Gibbs energy minimization method for analysis of non-oxidative methane dehydroaromatization

The activation and conversion of methane to higher hydrocarbons and hydrogen is a great challenge to catalysis science. In recent years, there have been many efforts on direct catalytic transformations of methane into higher hydrocarbons under non-oxidative conditions. The total Gibbs free energy minimization is applied to study the influence of operating parameters (temperature and pressure) on equilibrium methane conversion and products distribution under non-oxidative conditions. Numerical results showed that methane conversion increased with temperature and decreased with pressure. The equilibrium calculations indicated that with increase in temperature, formation of aromatics (naphthalene, benzene, toluene, mixed xylene) olefins and hydrogen is increased while, selectivity of paraffins is reduced. As the system pressure is increased, formation of aromatics, olefins and hydrogen is decreased, whereas, paraffins formation is enhanced.