EQUATION-OF-STATE CALCULATIONS OF CHEMICAL-REACTION EQUILIBRIUM IN NONIDEAL SYSTEMS

In order to calculate accurately chemical-reaction equilibria of a sys tem over a wide range of temperatures and pressures, one must account for the nonidealities of the system. In this work, a method is develop ed to predict accurately chemical-reaction equilibria and phase equili bria of a system using an equation of state to account for the nonidea lities. The general formalism for a multicomponent system with multipl e reactions is presented. Three widely used cubic equations of state a re used to calculate the physical properties of the species. The propo sed method is applied to the water-gas shift reaction, to the decompos ition of methylcyclohexane, and to the reaction of carbon monoxide wit h hydrogen sulfide over a wide range of temperatures and pressures.