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1.
J Phys Chem A ; 127(1): 286-299, 2023 Jan 12.
Artigo em Inglês | MEDLINE | ID: mdl-36580040

RESUMO

Bio-hybrid fuels are a promising solution to accomplish a carbon-neutral and low-emission future for the transportation sector. Two potential candidates are the heterocyclic acetals 1,3-dioxane (C4H8O2) and 1,3-dioxolane (C3H6O2), which can be produced from the combination of biobased feedstocks, carbon dioxide, and renewable electricity. In this work, comprehensive experimental and numerical investigations of 1,3-dioxane and 1,3-dioxolane were performed to support their application in internal combustion engines. Ignition delay times and laminar flame speeds were measured to reveal the combustion chemistry on the macroscale, while speciation measurements in a jet-stirred reactor and ethylene-based counterflow diffusion flames provided insights into combustion chemistry and pollutant formation on the microscale. Comparing the experimental and numerical data using either available or proposed kinetic models revealed that the combustion chemistry and pollutant formation differ substantially between 1,3-dioxane and 1,3-dioxolane, although their molecular structures are similar. For example, 1,3-dioxane showed higher reactivity in the low-temperature regime (500-800 K), while 1,3-dioxolane addition to ethylene increased polycyclic aromatic hydrocarbons and soot formation in high-temperature (>800 K) counterflow diffusion flames. Reaction pathway analyses were performed to examine and explain the differences between these two bio-hybrid fuels, which originate from the chemical bond dissociation energies in their molecular structures.


Assuntos
Dioxolanos , Poluentes Ambientais , Hidrocarbonetos Policíclicos Aromáticos , Dioxolanos/análise , Hidrocarbonetos Policíclicos Aromáticos/análise , Dioxanos/análise
2.
ACS Omega ; 7(6): 5340-5349, 2022 Feb 15.
Artigo em Inglês | MEDLINE | ID: mdl-35187349

RESUMO

Aiming to achieve the highest combustion efficiency and less pollutant emission, a catalytic coating for cylinder walls in internal combustion engines was developed and tested under several conditions. The coating consists of a La0.8Sr0.2CoO3 (LSCO) catalyst on an aluminum-based ceramic support. Atomic force microscopy was applied to investigate the surface roughness of the LSCO coating, while in situ diffuse infrared Fourier transform spectroscopy was used to obtain the molecular understanding of adsorption and conversion. In addition, the influence of LSCO-coated substrates on the flame quenching distance was studied in a constant-volume combustion chamber. Investigations conclude that an LSCO coating leads to a reduction of flame quenching at low wall temperatures but a negligible effect at high temperatures. Finally, the influence of LSCO coatings on the in-cylinder wall-near gas composition was investigated using a fast gas sampling methodology with sample durations below 1 ms. Ion molecule reaction mass spectrometry and Fourier transform infrared spectroscopy revealed a significant reduction of hydrocarbons and carbon monoxide when LSCO coating was applied.

3.
ChemSusChem ; 14(23): 5254-5264, 2021 Dec 06.
Artigo em Inglês | MEDLINE | ID: mdl-34623036

RESUMO

Model-based fuel design can tailor fuels to advanced engine concepts while minimizing environmental impact and production costs. A rationally designed ketone-ester-alcohol-alkane (KEAA) blend for high efficiency spark-ignition engines was assessed in a multi-disciplinary manner, from production cost to ignition characteristics, engine performance, ecotoxicity, microbial storage stability, and carbon footprint. The comparison included RON 95 E10, ethanol, and two previously designed fuels. KEAA showed high indicated efficiencies in a single-cylinder research engine. Ignition delay time measurements confirmed KEAA's high auto-ignition resistance. KEAA exhibits a moderate toxicity and is not prone to microbial infestation. A well-to-wheel analysis showed the potential to lower the carbon footprint by 95 percent compared to RON 95 E10. The findings motivate further investigations on KEAA and demonstrate advancements in model-based fuel design.

4.
Materials (Basel) ; 12(23)2019 Nov 29.
Artigo em Inglês | MEDLINE | ID: mdl-31795310

RESUMO

The primary goal of this work is to understand the deformation behavior of an aluminum alloy (Al) workpiece by using a rapid compression machine (RCM). The primary novelty in this work is that this is the first study on sheet metal forming using RCM. Numerical simulation and experimental results are in excellent agreement, e.g., the dome-shape, the maximum height, the final outer diameter, and the thickness distribution of the deformed workpiece. We demonstrate that the maximum deformation height grows linearly with the peak pressure with an intercept tending to zero. The proposed linear relationship can be effectively used for designing new components for a specific application. Moreover, the proposed numerical model was competent in reproducing the experimental results of damage initiation and evolution in case of high peak pressure as well as the initial misalignment of the workpiece. The results of this investigation revealed that a rapid compression machine can be utilized efficiently for the controlled forming of complex shapes of metal sheets.

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