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This work proposed a kinetic model for RP-3, the most widely used military-civilian aviation fuel in China. Four hydrocarbons within the typical size of major components in RP-3, i.e., n-dodecane, iso-dodecane (2,2,4,6,6-pentamethylheptane), decalin and n-butylbenzene, were included in the component palette to improve the ability of the surrogate to mimic the properties related to the molecular weight. Seven properties, cetane number, molecular weight, H/C ratio, threshold sooting index, lower heating value, the proportion of -CH 3 and -CH 2 in the total carbons were selected as targets aiming at the comprehensive emulation of the chemical and physical propensities of RP-3. By sequential use of the genetic algorithm and a local search method, a surrogate containing 27.44% n-dodecane, 28.81% iso-dodecane, 26.12% decalin and 17.63% n-butylbenzene by mole was formulated. The autoignition delay times of the surrogate were measured using a heated rapid compression machine at pressures of 10, 15, 20 bar and equivalence ratios of 0.5, 1.0 and 2.0 over low-to-intermediate temperature range. Results show that the surrogate can not only emulate the target properties but also the key non-targeted properties. A kinetic model of 3065 species and 11,898 reactions was then developed based on the proposed surrogate to describe the chemical process during the combustion of RP-3. Simulations show that the model can predict the fundamental combustion datasets in the present work and literature satisfactorily, suggesting the rationality and applicability of the model. Rate of production and evolution histories of OH and HO 2 were then conducted using the kinetic model to provide insight into the combustion of RP-3. Analysis suggests that negative temperature coefficient behavior also exists in the first stage ignition. [ABSTRACT FROM AUTHOR]

An in-depth study of the chemical kinetic mechanism of biodiesels can facilitate accurate prediction of engine combustion and emission characteristics. Surrogate fuel is a feasible method for simulating the combustion chemistry of real biodiesel. Methyl myristate (MMY), one of the main components and a widely used surrogate for biodiesel, was investigated for the autoignition characteristics using a newly heated rapid compression machine (RCM). In this work, the ignition delay times (IDTs) of MMY were measured at compressed pressures of 10/15/20/30 bar with compressed temperatures ranging from 700 K to 900 K, and equivalence ratios varying from 0.3 to 1.25. The experimental observation successfully captured a typical negative temperature coefficient (NTC) phenomenon of IDT. The present experiment is the first one to measure the IDTs of MMY in a RCM, while also marking the first instance of observing the NTC phenomenon in macromolecular fatty acid methyl esters above C10. Besides, a skeletal model for methyl myristate has been developed based on the idea of decoupling methodology. In terms of fuel-dependent reactions, the kinetic model is divided into two parts: high-temperature reactions and low-temperature chain branching reactions. Combined with the experimental and simulation results, the dependence of the IDT of methyl myristate on compressed temperature, compressed pressure, equivalence ratio, and oxygen mole fraction at low-to-intermediate temperature was systematically investigated. The simulation results show that the developed skeletal model captures the ignition delay times well at low-to-intermediate temperatures and accurately predicts both the NTC phenomenon and the corresponding temperature range. Based on this, the key reactions in the combustion of MMY under different conditions were elucidated through sensitivity analysis. Ultimately, the model validation was conducted against the high-temperature IDT data from the literature. The chemical kinetic models of various biodiesels are essential for simulating the working process of internal combustion engines and accurately predicting the combustion and emission characteristics. Among these, the autoignition characteristic is one of the most important parameters for model validation. Besides, the carbon chain length of methyl myristate closely resembles that of real biodiesels, making it an ideal surrogate fuel for biodiesels. In this study, the IDTs of MMY were measured for the first time at low-to-intermediate temperatures in a heated RCM, thereby experimentally confirming the NTC phenomenon of methyl myristate. Additionally, a skeletal model of MMY was developed based on the idea of decoupling methodology, which can accurately predict the autoignition characteristics of MMY at low-to-intermediate temperatures. The simulated values demonstrate good agreement with experimental data. Overall, the present study provides an IDT database for the development and validation of the methyl myristate mechanism. [ABSTRACT FROM AUTHOR]

• Develop a novel parameter-sensitivity method to quantify IDT-dependence. • The addition of methanol has a larger impact on DF autoignition than methane. • Ambient-charge reactivity is significant to optimize the DF-engine performance. • Mixing degree and mixing-time are critical to control the ignition process. • High-T IDT-reduction of Methanol-addition due to CH 3 OH + HO 2 <=> CH 2 OH + H 2 O 2. Dual-fuel (DF) combustion strategies with low-carbon fuels are attractive for the shipping industry because of their better economy and lesser emissions. However, DF ignition process is highly complex and difficult to control due to its strong sensitivities to mixture-states. As such, a comprehensive numerical study was conducted to investigate the influence of thermodynamic states, ambient-fuel reactivity and micro-mixing process on the autoignition characteristics of DF mixtures (methane/ n -heptane and methanol/ n -heptane) under marine engine-relevant conditions. A novel parameter-sensitivity evaluation method by log–log definition was firstly proposed to quantify the ignition-delay-time (IDT) dependence on thermodynamic trajectory and charge reactivity, based on a newly detailed kinetic model (NUIGMech1.1). It was found that the methanol-addition has a larger impact on IDTs than methane, and also exhibits ignition-promoting behaviors at high temperatures. Besides, the IDT displays a higher sensitivity to temperature under methanol/air atmosphere but a higher sensitivity to pressure under methane/air atmosphere, suggesting that methane/diesel DF engines are prone to occur cycle-to-cycle variations under diesel pilot-ignition (DPI) mode while methanol/diesel DF engines exist the larger cycle variations under reactivity-controlled compression-ignition (RCCI) mode. There are small IDT-changes for methane/ n -heptane mixtures with varying ϕ CH4 while large variations for methanol/ n -heptane as varying ϕ CH3OH. Moreover, methanol shows the more significant chemical-effect on ignition. The mixture fraction of methanol-based blends with the shortest IDT, defined as the most-reactive mixture fraction (Z MR), is larger than that of methane at a given temperature. This demonstrates that the mixing degree (the high-reactivity fuel to low-reactivity fuel ratio) plays an important role in controlling the ignition. The mixing-time is also critical for ignition behavior of fuels, and autoignition of methanol/ n -heptane blends exhibits higher sensitivity to mixing rates than methane/ n -heptane. Therefore, adjusting injection parameters could tailor mixing-trajectories to offset changes in fuel autoignition chemistry. Additional reaction sensitivity analyses demonstrate that the OH radicals play a key role in the whole system reactivity at low temperatures, while HO 2 becomes more important at intermediate-temperatures and CH 3 OH + OH <=> CH 2 OH + H 2 O displays the highest ignition-inhibition. Significantly, CH 3 OH + HO 2 <=> CH 2 OH + H 2 O 2 shows a high promoting effect on IDTs at high temperatures, resulting in the IDT-reduction. [ABSTRACT FROM AUTHOR]

Natural gas/diesel dual-fuel (DF) combustion technology has attracted substantial attention in terms of thermal-efficiency improvement and emission reduction in advanced compression ignition engines. As known, autoignition behavior of DF mixtures plays a significant role in controlling the ignition timing and combustion performance in engines. In the present study, ignition delay time (IDT) measurements of methane/diesel mixtures with three varying diesel substitution ratios (denoted as DSR30, DSR50, and DSR70) were conducted on both a heated rapid compression machine and a heated shock tube under wide-range conditions (T = 640–1450 K, p = 6–20 bar, ϕ = 0.7, 1.0, and 2.0 in 'air' mixtures). Experimental results show that DF blends exhibit typical two-stage autoignition characteristics along with the negative temperature coefficient (NTC) response at the temperature region currently investigated, owing to the addition of high-reactivity diesel fuel. Moreover, both the total and first-stage IDTs decrease with the rise of pressure and equivalence ratio as well as diesel substitution ratio. Additionally, a crossover of IDTs occurs at a high temperature (~1400 K) for varying equivalence ratios, and there exists a non-linear promoting effect of diesel contents on IDTs. The simulation results performed using a detailed chemical kinetic mechanism (POLIMI_1412) in conjunction with a well-validated tri-component diesel surrogate show generally good agreement with the experimental results at the current test conditions. Furthermore, species evolution assisted with brute-force sensitivity analysis was carried out to further understand the autoignition chemistry of the DF mixture, particularly the chemical interplay between methane and diesel during the low-temperature ignition processes. It is found that methane hardly generates OH radicals, which are mainly produced via the low-temperature oxidation pathways of diesel fuel. The competition between methane and diesel for OH radicals inhibits the consumption of diesel while promotes the depletion of methane, resulting in an inhibiting impact on the overall reactivity of the reaction system. What's more, the experimental data reported herein provide a foundation for the development of DF kinetic models with high accuracy and robustness. [ABSTRACT FROM AUTHOR]