Abstract
Deoxygenation, or removal of oxygen from oxygenates, is an important element in the hydrocarbon fuel production process from biorenewable substrates. A thermodynamic equilibrium analysis gives valuable insights on the theoretical limits of desired products when a substrate is reacted under a given set of conditions. Here we report the equilibrium composition of glucose-to-hydrocarbon system by minimizing the total Gibbs energy of the system. The system was treated as a mixture of 11 components comprised of C6H6, C7H8, C8H10 (ethyl benzene), C8H10 (xylenes), C6H5 –OH, CH4, H2O, C, CO2, CO, and H2. Equilibrium compositions of each species were analyzed between temperatures 300 and 1500 K and pressures 0–15 atm. It was observed that at high temperature, CO and H2 dominate the equilibrium mixture with mole fractions of 0.597 and 0.587 respectively. At low temperatures the equilibrium mixture is dominated by CH4, CO2, H2O, and carbon. The aromatic hydrocarbon composition observed at thermodynamic equilibrium was extremely small.
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