Calculation of Chemical Equilibrium Reactors in a Process Simulation System.

A description of the structure of a computer program module ″chemical equilibrium reactor″ is given. This module was programmed as part of a process simulation system. In the first part of this program module, all the data needed for the computation of the simultaneous chemical equilibria must be calculated automatically such as the thermodynamic properties and the evaluation of a starting point by means of which the method converges. To make such a program most effective in every day use it is necessary to reduce the degrees of freedom to simulate an incomplete equilibrium.