and the predictions obtained from the thermodynamic model, we
decided, for the present work, to keep using that value of 0.9 for the
simulation of the reactive VLE of the ternary system. Since the
reactive VLE corresponds to a combination of chemical and vaporliquid
equilibria, such a decision appears to be justifiable. For the
sake of consistency, that value of 0.9 was also used for the
simulation of the vapor-phase chemical equilibrium.
3. Simulation results
3.1. Results for the vapor-phase chemical equilibrium
By following the four-stage strategy explained in Section 2.1,
RxMC simulations of the vapor-phase chemical equilibrium for the
ternary system ethylene + water + ethanol were carried out at a