Thermodynamics and kinetic modeling of the homogeneous gas phase reactions of the oxidative coupling of methane.

Thermodynamic calculations concerning methane activation have shown that in the equilibrium state hydrocarbons are only present in very small quantities. This is in contrast to experiments carried out under kinetically determined conditions, where considerable amounts of ethane and ethylene are formed via a radical mechanism. A computer model has been developed to simulate and analyze networks of those radical reactions operative in the oxidative coupling of methane.