Sargassum macro-algae-derived activated bio-char as a sustainable and cost-effective adsorbent for cationic dyes: A joint experimental and DFT study

Abstract

Activated bio-char prepared from the pyrolysis and CO2-based physical activation of Sargassum macro-algae was developed as a sustainable and cost-effective adsorbent for malachite green (MG) and methylene blue (MB) adsorption. Prepared activated bio-char was characterized with CHNS, FESEM, Raman, FT-IR and N2 adsorption/desorption methods. Langmuir isotherm and pseudo second order kinetics model best fitted equilibrium and kinetics data. The maximum adsorption capacity for MG and MB were 500 and 204.8 mg/g. The effect of solution pH and temperature on adsorption efficiency was studied and discussed. Acid treatment easily regenerated the adsorbent. After 5 cycles, the MB and MG adsorption efficiency reached 89 % and 78 %, respectively. A Density Functional Theory (DFT) calculation showed that pH-N-(CH3)2 of MB was strongly attracted to the -COOH functional groups in activated bio-char. For MG, the order of preferred interactions between the ph-N-(CH3)2 groups and the functional groups of adsorbent was -CONH2>-COOH>-COH.