Activation of Cellulose with Alkaline Earth Metals

Alkaline-earth-metal ions accelerate the breaking of cellulose bonds and control distribution products in pyrolysis lignocellulose to biofuels chemicals. Here, activation via magnesium was measured over a range temperatures from 370 430 °C for 20–2000 ms compared with calcium, another naturally occurring alkaline earth metal materials. The experimental approach pulse-heated analysis solid/surface reactions (PHASRs) showed that significantly catalyzes second-order rate dependence on catalyst concentration. An barrier 45.6 ± 2.1 kcal mol–1 prefactor 1.18 × 1016 (mmol Mg2+/g CD)−2 s–1 were obtained α-cyclodextrin (CD), surrogate, concentrations 0.1–0.5 mmol Mg2+ per gram CD. First-principles density functional theory calculations play dual role catalyzing reaction by hydrogen hydroxymethyl groups destabilizing reacting chain, thus making it more active. calculated 47 is agreement experimentally barriers similar calcium ion catalysts (∼50 mol–1).