Selective adsorption of carbonyl compounds from bio-oil by seaweed-derived carbon: A theoretical study

Abstract

Bio-oil is a renewable fuel widely used in the chemical industry, but its high oxygen content results in thermal instability and a low heating value. In order to address this issue, the current study aims to use seaweed-derived biochar as a substrate to selectively adsorb carbonyl compounds from the volatile matter during the bio-oil condensation process. The interaction between acetone and different nitrogen-rich seaweed-derived carbon models were analysed using acetone as a model compound and density functional theory. The adsorption structure, energy, and surface electronic properties between acetone and each seaweed-derived carbon model were analysed. Since nitrogen electronegativity is higher than carbon’s, electron-rich nitrogen, and electron-deficient carbon are formed, thereby increasing the adsorption capacity of nitrogen-doped carbon. The results of this study will provide insight into the adsorption mechanism of seaweed biochar and offer a new approach to reducing the oxygen content of bio-oil and improving its quality.