▎ 摘　　要

This work describes the modeling and analysis of methylene blue molecule on different adsorbents, namely, nickel alginate/ graphene oxide (NA/GO) aerogel, nickel alginate/activated carbon (NA/AC) aerogel, and Trichosanthes kirilowii maxim shell activated carbon (TKAC). A multilayer statistical physics model was used to calculate the energetic and steric parameters of the adsorption of methylene blue on these adsorbents. Based on the modeling investigation, it was concluded that the formation of multiple dye adsorbed layers on these adsorbents could be feasible where physical adsorption interactions could be involved. Adsorption capacities at saturation of these adsorbents ranged from 542.97 to 470.03 mg/g, 790.66 to 684.47 mg/g, and 401.11 to 1236.24 mg/g for NA-GO aerogel, NA-AC aerogel, and TKAC, respectively. This research contributes with new findings for the understanding of dye adsorption on novel materials, which can be used in water pollution control.