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In the present study a novel surrogate model for biodiesel including methyl decanoate (MD) and methyl crotonate (MC) was proposed and validated. In the binary mixture of surrogate fuel, MD was chosen to represent saturated methyl esters, which exhibited great low-temperature reactivity with typical negative temperature-coefficient (NTC) behavior and MC represented unsaturated components in real biodiesel, which was mainly responsible for soot formation and evolution. The proportion of MD and MC was determined by matching the characteristics such as derived cetane number (DCN), molecular weight (MW), atom number, H/C ratio and unsaturated degree. All of the criterions were calculated by the least square principles and the calculated surrogate of biodiesel was comprised of 92% MD and 8% MC in mole fraction. Furthermore, detailed kinetic model of the surrogate fuel was constructed and developed with modifications, which was composed of 2918 species and 9164 reactions.

Ammonia has attracted the attention of a growing number of researchers in recent years. However, some properties of ammonia (e.g., low laminar burning velocity, high ignition energy, etc.) inhibit its direct application in engines. Several routes have been proposed to overcome these problems, such as oxygen enrichment, partial fuel cracking strategy and co-combustion with more reactive fuels. Improving the reactivity of ammonia from the oxidizer side is also practical. Ozone is a highly reactive oxidizer which can be easily and rapidly generated through electrical plasma and is an effective promoter applicable for a variety of fuels. The dissociation reaction of ozone increases the concentration of reactive radicals and promotes chain-propagating reactions. Thus, obtaining accurate rate constants of reactions related to ozone is necessary, especially at elevated to high pressure range which is closer to engine-relevant conditions.

To achieve higher efficiencies and lower emissions, dual-fuel strategies have arisen as advanced engine technologies. In order to fully utilize engine fuels, understanding the combustion chemistry is urgently required. However, due to computation limitations, detailed kinetic models cannot be used in numerical engine simulations. As an alternative, approaches for developing reduced reaction mechanisms have been proposed. Nevertheless, existing simplified methods neglecting the real engine combustion processes, which is the ultimate goal of reduced mechanism. In this study, we propose a novel simplified approach based on fuel reactivity. The high-reactivity fuel undergoes pyrolysis first, followed by the pyrolysis and oxidation of the low-reactivity fuel. Therefore, the simplified mechanism consists of highly lumped reactions of high-reactivity fuel, radical reactions of low-reactivity fuel and C0-C2 core mechanisms.