Reaction Kinetics of HAN and Water Mixtures Using a Personal Computer.

摘要

A program has been developed to study the reaction kinetics of gun propellants such as the HAN based liquids using a personal computer. These HAN based systems can be studied using a main-frame computer but often require long run times. In order to eventually model the liquid propellant guns, including the fluid flow, it was necessary to develop a fact reacting program which would form part of the final system. In addition, a reaction program which could run on a personal computer is convenient for initial of possible fuels and oxidizers. The main problem with any such system is that the equations are stiff with ideal time steps varying from 10E-18 seconds to 10E+03 seconds. Under these conditions, many integration schemes become unstable. An additional problem of using a PC is that the accuracy is limited, and as a result, atoms are not conserved due to round-off error. A minimum free energy chemical equilibrium code MCVEC was used to calculate equilibrium conditions. Using these equilibrium conditions, the reaction kinetic code was used to study the reaction of hydrogen and oxygen as an initial test case. Comparisons were then undertaken using HAN and the results compared with both the equilibrium results and available experimental data. Keywords: Kinetics; Combustion; Chemical kinetics; Kinetic models; Liquid propellants; Personal computers; HAN; Software; Computer codes. (KT)