Enhanced triglyceride adsorption by steam-activated bamboo charcoal based on molecular dynamics investigations

Abstract

AbstractIn this study, ordinary bamboo charcoal was activated at 750 °C with a steam flow rate of 6.25 L/min for 1.5 h. The effects of triglyceride adsorption by activated bamboo charcoal were investigated using an orthogonal design, and the adsorption mechanism was explored through molecular dynamics. Experimental results revealed that the adsorption capacity of activated bamboo charcoal for triglycerides reached 27.0%. The activated bamboo charcoal exhibited a specific surface area of 560.0 m2/g. The average pore diameter of activated bamboo charcoal was 1.6 nm, whereas that of ordinary bamboo charcoal was 7.2 nm. Molecular dynamics simulations revealed an interaction energy of − 145.12 kcal/mol between the molecular layers of activated bamboo charcoal and the triglyceride molecules, as well as an interaction energy of − 132.73 kcal/mol between the molecular layers of ordinary bamboo charcoal and the triglyceride molecules. The quantity of triglyceride molecules adsorbed by activated bamboo charcoal per gram was estimated to be 1.77 × 1021 while ordinary bamboo charcoal could adsorb merely 1.56 × 1019 triglyceride molecules per gram. This stark contrast in adsorption capacity underscores the superior performance of activated bamboo charcoal than its counterpart.