔS θ and ΔG θ computed for phenanthrene adsorption onto CAC demonstrate the process was spontaneous, radiative, and entropically driven. Thus, CAC prepared by microwave activation could be effective for removing phenanthrene.
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