Developing accurate computational models of wildfire dynamics is increasingly important due to the substantial and expanding negative impacts of wildfire events on human health, infrastructure, and the environment. Wildfire spread and emissions depend on a number of factors, including fuel type, environmental conditions (moisture, wind speed, etc.), and terrain/location.
View Article and Find Full Text PDFThe nascent steps in the pyrolysis of the lignin components salicylaldehyde ( o-HOCHCHO) and catechol ( o-HOCHOH) were studied in a set of heated microreactors. The microreactors are small (roughly 1 mm ID × 3 cm long); transit times through the reactors are about 100 μs. Temperatures in the microreactors can be as high as 1600 K, and pressures are typically a few hundred torr.
View Article and Find Full Text PDFTwo methyl esters were examined as models for the pyrolysis of biofuels. Dilute samples (0.06-0.
View Article and Find Full Text PDFCycloheptatrienyl (tropyl) radical, C7H7, was cleanly produced in the gas-phase, entrained in He or Ne carrier gas, and subjected to a set of flash-pyrolysis micro-reactors. The pyrolysis products resulting from C7H7 were detected and identified by vacuum ultraviolet photoionization mass spectrometry. Complementary product identification was provided by infrared absorption spectroscopy.
View Article and Find Full Text PDFBoth glycolaldehyde and glyoxal were pyrolyzed in a set of flash-pyrolysis microreactors. The pyrolysis products resulting from CHO-CH2OH and HCO-CHO were detected and identified by vacuum ultraviolet (VUV) photoionization mass spectrometry. Complementary product identification was provided by argon matrix infrared absorption spectroscopy.
View Article and Find Full Text PDFAnnu Int Conf IEEE Eng Med Biol Soc
September 2016
Current prostate biopsy cores have a very low diagnostic yield. These biopsies often fail to diagnose prostate cancer since 90% of cores are histopathologically classified as benign. The concentrations of endogenous fluorophores in prostate tissue vary with disease states.
View Article and Find Full Text PDFAnnu Int Conf IEEE Eng Med Biol Soc
August 2016
Prostate tumors are graded by the revised Gleason Score (GS) which is the sum of the two predominant Gleason grades present ranging from 6-10. GS 6 cancer exclusively with Gleason grade 3 is designated as low grade (LG) and correlates with better clinical prognosis for patients. GS >7 cancer with at least one of the Gleason grades 4 and 5 is designated as HG indicate worse prognosis for patients.
View Article and Find Full Text PDFThe thermal decomposition of cyclohexanone (C6H10═O) has been studied in a set of flash-pyrolysis microreactors. Decomposition of the ketone was observed when dilute samples of C6H10═O were heated to 1200 K in a continuous flow microreactor. Pyrolysis products were detected and identified by tunable VUV photoionization mass spectroscopy and by photoionization appearance thresholds.
View Article and Find Full Text PDFSubstituted furans, including furanic ethers, derived from nonedible biomass have been proposed as second-generation biofuels. In order to use these molecules as fuels, it is important to understand how they break apart thermally. In this work, a series of experiments were conducted to study the unimolecular and low-pressure bimolecular decomposition mechanisms of the smallest furanic ether, 2-methoxyfuran.
View Article and Find Full Text PDFChirped-pulse Fourier transform microwave spectroscopy (CP-FTMW) is combined with a flash pyrolysis (hyperthermal) microreactor as a novel method to investigate the molecular structure of cyclopentadienone (C5H4═O), a key reactive intermediate in biomass decomposition and aromatic oxidation. Samples of C5H4═O were generated cleanly from the pyrolysis of o-phenylene sulfite and cooled in a supersonic expansion. The (13)C isotopic species were observed in natural abundance in both C5H4═O and in C5D4═O samples, allowing precise measurement of the heavy atom positions in C5H4═O.
View Article and Find Full Text PDFThe pyrolysis of the benzyl radical has been studied in a set of heated micro-reactors. A combination of photoionization mass spectrometry (PIMS) and matrix isolation infrared (IR) spectroscopy has been used to identify the decomposition products. Both benzyl bromide and ethyl benzene have been used as precursors of the parent species, C6H5CH2, as well as a set of isotopically labeled radicals: C6H5CD2, C6D5CH2, and C6H5 (13)CH2.
View Article and Find Full Text PDFThe thermal decomposition of cyclopentadienone (C5H4═O) has been studied in a flash pyrolysis continuous flow microreactor. Passing dilute samples of o-phenylene sulfite (C6H4O2SO) in He through the microreactor at elevated temperatures yields a relatively clean source of C5H4═O. The pyrolysis of C5H4═O was investigated over the temperature range 1000-2000 K.
View Article and Find Full Text PDFAnnu Int Conf IEEE Eng Med Biol Soc
November 2015
A detailed vibrational analysis of the infrared spectra of cyclopentadienone (C5H4═O) in rare gas matrices has been carried out. Ab initio coupled-cluster anharmonic force field calculations were used to guide the assignments. Flash pyrolysis of o-phenylene sulfite (C6H4O2SO) was used to provide a molecular beam of C5H4═O entrained in a rare gas carrier.
View Article and Find Full Text PDFA silicon carbide microtubular reactor has been used to measure branching ratios in the thermal decomposition of furan, C4H4O. The pyrolysis experiments are carried out by passing a dilute mixture of furan (approximately 0.01%) entrained in a stream of helium through the heated reactor.
View Article and Find Full Text PDFThe thermal decompositions of furfural and benzaldehyde have been studied in a heated microtubular flow reactor. The pyrolysis experiments were carried out by passing a dilute mixture of the aromatic aldehydes (roughly 0.1%-1%) entrained in a stream of buffer gas (either He or Ar) through a pulsed, heated SiC reactor that is 2-3 cm long and 1 mm in diameter.
View Article and Find Full Text PDFA heated SiC microtubular reactor has been used to decompose acetaldehyde and its isotopomers (CH(3)CDO, CD(3)CHO, and CD(3)CDO). The pyrolysis experiments are carried out by passing a dilute mixture of acetaldehyde (roughly 0.1%-1%) entrained in a stream of a buffer gas (either He or Ar) through a heated SiC reactor that is 2-3 cm long and 1 mm in diameter.
View Article and Find Full Text PDFWe have used a heated 2 cm × 1 mm SiC microtubular (μtubular) reactor to decompose acetaldehyde: CH(3)CHO + Δ → products. Thermal decomposition is followed at pressures of 75-150 Torr and at temperatures up to 1675 K, conditions that correspond to residence times of roughly 50-100 μs in the μtubular reactor. The acetaldehyde decomposition products are identified by two independent techniques: vacuum ultraviolet photoionization mass spectroscopy (PIMS) and infrared (IR) absorption spectroscopy after isolation in a cryogenic matrix.
View Article and Find Full Text PDFThe pyrolysis of 2-phenethyl phenyl ether (PPE, C(6)H(5)C(2)H(4)OC(6)H(5)) in a hyperthermal nozzle (300-1350 °C) was studied to determine the importance of concerted and homolytic unimolecular decomposition pathways. Short residence times (<100 μs) and low concentrations in this reactor allowed the direct detection of the initial reaction products from thermolysis. Reactants, radicals, and most products were detected with photoionization (10.
View Article and Find Full Text PDFMolecular dynamics has been used to estimate ionic velocities and electrical conductivity in the ionic liquid 1-ethyl-3-methylimidazolium/tetraflouroborate (EMIM-BF(4)). Both an all-atom and coarse grained force fields were explored. The simulations were carried out at high electric fields where one might expect the Wien effect to become important in conventional electrolytes and that effect is observed.
View Article and Find Full Text PDFThe thermal decomposition of furan has been studied by a 1 mm x 2 cm tubular silicon carbide reactor, C(4)H(4)O + Delta --> products. Unlike previous studies, these experiments are able to identify the initial furan decomposition products. Furan is entrained in either He or Ar carrier gas and is passed through a heated (1600 K) SiC tubular reactor.
View Article and Find Full Text PDFWe describe experiments designed to measure the fraction of nitric oxide molecules that undergo quenching from A 2Sigma+ (nu' = 0) directly to X 2Pi(nu" = 0). This quenching channel was investigated for room temperature collisions with O2, CO, CO2, and H2O by measuring recovery of the ground-state population following intense laser excitation. Experiments were conducted in a room temperature flow cell containing dilute mixtures of NO, N2, and the quenching gases.
View Article and Find Full Text PDFThis issue of Applied Optics features 14 papers that describe recent advances of laser techniques, including instrumentation, application in combustion research, and detection of pollutants. Most of these contributions were presented at the Eighth Optical Society of America Topical Meeting on Laser Applications to Chemical and Environmental Analysis (8th LACEA), held in Boulder, Colorado, 7-10 February, 2002.
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