A5065048119- Advanced Combustion Engine Technologies
- Combustion and flame dynamics
- Catalytic Processes in Materials Science
- Heat transfer and supercritical fluids
- Biodiesel Production and Applications
- Combustion and Detonation Processes
- Atmospheric chemistry and aerosols
- Chemical Thermodynamics and Molecular Structure
- Advanced Chemical Physics Studies
- Catalysis and Oxidation Reactions
- Vehicle emissions and performance
- Thermochemical Biomass Conversion Processes
- Rocket and propulsion systems research
- Free Radicals and Antioxidants
- Advanced Physical and Chemical Molecular Interactions
- Nuclear reactor physics and engineering
- Chemical Reaction Mechanisms
- Phase Equilibria and Thermodynamics
- Catalysis for Biomass Conversion
- Organic Chemistry Cycloaddition Reactions
- Quantum, superfluid, helium dynamics
- Advanced Thermodynamics and Statistical Mechanics
- Industrial Technology and Control Systems
- Radical Photochemical Reactions
- Catalytic Alkyne Reactions
Lawrence Livermore National Laboratory
2017-2024
Lawrence Livermore National Security
2018-2020
University of Connecticut
2012-2018
A single-pulse shock tube study of the pyrolysis 2% C2–C6 1-alkenes is presented at 2 bar in temperature range 900–1800 K current study. Reactant, intermediate and product species are obtained quantified using gas chromatography-mass spectrometry (GC–MS) analysis. MS used for identification a flame ionization detector quantification. The experiments show effect carbon chain length on production smaller C1–C3 fragments. new detailed kinetic mechanism, NUIGMech1.0, to simulate data predictions...
There is an increasing demand for kinetic models of surrogate components to predict the combustion and emissions real fuels. In this paper, a new fuel mechanism, C3MechV3.3, proposed by Computational Chemistry Consortium (C3). This mechanism constructed based on C0 – C4 core with important species interest in complex surrogates such as hexane isomers, n-heptane, iso-octane, nC8 nC12 linear alkanes well polycyclic aromatic hydrocarbons (PAHs) NOx pollutants. model consists latest chemistry...
To improve our understanding of the combustion characteristics propyne, new experimental data for ignition delay times (IDTs), pyrolysis speciation profiles and flame speed measurements are presented in this study. IDTs propyne were obtained at equivalence ratios 0.5, 1.0, 2.0 'air' pressures 10 30 bar, over a wide range temperatures (690–1460 K) using rapid compression machine high-pressure shock tube. Moreover, experiments performed single-pulse tube to study 2 bar pressure temperature...
1- and 2-pentene are components in gasoline also used as representative alkene surrogate fuels. Most of the available ignition delay time data literature for these fuels limited to low pressures, high temperatures highly diluted conditions, which limits kinetic model development validation potential Therefore, measurements under engine-like conditions needed provide target understand their low-temperature fuel chemistry extend chemical lower higher pressures. In this study, both a...
A comparative reactivity study of 1-alkene fuels from ethylene to 1-heptene has been performed using ignition delay time (IDT) measurements both a high-pressure shock tube and rapid compression machine, at an equivalence ratio 1.0 in 'air', pressure 30 atm the temperature range 600–1300 K. At low temperatures (< 950 K), results show that 1-alkenes with longer carbon chains higher fuel reactivity, 1-pentene being first negative coefficient (NTC) behavior followed by 1-hexene 1-heptene. high...
<div class="section abstract"><div class="htmlview paragraph">Mixing controlled compression ignition, i.e., diesel engines are efficient and likely to continue be the primary means for movement of goods many years. Low-net-carbon biofuels have potential significantly reduce carbon footprint combustion could advantageous properties combustion, such as high cetane number reduced engine-out particle NO<sub>x</sub> emissions. We developed a list over 400 biomass-derived...
A single-pulse shock tube study of the four pentene isomers is carried out at 2 ± 0.16 bar and 900–1600 K. C1 to C6 species profiles were recorded using gas chromatography mass spectrometry analyses. The are identified quantified by flame ionization detection. High-pressure limiting pressure-dependent rate constants for 2M1B, 2M2B 3M1B + Ḣ calculated RRKM theory with a Master Equation (ME) analysis System Solver, MESS. mechanism was formulated based on rules theoretical calculations....
The most important driving force for development of detailed chemical kinetic reaction mechanisms in combustion is the desire by researchers to simulate practical systems. This paper reviews parallel evolution and applications those models practical, real engines. Early, quite simple, small fuel molecules were extremely valuable analyzing long-standing, poorly understood applied ignition flame quenching problems, later have been much more complex propagation, problems including autoignition...
The continuous development of a core C0 – C4 kinetic mechanism generally involves updating it using reliable kinetics and thermodynamics may also involve the inclusion missing reaction pathways to improve integrity, prediction accuracy applicability over wider range combustion relevant conditions. Accurate descriptions can have substantial influence on accurate predictions higher hydrocarbon models as consumption these larger species rely heavily mechanism. This study is motivated by severe...