Calculation of chemical equilibrium in complex systems: System restrictions

摘要

The set of positive solutions of the mass balance equations Omega must not be empty; otherwise, at Least one species exists which has zero number of moles independently of the chemical changes in the system. If the set Omega is empty, then numerical problems can occur in the course of the calculation of chemical equilibrium. Two examples demonstrate the importance of this problem and the algorithm, allowing to prove emptiness or non-emptiness of the set Omega, is proposed. [References: 15]