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Technical Paper

A Kinetic Modeling and Engine Simulation Study on Ozone-Enhanced Ammonia Oxidation

2023-10-31
2023-01-1639
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.
Technical Paper

A Novel Approach to Constructing Reactivity-Based Simplified Combustion Model for Dual Fuel Engine

2023-10-31
2023-01-1627
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.
Technical Paper

Influence of Co-Cations on the Performance and Hydrothermal Stability of Cu/SSZ-13 Catalysts

2020-04-14
2020-01-1317
This research focuses on co-cations modified Cu-zeolite catalyst CuCe/SSZ-13. The NOx conversion and hydrothermal stability of fresh and aged Cu/SSZ-13 and CuCe/SSZ-13 were evaluated to conclude the impact of Ce on the zeolite stability and mechanism of NH3-SCR reaction. For fresh samples, CuCe/SSZ-13 exhibited more than 80% efficiency at 225 °C to 600 °C, and showed higher NOx conversion below 225 °C and above 450 °C than Cu/SSZ-13. For aged catalysts, CuCe/SSZ-13 exhibited higher efficiency at all test temperatures than Cu/SSZ-13, and exhibited over 80% conversion at 225 °C to 350 °C, whereas, that was only 250 °C to 300 °C over fresh Cu/SSZ-13 sample. Furthermore, the effect of co-cation Ce on the phase structure changes, acid sites, redox capacity, transformation of various Cu species, and framework stability of the samples were evaluated by several techniques, such as TPD, TPO, TPR, BET, and XRD.
Technical Paper

Experimental and Kinetic Analyses of Thermochemical Fuel Reforming (TFR) with Alcohol Enrichment in Plug Flow Reactor: a Verification of In-Cylinder TFR

2017-10-08
2017-01-2278
In-cylinder thermochemical fuel reforming (TFR) in spark ignition natural gas engine was developed to reveal that thermochemical fuel reforming could increase H2 and CO concentration in reformed gas, leading to an increase of thermal efficiency and engine performance. Moreover, ethanol enrichment has been proved to have great potential to optimize TFR performance. In order to explain TFR phenomenon chemically, methane oxidation experiments were conducted in a laminar flow reactor with addition of ethanol and methanol at equivalent ratios of 1.5, 1.7, 1.9 and 2.1 from 948K to 1098K at atmospheric pressure. Experimental results showed that methanol have great ability to facilitate the oxidation of methane than that of ethanol. Meanwhile, the degree of methane conversion became more significantly as the equivalent ratio increased. Kinetic analysis of oxidation of methane with alcohol enrichment in a plug flow model was also conducted in this study.
Technical Paper

Development and Validation of a Binary Surrogate Model for Biodiesel

2017-10-08
2017-01-2326
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.
Technical Paper

Partial Premixing Effects on the Evolution of Soot Morphology and Nanostructure in Co-Flow Flames of a Biodiesel Surrogate

2017-10-08
2017-01-2397
Biodiesel is a potential alternative fuel which can meet the growing need for sustainable energy. Partially premixed compression ignition (PPCI) is an important low-temperature combustion strategy to reduce NOx and soot emission of diesel engines. To investigate partial premixing impact on particle formation in flames of biodiesel or biodiesel surrogates, an experimental study was performed to compare the soot morphology and nanostructure evolution in laminar co-flow methyl decanoate non-premixed flame (NPF) and partially premixed flame (PPF). The thermophoretic sampling technique was used to capture particles along flame centerlines. Soot morphology information and volume fraction were obtained from TEM analysis and nanostructure features were evaluated by HR-TEM. With primary equivalence ratio of 19, gas temperature of PPF is higher along flame centerline compared with NPF. The results show an initially stronger sooting tendency in PPF at lower positions.
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