Development of a practical soot model for diesel surrogate fuels and oxygenated fuels with specific soot precursor tracking and uniform model structure

Abstract

Soot formation and oxidation involve several complex processes, which are driven by gas-phase chemistry and soot particle dynamics. An effective soot model for diesel surrogate and practical oxygenated fuels is necessary for predicting the soot emissions to meet the emission regulations in engines. To develop a practical and universal soot model for various fuels without tuning any model parameters under wide operating conditions, it is important to reproduce the soot behaviors for different fuels with distinct molecular structures. In this work, a practical soot model was developed to describe the soot behaviors for diesel surrogate fuels comprising large n-alkane, isoalkane, cycloparaffin, and aromatic hydrocarbon, as well as oxygenated fuels including alcohol and ether. The influence of the fuel molecular structures on the soot behaviors was emphasized by utilizing the specific reaction pathways of polycyclic aromatic hydrocarbon (PAH) production and the specific reaction channels of the soot formation including soot nucleation and PAH condensation for different fuels. An efficient method named the moment projection method (MPM) was employed to describe the soot particle dynamics by directly solving the moment transport equations and track the number of soot particles. By coupling a reduced chemical reaction model for describing the fuel oxidation chemistry and PAH formation, it is found that the soot volume fraction and number density are well predicted for iso-octane, n-heptane, toluene, methanol, n-butanol, dimethyl ether, their mixtures, and diesel surrogate in shock tubes and laminar premixed flames without tuning any model parameters. The effects of equivalence ratio, temperature, and fuel type on soot production are analyzed through the rates of soot nucleation, surface growth, PAH condensation, and oxidation. The computational results indicate that the present model can satisfactorily reproduce the soot characteristics of different fuels with distinct soot formation and oxidation processes.