K. Brezinsky

K. Brezinsky
University of Illinois at Chicago | UIC · Department of Mechanical and Industrial Engineering

PhD

About

133
Publications
7,089
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4,118
Citations
Citations since 2017
8 Research Items
1314 Citations
2017201820192020202120222023050100150200250
2017201820192020202120222023050100150200250
2017201820192020202120222023050100150200250
2017201820192020202120222023050100150200250

Publications

Publications (133)
Article
Derived cetane number (DCN) is an important fuel property relevant to ignition in compression ignition engines. The measurement of IR spectra of neat liquid fuels along with robust models for DCN potentially opens pathways for DCN sensing using miniaturized sensors for engine control. For neat liquid fuels, there are practical measurement difficult...
Article
Global climate change and rising crude oil prices have motivated search of clean, sustainable and economic fuel. Methane, having the highest hydrogen to carbon ratio is ideally the best option towards carbon neutral emissions and reduce greenhouse gas emissions. However, there the economic benefits are minimal when using pure methane because of pur...
Article
Oxidation of alcohol to jet (ATJ)/n‐heptane blends was studied over a wide range of test conditions, using single pulse shock tubes. Test conditions were designed to study the effect of pressure (4 and 50 bar), and fuel loading (∼100 to 1400 ppm) on the oxidation of the blends across a wide range of temperatures (800–1300 K). These effects were obs...
Article
An experimental shock tube study of natural gas (NG) oxidation for several NG samples was carried out at nominal reaction pressures of 50–60 atm and temperatures ranging from 1100 to 1750 K over a nominal reaction time of 2.5 ms. As NG has no standard specified composition, various samples of NGs taken from the gas supply system across the United S...
Article
Full-text available
The pyrolysis of the hex-5-en-1-yl radical was studied with the use of 6-bromo-1-hexene as the precursor. Shock tube experiments were completed at high pressures (40, 100, and 200 bar) and temperatures (900 to 1450 K) with dilute mixtures of 6-bromo-1-hexene (approximately 160 ppm) to determine whether a variation of the experimental pressure has a...
Article
Full-text available
A high‐pressure and temperature cyclohexane pyrolysis shock tube study was completed with the goal of extending the experimental cyclohexane pyrolysis data to pressures relevant to current and future combustors and to investigate whether ring contraction products observed in high‐pressure, supercritical phase cyclohexane and cycloalkane pyrolysis e...
Article
A typical Jet A fuel was pyrolyzed in a high-pressure shock tube at 25 and 90 atm under highly diluted conditions from 900 to 2200 K. The key species produced from the pyrolysis process were measured by gas chromatography as a function of the shock temperature. It was found that despite the compositional complexity of the fuel, the major pyrolysis...
Article
The high pressure and temperature oxidation of methyl trans-2-nonenoate, methyl trans-3-nonenoate, 1-octene, and trans-2-octene are investigated experimentally in order to probe the influence of the double bond position on the chemical kinetics of long esters and alkenes. Single pulse shock tube experiments are performed in the range of p = 3.8-6.2...
Article
We apply a Bayesian parameter estimation technique to a chemical kinetic mechanism for n-propylbenzene oxidation in a shock tube to propagate errors in experimental data to errors in Arrhenius parameters and predicted species concentrations. We find that, to apply the methodology successfully, conventional optimization is required as a preliminary...
Article
High pressure, single pulse shock tube oxidation experiments were conducted in order to probe the chemical kinetic effects of the double bond position in long alkenes. All oxidation experiments were carried out with approximately 100 ppm of 1-decene, cis-2-decene, cis-5-decene, and trans-5-decene, in argon, at stoichiometric conditions. The experim...
Article
High pressure n-decane and n-dodecane shock tube experiments were conducted to assist in the development of a Jet A surrogate kinetic model. Jet A is a kerosene based jet fuel composed of hundreds of hydrocarbons consisting of paraffins, olefins, aromatics and naphthenes. In the formulation of the surrogate mixture, n-decane or n-dodecane represent...
Article
High pressure iso-octane shock tube experiments were conducted to assist in the development of a Jet A surrogate kinetic model. Jet A is a kerosene based jet fuel composed of hundreds of hydrocarbons consisting of paraffins, olefins, aromatics and naphthenes. In the formulation of the surrogate mixture, iso-octane represents the branched paraffin c...
Article
The high pressure and high temperature kinetics of n-propylbenzene pyrolysis were investigated in the High Pressure Single Pulse Shock Tube at University of Illinois at Chicago. Experiments were performed at a nominal pressure of 50 atm, with the temperatures ranging from 1027 to 1678 K. A variety of stable species ranging from aliphatic hydrocarbo...
Article
Most liquid fuels contain compounds with one or more unsaturated C═C bonds. Previous studies have observed that the fuel reactivity and ignition behavior are strongly influenced by the presence and number of double bonds in the fuel molecular structure. Here, we report a numerical investigation on the effect of fuel unsaturation on PAHs and soot em...
Chapter
Shock tubes are vital experimental tools that are used to study high temperature gas-phase kinetics and shock tube research accounts for most of the high temperature experimental data relevant to combustion. Several shock tube techniques are briefly discussed and references to prior more detailed reviews supplied. The use of shock tube techniques t...
Article
Recombination and disproportionation of allyl radicals has been studied in a single pulse shock tube with gas chromatographic measurements at 1-10 bar, 650-1300 K, and 1.4-2 ms reaction times. 1,5-hexadiene and allyl iodide were used as precursors. Simulation of the results using derived rate expressions from a complementary diaphragmless shock tub...
Article
Single pulse shock-tube experiments were conducted examining how ignition delay may be influenced by the interactive chemistry of fuels and their pyrolytic and oxidative decomposition products. Ignition delay was not measured directly but is assumed to be positively correlated to the temperature (above 1000 K) at which CO2 is formed in constant tim...
Article
Jet A POSF 4658 and n-dodecane/iso-octane/n-propylbenzene/1,3,5-trimethylbenzene (2nd generation surrogate) oxidation experiments were conducted in a shock tube at high pressures and at fuel lean and rich conditions to verify if the formulated surrogate fuel emulates the combustion characteristics of the jet fuel. A model was developed for the 2nd...
Article
Various engine and shock tube studies have observed increased NOx emissions from the combustion of biodiesels relative to regular diesel and linked them to the degree of unsaturation or the number of double bonds in the molecular structure of long-chain biodiesel fuels. We report herein a numerical investigation on the structure and emission charac...
Article
The recombination of allyl, C3H5, an important long-lived radical, has been studied in a diaphragmless shock tube using laser schlieren densitometry (P2 = 10, 30, 60, 120 Torr, 800 < T2 < 1700 K). Allyl was generated both from allyl iodide and 1,5-hexadiene precursors in mixtures of 0.5-4%, dilute in Kr, and excellent agreement was observed using b...
Article
The high pressure and high temperature kinetics of the 1,3,5-trimethylbenzene oxidation were investigated in the High Pressure Single Pulse Shock Tube at University of Illinois at Chicago. Experiments were performed at nominal reflected shock pressures of 20 and 50 atm, for three different equivalence ratios (Ф = 0.51, 0.95 and 1.86) and for a temp...
Article
A methodology for the formulation of surrogate fuels for the emulation of real fuel gas phase combustion kinetic phenomena pertinent to gas turbine combustion is described and tested. A mixture of n-dodecane/iso-octane/1,3,5-trimethylbenzene/n-propylbenzene is formulated in a predictive manner to exhibit the same gas phase combustion phenomena of a...
Article
An experimental investigation of phenyl radical pyrolysis and the phenyl radical + acetylene reaction has been performed to clarify the role of different reaction mechanisms involved in the formation and growth of polycyclic aromatic hydrocarbons (PAHs) serving as precursors for soot formation. Experiments were conducted using GC/GC-MS diagnostics...
Article
The implementation of techniques aimed at improving engine performance and reducing particulate matter (PM) pollutant emissions is strongly influenced by the limited understanding of the polycyclic aromatic hydrocarbons (PAH) formation chemistry, in combustion devices, that produces the PM emissions. New experimental results which examine the forma...
Article
The high pressure and temperature kinetics of n-propylbenzene oxidation were investigated in the High Pressure Single Pulse Shock Tube at University of Illinois at Chicago. Experiments were performed at nominal reflected shock pressures of 25 and 50 atm, with the temperatures ranging from 838 to 1669 K and for an equivalence ratio of 0.5–1.9. A var...
Article
Several engine studies have observed higher amounts of nitric oxide (NO) during the combustion of biodiesel fuels than from regular diesel. One hypothesis for the increased NO formation is that unsaturated components in biodiesel fuels produce higher amounts of acetylene, especially during fuel-rich oxidation, which results in higher prompt NO. In...
Conference Paper
We report herein a numerical investigation on NOx and PAH emissions in n-heptane and 1-heptene partially premixed flames (PPFs). These two fuels represent the hydrocarbon side chain of the two saturated and unsaturated surrogate biodiesel esters, methyl-octanoate (C9:0) and methyl-octenoate (C9:1), respectively. The major objective is to examine as...
Article
Recent theoretical investigations of the radical/π-bond addition between single-ring aromatic hydrocarbons highlight the importance of this category of reactions for the formation of PAH intermediates and soot. The present investigation extends the theory of the radical/π-bond addition reactions to the o-benzyne + cyclic C(5) hydrocarbons systems....
Article
Heterogeneous reactions involving graphite particles reacting with gaseous carbon dioxide and steam were studied under high-pressure and high-temperature conditions. The high-pressure shock tube facility at the University of Illinois at Chicago was utilized to perform the heterogeneous experiments with post-shock pressures ranging from 209 to 363at...
Article
Part 1 of this two part series presented a chemical kinetic model for the simulation of high pressure shock tube pyrolysis and oxidation data of two representative biodiesel surrogate components and the application of this model for predicting prompt NO at practical diesel combustion conditions. The present work discusses in greater detail the mode...
Article
Pyrolysis and oxidation experiments have been conducted on two representative biodiesel surrogate components, methyl octanoate (C9:0) and methyl trans-2-octenoate (C9:1), using the UIC High-Pressure Shock Tube (HPST). The nominal experimental pressures ranged from 27atm to 53atm and temperatures varied from 900 to 1450K with nominal reaction times...
Article
The experimental investigations performed in the 1960s on the o-benzyne + benzene reaction as well as the more recent studies on reactions involving π-electrons highlight the importance of π-bonding for different combustion processes related to PAH's and soot formation. In the present investigation radical/π-bond addition reactions between single-r...
Article
The oxidation of m-xylene has been studied behind reflected shock waves using the single pulse shock tube at University of Illinois at Chicago. Experiments were performed at nominal high pressures of 25 and 50 atm and for a temperature range of 1024–1632 K, at fuel lean, stoichiometric and fuel rich conditions (Φ = 0.53, 1, 2.35). A variety of stab...
Article
Pyrolysis experiments on n-heptane, 1-heptene and 1,6-heptadiene have been performed using the UIC High-Pressure Shock Tube (HPST) at pressures relevant to diesel combustion systems. The experimental pressures for these experiments ranged from 25 to 50atm and temperatures varied from 1000 to 1350K with reaction times ranging from 1 to 3ms. Dilute r...
Article
The heterogeneous reactions of solid carbon reacting with gaseous carbon dioxide and steam have been studied under high-pressure and high-temperature conditions. The high-pressure shock tube facility at the University of Illinois at Chicago was used to perform experiments with post-shock pressures ranging from 40 to 412 atm, temperatures ranging be...
Article
The water-gas shift reaction influences the chemistry between the postcombustion gases of a rocket and the rocket's graphite nozzle. The rocket's operating pressures (70-600 atm) exceed those for existing water-gas shift reaction data, and further study of the chemistry undersimilar conditions is essential for optimum rocket design. To investigate...
Chapter
Combustion synthesis experiments in a fluidized bed have been conducted using nitrogen as the fluidizing gas for the formation of transition metal nitrides that are potential replacements for traditional hydrodenitrogenation and hydrodesulphurization catalysts. the microwave assisted ignition of reaction has been investigated for its potential to p...
Article
The mutual sensitization of the oxidation of NO and a CH(4)-C(2)H(6) (10 : 1) simulated natural gas (NG) blend was studied under fuel lean conditions (Phi = 0.5) at 50 atm and 1000-1500 K in the UIC high pressure shock tube (HPST). New experimental results were also obtained for the mutual sensitization of methane and the NG blend in the CNRS jet s...
Article
The high pressure oxidation of dilute CO mixtures doped with 150–200 ppm of H2 has been studied behind reflected shock waves in the UIC high pressure single pulse shock tube. The experiments were performed over the temperature range from 1000 to 1500 K and pressures spanning 21–500 bars for stoichiometric (Φ = 1) and fuel lean (Φ = 0.5) oxidation....
Article
It is clear that since the development and validation of one of the most comprehensive and widely used models for Methane and Natural Gas Combustion, GRIMECH 3.0, there have been a number of fundamental studies that have led to the revision of thermochemical parameters for key species (OH, HO2) and rate parameters for key reactions involved in H2/C...
Article
The heterogeneous reaction C(s)+CO2 has been studied under high pressure and high temperature conditions. The high-pressure shock tube (HPST) facility at the University of Illinois at Chicago was utilized to perform experiments with post-shock pressures ranging from 35-412 atm and a temperature range between 1475-2658 K with reaction times lasting...
Article
Pyrolysis experiments on n-heptane, 1-heptene and 1,6-heptadiene have been performed using the UIC High Pressure Shock tube (HPST) at pressures relevant to diesel combustion systems. The experimental pressures for these experiments ranged from 25-50 atm and temperatures varied from 1000-1350K with reaction times ranging from 1-2 ms. Dilute reagent...
Article
The role of diacetylene as a soot precursor and the importance of its chemistry in the chemistry of larger aromatic hydrocarbons have been postulated but not thoroughly investigated experimentally. The absence of experimental data for the pyrolysis of diacetylene at high pressures has led to incomplete validation of existing diacetylene models at p...
Article
The water gas shift reaction (WGSR) influences the chemistry between the post-combustion gases of a rocket and the rocket's graphite nozzle. The rocket's operating pressures (70-600 atm) exceed those for existing WGSR data and further study of the chemistry under similar conditions is essential for optimum rocket design. In order to investigate the...
Article
The mutual sensitization of the oxidation of NO and a CH4-C2H6 (10:1) blend (NG) was studied under fuel lean conditions (Φ=0.5) at 50 atm and 1000-1500 K in the UIC high pressure shock tube (HPST). New experimental results were also obtained for the mutual sensitization of methane and the NG blend in the CNRS Jet Stirred Reactor (JSR) at 10 atm. A...
Article
The pyrolysis of toluene, the simplest methyl-substituted aromatic molecule, has been studied behind reflected shock waves using a single pulse shock tube. Part 1 in this two-part series focused on the high-pressure experimental results and the high-pressure limiting rate coefficients for the primary steps in toluene decomposition. The present work...
Article
The pyrolysis of toluene, the simplest methyl-substituted aromatic molecule, has been studied behind reflected shock waves using a single pulse shock tube. Experiments were performed at nominal high pressures of 27 and 45 bar and spanning a wide temperature range from 1200 to 1900 K. A variety of stable species, ranging from small hydrocarbons to s...
Article
1,2,4,5-Hexatetraene (1245HT) is, according to theory, a key intermediate to benzene from propargyl radicals in a variety of flames; however, it has only been experimentally observed once in previous studies of the C3H3 + C3H3 reaction. To determine if it is indeed an intermediate to benzene formation, 1245HT was synthesized, via a Grignard reactio...
Article
The self-reaction of propargyl (C3H3) radicals has been widely suggested as one of the key routes forming benzene in a variety of aliphatic flames. Currently, in the majority of aromatic models, the C3H3 + C3H3 submechanism often contains one or two C6H6 isomers and a few global reaction steps, which do not adequately represent the actual recombina...
Article
Chemical kinetic simulations that more accurately consider reaction conditions behind reflected shock waves in a high pressure shock tube have been conducted by accounting for (1) time-dependent temperature and pressure variations in contrast to assuming constant temperature and pressure, (2) the inclusion of reactions during quenching by cooling i...
Article
The high-temperature, high-pressure pyrolysis of the prototype aromatic, benzene, has been studied behind reflected shock waves in the UIC High Pressure Single Pulse Shock Tube. Three sets of experiments were performed at nominal pressures of 30 and 50 bars in the high temperature regime from 1200–1800 K. Stable species sampled from the shock tube...
Article
We have investigated the isomeric C6H6 product distributions of the self-reaction of propargyl (C3H3) radicals at two nominal pressures of 25 and 50 bar over the temperature range 720-1350 K. Experiments were performed using propargyl iodide as the radical precursor in a high-pressure single-pulse shock tube with a residence time of 1.6-2.0 ms. The...
Article
An iterative physically bounded Gauss-Newton (PGN) method has been formulated to estimate unknown kinetic parameters from experimental measurements. A physically bounded approach is adopted to reduce the size of the search space and ensure search within physically meaningful ranges of kinetic rates. First-order sensitivity information of state vari...
Article
An extensive experimental study of ethane oxidation and pyrolysis has been conducted in the high pressure shock tube at UIC covering reflected shock pressures from 5–1000 bar, reaction temperatures up to 1550 K and stoichiometric (Φ = 1), fuel rich (Φ = 5), and pyrolytic mixtures. The experimental data has been used to develop a single model that c...
Article
Density functional theory (DFT) has been used along with isodesmic reaction schemes to estimate heats of formation for aromatics and polynuclear aromatic hydrocarbons (PAHs). Calculations have been performed for 42 molecules, 12 of which have uncertain or unknown experimental values, using the B3-LYP functional with the small 6-31G(d) basis set. He...
Article
An extensive experimental study of ethane oxidation and pyrolysis has been conducted in the high pressure shock tube at UIC covering reflected shock pressures from 5-1000 bar, reaction temperatures up to 1550 K and stoichiometric (Φ = 1 ), fuel rich (Φ = 5), and pyrolytic mixtures. The experimental data has been used to develop a single model that...
Article
A detailed chemical kinetic model has been developed to predict the oxidation of toluene in the high temperature regime (1200–1500K) over wide pressure ranges (25–610bar) based on experimental data obtained in the high pressure single pulse shock tube at the University of Illinois at Chicago. The experimental data were obtained at pressures of 25,...
Article
Combustion synthesis experiments in a fluidized bed have been conducted using nitrogen as the fluidizing gas for the formation of transition-metal nitrides that are potential replacements for traditional hydrodenitrogenation and hydrodesulfurization catalysts. The microwave-assisted ignition of reaction has been investigated for its potential to pr...
Article
The high-pressure single pulse shock tube (HPST) at the University of Illinois at Chicago has been used to study the oxidation of toluene at reflected shock pressures from 22 to 550 bar and temperatures from 1210 to 1480 K. Experiments were performed for dilute stoichiometric, Φ=1Φ=1, and rich, Φ=5Φ=5, reagent mixtures. Stable species were analyzed...
Article
Isomeric C{sub 6}H{sub 6} species produced by high-pressure shock tube pyrolysis of 1,5-hexadiyne have been investigated by gas chromatography-matrix isolation FTIR spectroscopy-mass spectrometry. In addition to benzene (stable end product) and 1,5-hexadiyne (starting material), six isomeric C{sub 6}H{sub 6} species have been identified on the basi...
Article
The pyrolysis of 1,5-hexadiyne has been studied in a high-pressure single pulse shock tube to investigate the mechanisms involved in the production of benzene from propargyl radicals. Analysis of the reaction products by gas chromatography and matrix isolation Fourier transform infrared spectroscopy has positively identified six linear C6H6 species...
Article
Computer-aided detailed kinetic model development has been of increasing interest for combustion scientists and engineers. An automatic computer aided optimization technique that estimates rate coefficients and determines optimal model parameters from experimental data was developed. The method is based on the solution of the non-linear dynamic con...
Article
Combustion synthesis experiments have been conducted in a fluidied bed, using nitrogen asthe fluidizing gas, for the formation of transition-metal nitrides. These nitrides can be potential replacements for traditional hydrodenitrogenation and hydrodesulfurization catalysts that are currently used in hydrocarbon fuel processing. To augment the produ...
Conference Paper
A high-pressure, single-pulse shock tube was used to study the oxidation of ethane/oxygen mixtures, φ = 1 and φ = 5, between 1000 and 1400 K at reaction pressures of 40 bar. Gas Chromatographic techniques were used to quantify the major stable species formed in the reactions. The experimental data were simulated using two models for ethane combusti...
Article
Full-text available
Experiments employing electron scavenging methods and high performance liquid chromatography with mass spectrometry detection indicate that electrons, formed via one-photon ionization, guanine (G) and small amounts of 8-oxo-2‘-deoxyguanosine (8-oxo-dG) are formed during 254 nm irradiation of deaerated alkaline 2‘-deoxyguanosine (dG) solutions conta...
Article
A unique high-pressure single pulse shock tube has been used to obtain the first experimental data for ethane oxidation and pyrolysis at very high pressures and temperatures. Experiments were performed at two nominal reaction pressures of 340 bar and 613 bar in the temperature range 1050 K to 1450 K. The major stable species were identified and the...
Article
Two chemical thermometers, 1,1,1-trifluoroethane and cyclohexene, have been used to calibrate the temperatures behind reflected shock waves, T5real, in a unique high-pressure, single-pulse shock tube. Experiments with 1,1,1-trifluoroethane were performed at nominal postshock pressures of 5000 psi and 9000 psi, and T5real was calculated from the ext...
Article
A single pulse shock tube has been designed and constructed in order to achieve extremely high pressures and temperatures to facilitate gas-phase chemical kinetic experiments. Postshock pressures of greater than 1000 atmospheres have been obtained. Temperatures greater than 1400 K have been achieved and, in principle, temperatures greater than 2000...
Article
A detailed experimental study of the self-propagating high-temperature synthesis of titanium nitride was conducted to improve the conversion yield and illustrate the mechanism of formation of titanium nitride. The investigation was performed at atmospheric pressure, room temperature, and normal gravity conditions in a fluidized bed of gaseous nitro...
Article
A chemical kinetic model has been developed to predict the high-temperature (1200 K) oxidation of neat toluene, neat butane (CH3CH2CH2CH3), and toluene-butane blends in an atmospheric-pressure flow reactor. Because the chemical interactions of toluene and butane would be indicative of those that occur in practical fuel blends, an extensive experime...
Article
Pathways of aromatic fuel oxidation have revealed the importance of phenol chemistry and motivated this study to obtain the very first stable intermediate species profiles for the atmospheric pressure oxidation of phenol near 1170 K over a range of equivalence ratios, 0.64−1.73. Under these conditions, cyclopentadiene was found to be a major reacti...
Article
Supercritical pyrolysis mechanisms of potential endothermic fuels and hydrogen donor additives decahydronaphthalene (decalin) and tetrahydronaphthalene (tetralin) were examined in a specially constructed silica–lined flow reactor in which pressure and temperature were varied independently. Pressure and temperature were varied over ranges of 700—810...
Article
Experiments near 1000 K have revealed the thermal decomposition of anisole to proceed exclusively via homolysis of the O−CH3 bond. The anisole decay was observed to be first order even in the presence of oxygen. The distribution of reaction intermediates was virtually independent of equivalence ratio, φ ≡ ([anisole]/[O2])/([anisole]/[O2])stoichiome...
Article
High-temperature (1050–1200 K) pyrolysis studies of pure methylcyclohexane (MCH) and oxidation studies of pure MCH and MCH/toluene blends were performed in the Princeton Turbulent Flow Reactor. Since MCH is a proposed endothermic jet fuel, as well as a possibly significant constituent of current commercial automotive and aviation fuel blends, high-...
Article
1-Methylnaphthalene exhibits first-order decay during early extents of oxidation in a flow reactor at approximately 1200 K. Using temporal profiles of measured stable intermediate species and reaction path analysis, estimates are made of the radical species mole fractions that necessarily exist near steady state under these conditions. The radical...
Article
To emphasize the scientific and technological challenges still remaining in combustion synthesis, this review highlights three classes of combustion processes for nonoxide refractory solids, especially ceramies, that involve the gas phase during synthesis. In one synthesis process, where the reactants are all gases, simultaneous control of powder p...
Article
To increase the interstitial mass loading of nitrogen for enhanced product yield in the self-propagating, high-temperature synthesis (SHS) of metallic nitrides, the synthesis was conducted in cryogenic nitrogen at supercritical states just above the critical point. This state regime has the unique characteristic that the density increases significa...
Article
Detailed intermediate species profiles for the oxidation of 1-methylnaphthalene have been obtained by gas-phase sampling from an atmospheric-pressure flow reactor operating at about 1170 K. These are the first detailed oxidation results reported for any polycyclic aromatic hydrocarbon, despite the presence of these compounds in many practical fuels...
Article
The ongoing study of aromatic compounds in the Princeton Turbulent Flow Reactor has indicated that the cyclopentadienyl radical plays a key role in their high temperature oxidation chemistry. It is likely that cyclopentadiene chemistry plays an important role in the combustion of all aromatic species; knowledge of its oxidation characteristics is c...
Article
An improved kinetic model for the high-temperature oxidation of toluene has been developed using previously established reaction mechanisms for benzene and toluene. The model is compared to benzene and toluene flow reactor experiments near 1100 and 1200 K, respectively. Fuel decay rates and many intermediate species profiles are reproduced successf...
Article
Based on atmospheric pressure flow reactor measurements at about 1150 K, a mechanism is proposed for the oxidation of ortho-xylene that includes both the simultaneous and sequential oxidation of the methyl side chains. Fuel consumption through ring reactions is argued to be secondary to reactions of the side chains. The formation of o-xylylene (5,6...
Article
Measurements of hydroxyl radical concentration in dilute mixtures of carbon monoxide, water, and oxygen reacting in a bath of nitrogen at temperatures ranging from 989 to 1115 K and a pressure of 1 atm are reported. The measurements were made in a turbulent flow reactor using both laser absorption and laser-induced fluorescence techniques. Continuo...
Article
Mechanisms for the oxidation of m- and p-xylene were developed with the aid of atmospheric flow reactor tests at temperatures ranging from 1093 to 1199 K and equivalence ratios from 0.47 to 1.7. The experimental data suggested that m-xylene is oxidized by sequential oxidation and removal of the methyl side chains while p-xylene reacts through simul...
Article
The design and validation are described of an optical probe for measurements of parts per million OH concentrations in actual combustion environments (1100 K, 1 atm).
Chapter
Equilibrium thermodynamic calculations of adiabatic flame temperatures and species concentration for the reactions of Ti, Si, and Al with nitrogen at a variety of pressures and stoichiometries have revealed interesting characteristics similar to metal-oxygen reactions. The results suggest the feasibility of continuous formation of the refractory ni...
Article
The use of NO2 for chemical kinetic analysis has been extended to the simplest of the alkylbenzenes—toluene. The results of a series of toluene oxidation experiments performed with and without NO2 and over a range of initial oxygen concentrations have not only confirmed the conclusions of a prior series of benzene oxidation experiments but also add...
Article
By altering the O, H and OH radical concentrations through the addition of NO2 to benzene oxidation studies in a flow reactor, it has been shown that the predominate route to the formation of the important intermediate phenoxy radical is by the reaction of phenyl with O2. These studies have also shown that O atom addition to benzene to form phenol...
Article
Phenol pyrolysis has been studied in a turbulent flow reactor by analyzing concentration-time profiles of three major decomposition products: carbon monoxide, cyclopentadiene, and benzene. Experimental conditions were P = 1 atm, T = 1064 − 1162 K, and initial phenol concentrations of 500−2016 ppm. The major experimental observations were that the d...

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