An Efficient Numerical Method for the Calculation of Chemical Equilibrium in the H/C/O/N/A System

An efficient method is presented for calculating equilibrium chemical composition at a given pressure and stoichiometry with temperature, enthalpy, or entropy specified as the additional condition. A substantial reduction in computational time was achieved over conventional methods. Examples are given for the H2/O2 system (six equations reduced to two) and C/H2/O2/N2/Ar system (eleven equations reduced to three). A computer program is presented for solving problems with fuels which involve C and H (hydrocarbon or hydrogen) or N and H. Extension of the method to include other systems is explained in sufficient detail to eliminate the requirement for an extensive knowledge of chemistry by potential users.
Prepared in cooperation with ARO, Inc., Tullahoma, Tenn. Rept. no. ARO-VKF-TR-71-181.