A fast algorithm for calculating the composition of diesel combustion products using 11 species chemical equilibrium scheme

Abstract The knowledge of the exact composition of the gases produced during combustion is very important for simulating the whole cycle of an internal combustion engine and especially for successfully predicting the exhaust pollutants emissions and mainly the nitric oxide concentration. For this purpose, the present paper produces a FORTRAN program for calculating the composition of the diesel combustion products, which is based on the development of a model using 11 species chemical equilibrium considerations. The 11 × 11 non-linear system, which is obtained from the seven non-linear equilibrium equations and the four linear atom balance equations, is converted to a 4 × 4 non-linear system. This system is solved using the Newton-Raphson method for non-linear systems, with no conversion problems and small computational cost. The program is applied successfully for n -dodecane fuel, which typically represents the diesel fuel, at conditions prevailing in diesel engine combustion chambers, revealing the influence on composition of pressure, temperature and equivalence ratio.

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