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In this paper an online method for automatically reducing complex chemical mechanisms for simulations of combustion phenomena has been developed. The method is based on the Quasi Steady State Assumption (QSSA). In contrast to previous reduction schemes where chemical species are selected only when they are in steady state throughout the whole process, the present method allows for species to be selected at each operating point separately generating an adaptive chemical kinetics. The method is used for calculations of a natural gas fueled engine operating under Homogenous Charge Compression Ignition (HCCI) conditions. We discuss criteria for selecting steady state species and the influence of these criteria on the results such as concentration profiles and temperature.

The use of a spark plug as an ionization sensor in an engine, and its physical and chemical explanation has been investigated. By applying a small constant DC voltage across the electrodes of the spark plug and measuring the current through the electrode gap, the state of the gas can be probed. An analytical expression for the current as a function of temperature is derived, and an inverse relation, where the pressure is a function of the current, is also presented. It is also found that a relatively minor species, NO, seems to be the major agent responsible for the conductivity of the hot gas in the spark gap.

This paper reports an one–dimensional modeling procedure of the hot spot autoignition with a detailed chemistry and multi–species transport in the end gas in an SI engine. The governing equations for continuity of mass, momentum, energy and species for an one–dimensional, unsteady, compressible, laminar, reacting flow and thermal fields are discretized and solved by a fully implicit method. A chemical kinetic mechanism is used for the primary reference fuels n–heptane and iso–octane. This mechanism contains 510 chemical reactions and 75 species. The change of the cylinder pressure is calculated from both flame propagation and piston movement. The turbulent velocity of the propagating flame is modeled by the Wiebe function. Adiabatic conditions, calculated by minimizing Gibb's free energy at each time step, are assumed behind the flame front in the burned gas.

A method for automatic reduction of detailed reaction mechanisms using simultaneous sensitivity, reaction flow and lifetime analysis has been developed and applied to a two-zone model of an SI engine fuelled with Primary Reference Fuel (PRF). Species which are less relevant for the occurrence of autoignition in the end gas are declared redundant. They are identified and eliminated for different pre-set minimum levels of reaction flow and sensitivity. The resulting skeletal mechanism is valid in the ranges of initial and boundary values for which the analyses have been performed. A measure of species lifetime is calculated from the chemical source terms, and the species with the lifetime shorter than and mass-fraction less than specified limits are selected for removal.