Bio
Hai Wang is Professor of Mechanical Engineering at Stanford University. His interests are in renewable energy conversion, catalysis and combustion. His current research focuses on theories and applications of nanoparticles and nanostructures for rechargeable batteries and supercapacitors, combustion simulations and nanocatalysis. He is the author and coauthor of numerous papers in scholarly journals, including "Mesoporous titania films prepared by flame stabilized on a rotating surface-Application in dye sensitized solar cells" in Journal of Physical Chemistry C, “A detailed kinetic modeling study of aromatics formation in laminar premixed acetylene and ethylene flames” in Combustion and Flame, “Drag force, diffusion coefficient, and electric mobility of small particles. I. Theory applicable to the free-molecule regime” in Physical Review E, “A new mechanism for the formation of meteoritic kerogen-like material” in the Science Magazine, “Gas-nanoparticle scattering: A molecular view of momentum accommodation function” in Physical Review Letters, and “Formation of nascent soot and other condensed-phase materials in flames” in Proceedings of the Combustion Institute. He is the co-editor of Combustion Generated Fine Carbonaceous Particles. He is or has been a member of the editorial boards of International Journal of Chemical Kinetics, Combustion and Flame and Proceedings of the Combustion Institute.
Administrative Appointments
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Postdoctoral Research Associate, Fuel Science Program, Department of Materials Science and Engineering, Pennsylvania State University (1992 - 1994)
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Professional Research Staff, Department of Mechanical and Aerospace Engineering, Princeton University (1994 - 1996)
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Assistant Professor, Department of Mechanical Engineering, University of Delaware (1997 - 2001)
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Associate Professor, Department of Mechanical Engineering, University of Delaware (2001 - 2004)
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Associate Professor, Department of Aerospace and Mechanical Engineering, University of Southern California (2004 - 2007)
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Co-Founder, TISOL, LLC (2007 - 2011)
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Professor, Department of Aerospace and Mechanical Engineering, University of Southern California (2007 - 2013)
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Guest Professor, National Synchrotron Radiation Laboratory, University of Science and Technology of China (2008 - Present)
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Associate Chair, Department of Aerospace and Mechanical Engineering, University of Southern California (2008 - 2009)
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Chang-Jiang Scholars Guest Professor, Shanghai Jiaotong University (2010 - 2013)
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Northrop Chair in Engineering, University of Southern California (2010 - 2013)
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Guest Professor, Department of Thermal Engineering, Tsinghua University (2011 - Present)
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Professor, Department of Mechanical Engineering, Stanford University (2013 - Present)
Honors & Awards
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Distinguished Paper Award, Thirty-Fifth International Symposium on Combustion (2014)
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Senior Research Award, Viterbi School of Engineering, USC (2011)
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Changjiang Scholar, Ministry of Education, China (2010)
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Northrop Chair in Engineering, University of Southern California (2010)
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Combustion and Flame Most Cited Author 2005-2008, Elsevier (2009)
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Distinguished Paper Award, Thirty-First International Symposium on Combustion (2006)
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CAREER Award, National Science Foundation (1999)
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C.C.Wright Award for Excellence in Graduate Study, Fuel Science, Pennsylvania State University (1992)
Boards, Advisory Committees, Professional Organizations
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Editor-in-Chief, Progress in Energy and Combustion Science (2015 - Present)
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Member of the Editorial Board, Frontiers in Energy (2012 - Present)
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Member of the Editorial Board, Proceedings of the Combustion Institute (2008 - 2014)
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Member of the Editorial Board, Progress in Energy and Combustion Science (2006 - 2015)
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Member of the Editorial Board, Combustion and Flame (2003 - 2008)
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Member of the Editorial Advisory Board, International Journal of Chemical Kinetics (2001 - 2003)
Professional Education
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Ph.D., Pennsylvania State University, University Park, Pennsylvania, Fuel Science (1992)
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M.S., Michigan Technological University, Houghton, Michigan, Chemical Engineering (1986)
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B.Eng., East China University of Science and Technology, Polymer Materials Science and Engineering (1984)
Patents
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Hai Wang, Denis Phares. "United States Patent US8329071 Multicomponent Nanoparticle Materials and Process and Apparatus Therefor", Dec 11, 2012
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Hai Wang, Denis J. Phares, Erik Tolmachoff. "United States Patent US8329251 Method for Preparing Metal Oxide Crystalline Nanoparticle Films for Dye Sensitized Solar Cell Photoanodes", Dec 11, 2012
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Hai Wang, Denis Phares. "United States Patent US8197908 Method for preparing electrically conducting materials", Jun 12, 2012
2015-16 Courses
- Dynamics and Kinetics of Nanoparticles
ME 374 (Win) - Engineering Thermodynamics
ENGR 30 (Aut) -
Independent Studies (7)
- Engineering Problems
ME 391 (Aut, Win, Spr, Sum) - Engineering Problems and Experimental Investigation
ME 191 (Aut, Win, Spr) - Experimental Investigation of Engineering Problems
ME 392 (Win, Spr) - Honors Research
ME 191H (Aut, Win, Spr) - Ph.D. Teaching Experience
ME 491 (Aut, Win, Spr) - Practical Training
ME 299A (Aut, Win, Spr) - Practical Training
ME 299B (Win, Spr)
- Engineering Problems
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Prior Year Courses
2014-15 Courses
- Dynamics and Kinetics of Nanoparticles
ME 374 (Spr) - Engineering Thermodynamics
ENGR 30 (Aut) - Nonequilibrium Processes in High-Temperature Gases
ME 362B (Win)
2013-14 Courses
- Dynamics and Kinetics of Nanoparticles
ME 374 (Win) - Engineering Thermodynamics
ENGR 30 (Spr)
- Dynamics and Kinetics of Nanoparticles
Stanford Advisees
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Postdoctoral Faculty Sponsor
Joaquin Camacho, Dongping Chen, Robin Joseph Shannon, Ajay Singh -
Doctoral (Program)
Aaron Alpert
All Publications
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Numerical simulation and parametric sensitivity study of particle size distributions in a burner-stabilised stagnation flame
COMBUSTION AND FLAME
2015; 162 (6): 2569-2581
View details for DOI 10.1016/j.combustflame.2015.03.006
View details for Web of Science ID 000360592600023
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Analysis of segregation and bifurcation in turbulent spray flames: A 3D counterflow configuration
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2015; 35: 1675-1683
View details for DOI 10.1016/j.proci.2014.06.083
View details for Web of Science ID 000348048800061
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Kinetics of nascent soot oxidation by molecular oxygen in a flow reactor
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2015; 35: 1887-1894
View details for DOI 10.1016/j.proci.2014.05.095
View details for Web of Science ID 000348048800086
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Morphology of nascent soot in ethylene flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2015; 35: 1879-1886
View details for DOI 10.1016/j.proci.2014.05.009
View details for Web of Science ID 000348048800085
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Skeletal reaction model generation, uncertainty quantification and minimization: Combustion of butane
COMBUSTION AND FLAME
2014; 161 (12): 3031-3039
View details for DOI 10.1016/j.combustflame.2014.07.018
View details for Web of Science ID 000345200500004
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Imaging Nanocarbon Materials: Soot Particles in Flames are Not Structurally Homogeneous
CHEMPHYSCHEM
2013; 14 (14): 3248-3254
View details for DOI 10.1002/cphc.201300581
View details for Web of Science ID 000325157100018
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Imaging nano carbon materials – tiniest soot particles in flames are not structurally homogeneous
ChemPhysChem
2013; 14: 3248 – 3254
View details for DOI 10.1002/cphc.201300581
- Height and phase mode images of nascent soot using AFM The 8th US National Combustion Meeting 2013
- Catalytic oxidation of alkanes over palladium oxide The 8th US National Combustion Meeting 2013
- Chemical kinetic uncertainty minimization through laminar flame speed measurements of C1-C3 hydrocarbon/air mixtures. The 8th US National Combustion Meeting 2013
- Optimized skeletal reaction model of butane combustion The 8th US National Combustion Meeting 2013
- Kinetics of nascent soot oxidation in a flow reactor The 8th US National Combustion Meeting 2013
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Kinetics of catalytic oxidation of methane over palladium oxide by wire microcalorimetry
Journal of Physical Chemistry C
2013; 117: 19499–19507
View details for DOI 10.1021/jp4058302.
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Evolution of size distribution of nascent soot in n- and i-butanol flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2013; 34: 1853-1860
View details for DOI 10.1016/j.proci.2012.05.100
View details for Web of Science ID 000313125400194
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On potential energy landscape and combustion chemistry modeling
COMBUSTION AND FLAME
2013; 160 (1): 222-223
View details for DOI 10.1016/j.combustflame.2012.09.012
View details for Web of Science ID 000311771500022
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Dye sensitized solar cells prepared by flames stabilized on a rotating surface
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2013; 34: 2171-2178
View details for DOI 10.1016/j.proci.2012.06.069
View details for Web of Science ID 000313131800032
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Isomerization kinetics of benzylic and methylphenyl type radicals in single-ring aromatics
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2013; 34: 307-314
View details for DOI 10.1016/j.proci.2012.05.014
View details for Web of Science ID 000313125400021
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Mesoporous Titania Films Prepared by Flame Stabilized on a Rotating Surface: Application in Dye Sensitized Solar Cells
JOURNAL OF PHYSICAL CHEMISTRY C
2012; 116 (9): 5342-5351
View details for DOI 10.1021/jp2095533
View details for Web of Science ID 000301315700008
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Propagation and extinction of benzene and alkylated benzene flames
COMBUSTION AND FLAME
2012; 159 (3): 1070-1081
View details for DOI 10.1016/j.combustflame.2011.10.017
View details for Web of Science ID 000299855400014
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Tunneling in Hydrogen-Transfer Isomerization of n-Alkyl Radicals
JOURNAL OF PHYSICAL CHEMISTRY A
2012; 116 (1): 319-332
Abstract
The role of quantum tunneling in hydrogen shift in linear heptyl radicals is explored using multidimensional, small-curvature tunneling method for the transmission coefficients and a potential energy surface computed at the CBS-QB3 level of theory. Several one-dimensional approximations (Wigner, Skodje and Truhlar, and Eckart methods) were compared to the multidimensional results. The Eckart method was found to be sufficiently accurate in comparison to the small-curvature tunneling results for a wide range of temperature, but this agreement is in fact fortuitous and caused by error cancellations. High-pressure limit rate constants were calculated using the transition state theory with treatment of hindered rotations and Eckart transmission coefficients for all hydrogen-transfer isomerizations in n-pentyl to n-octyl radicals. Rate constants are found in good agreement with experimental kinetic data available for n-pentyl and n-hexyl radicals. In the case of n-heptyl and n-octyl, our calculated rates agree well with limited experimentally derived data. Several conclusions made in the experimental studies of Tsang et al. (Tsang, W.; McGivern, W. S.; Manion, J. A. Proc. Combust. Inst. 2009, 32, 131-138) are confirmed theoretically: older low-temperature experimental data, characterized by small pre-exponential factors and activation energies, can be reconciled with high-temperature data by taking into account tunneling; at low temperatures, transmission coefficients are substantially larger for H-atom transfers through a five-membered ring transition state than those with six-membered rings; channels with transition ring structures involving greater than 8 atoms can be neglected because of entropic effects that inhibit such transitions. The set of computational kinetic rates were used to derive a general rate rule that explicitly accounts for tunneling. The rate rule is shown to reproduce closely the theoretical rate constants.
View details for DOI 10.1021/jp209360u
View details for Web of Science ID 000298978000036
View details for PubMedID 22129143
- Characteristics of dye sensitized solar cells made with flame stabilized on a rotating surface (FSRS) 2012 Fall MRS Meeting and Exhibits 2012
- Nanoporous titania gas sensing films prepared using flame stabilized on a rotating surface (FSRS) Fall MRS Meeting and Exhibits 2012
- Study of the formation and structure of Pd nanoparticles in flames by SAXS and simulation Fall MRS Meeting and Exhibits 2012
- On AFM probing of nascent soot structure 34th International Symposium on Combustion 2012
- Chemical kinetic uncertainty minimization through laminar flame speed measurements Spring Technical Meeting of the Western States Sections of the Combustion Institute, Arizona State University 2012
- Towards a predictive combustion chemistry model–Uncertainty Propagation and Minimization First High-Pressure Flame Chemistry Workshop 2012
- Pressure dependence in the competitive thermal isomerization/ decomposition of the cyclohexyl radical First High-Pressure Flame Chemistry Workshop 2012
- Probing nascent soot in burned stabilized ethylene flames: a comparison of several microscopic techniques 34th International Symposium on Combustion 2012
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The method of uncertainty quantification and minimization using polynomial chaos expansions
COMBUSTION AND FLAME
2011; 158 (12): 2358-2374
View details for DOI 10.1016/j.combustflame.2011.05.010
View details for Web of Science ID 000297567800006
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Nanoporous Titania Gas Sensing Films Prepared in a Premixed Stagnation Flame
JOURNAL OF PHYSICAL CHEMISTRY C
2011; 115 (44): 21620-21628
View details for DOI 10.1021/jp206061h
View details for Web of Science ID 000296394300012
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Combustion kinetic modeling using multispecies time histories in shock-tube oxidation of heptane
COMBUSTION AND FLAME
2011; 158 (4): 645-656
View details for DOI 10.1016/j.combustflame.2010.12.016
View details for Web of Science ID 000288291000006
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Properties of nanocrystalline TiO2 synthesized in premixed flames stabilized on a rotating surface
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2011; 33: 1917-1924
View details for DOI 10.1016/j.proci.2010.05.065
View details for Web of Science ID 000285629000028
- Scattering of noble gas molecules and transition metal nanoparticles: A molecular dynamics study 7th US National Meeting of Combustion 2011
- Molecule/particle beams detection by fast superconducting bolometers 7th US National Meeting of Combustion 2011
- Theory and kinetic modeling of initiation reactions for cyclohexane and several of its mono-alkylated derivatives 7th US National Meeting of Combustion 2011
- Formation of soot in laminar premixed n-butanol and isobutanol flames 2011
- Catalytic methane oxidation over palladium nanoparticles 2011
- Mesoporous TiO2 thin films prepared by Flame Stabilized on a Rotating Surface (FSRS) method - Application to dye-sensitized solar cells 2011
- Overview of research at the CEFRC on chemical kinetics and reaction mechanisms of foundational fuels 2011
- Combustion kinetic modeling using multispecies time-histories in shock-tube oxidation of n-dodecane 2011
- Dye sensitized solar cells fabricated by flame stabilized on a rotating surface 2011
- Dependence of TiO2 crystal phase on flame synthesis conditions 2011
- Experimental and modeling study the oxidation of isobutane and isobutene 2011
- Evidence of aliphatics in nascent soot particles formed in premixed ethylene flames 2011
- Uncertainty estimation of reduced chemical models 2011
- Combustion kinetic modeling using multispecies time-histories in shock-tube oxidation of heptane 2011
- Modeling the pressure dependence of H2/O2/diluent mass burning rates 2011
- Properties of nanocrystalline TiO1 synthesized by flame stabilized on a rotating surface 2011
- Theory and kinetic modeling of isomerization reactions between benzylic and methylphenyl type radicals 2011
- A comparative study of the sooting properties of laminar premixed flames of C6 hydrocarbons 2011
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An experimental and modeling study of the propagation of cyclohexane and mono-alkylated cyclohexane flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2011; 33: 971-978
View details for DOI 10.1016/j.proci.2010.06.099
View details for Web of Science ID 000285780200103
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Internal structure, hygroscopic and reactive properties of mixed sodium methanesulfonate-sodium chloride particles
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2011; 13 (25): 11846-11857
Abstract
Internal structures, hygroscopic properties and heterogeneous reactivity of mixed CH(3)SO(3)Na/NaCl particles were investigated using a combination of computer modeling and experimental approaches. Surfactant properties of CH(3)SO(3)(-) ions and their surface accumulation in wet, deliquesced particles were assessed using molecular dynamics (MD) simulations and surface tension measurements. Internal structures of dry CH(3)SO(3)Na/NaCl particles were investigated using scanning electron microscopy (SEM) assisted with X-ray microanalysis mapping, and time-of-flight secondary ion mass spectrometry (TOF-SIMS). The combination of these techniques shows that dry CH(3)SO(3)Na/NaCl particles are composed of a NaCl core surrounded by a CH(3)SO(3)Na shell. Hygroscopic growth, deliquescence and efflorescence phase transitions of mixed CH(3)SO(3)Na/NaCl particles were determined and compared to those of pure NaCl particles. These results indicate that particles undergo a two step deliquescence transition: first at ∼69% relative humidity (RH) the CH(3)SO(3)Na shell takes up water, and then at ∼75% RH the NaCl core deliquesces. Reactive uptake coefficients for the particle-HNO(3) heterogeneous reaction were determined at different CH(3)SO(3)Na/NaCl mixing ratios and RH. The net reaction probability decreased notably with increasing CH(3)SO(3)Na and at lower RH.
View details for DOI 10.1039/c1cp20444k
View details for Web of Science ID 000291656900006
View details for PubMedID 21573304
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Evidence of aliphatics in nascent soot particles in premixed ethylene flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2011; 33: 533-540
View details for DOI 10.1016/j.proci.2010.06.164
View details for Web of Science ID 000285780200052
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Temperature-dependent gas-surface chemical kinetic model for methane ignition catalyzed by in situ generated palladium nanoparticles
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2011; 33: 1859-1866
View details for DOI 10.1016/j.proci.2010.06.121
View details for Web of Science ID 000285629000021
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Formation of nascent soot and other condensed-phase materials in flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2011; 33: 41-67
View details for DOI 10.1016/j.proci.2010.09.009
View details for Web of Science ID 000285780200002
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Products of the Benzene + O(P-3) Reaction
JOURNAL OF PHYSICAL CHEMISTRY A
2010; 114 (9): 3355-3370
Abstract
The gas-phase reaction of benzene with O((3)P) is of considerable interest for modeling of aromatic oxidation, and also because there exist fundamental questions concerning the prominence of intersystem crossing in the reaction. While its overall rate constant has been studied extensively, there are still significant uncertainties in the product distribution. The reaction proceeds mainly through the addition of the O atom to benzene, forming an initial triplet diradical adduct, which can either dissociate to form the phenoxy radical and H atom or undergo intersystem crossing onto a singlet surface, followed by a multiplicity of internal isomerizations, leading to several possible reaction products. In this work, we examined the product branching ratios of the reaction between benzene and O((3)P) over the temperature range 300-1000 K and pressure range 1-10 Torr. The reactions were initiated by pulsed-laser photolysis of NO(2) in the presence of benzene and helium buffer in a slow-flow reactor, and reaction products were identified by using the multiplexed chemical kinetics photoionization mass spectrometer operating at the Advanced Light Source (ALS) of Lawrence Berkeley National Laboratory. Phenol and phenoxy radical were detected and quantified. Cyclopentadiene and cyclopentadienyl radical were directly identified for the first time. Finally, ab initio calculations and master equation/RRKM modeling were used to reproduce the experimental branching ratios, yielding pressure-dependent rate expressions for the reaction channels, including phenoxy + H, phenol, cyclopentadiene + CO, which are proposed for kinetic modeling of benzene oxidation.
View details for DOI 10.1021/jp9114145
View details for Web of Science ID 000275046600049
View details for PubMedID 20099861
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Methane ignition catalyzed by in situ generated palladium nanoparticles
COMBUSTION AND FLAME
2010; 157 (3): 421-435
View details for DOI 10.1016/j.combustflame.2009.07.012
View details for Web of Science ID 000274005400002
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Propagation and extinction of premixed C-5-C-12 n-alkane flames
COMBUSTION AND FLAME
2010; 157 (2): 277-287
View details for DOI 10.1016/j.combustflame.2009.06.011
View details for Web of Science ID 000273702400009
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Weakly Bound Carbon-Carbon Bonds in Acenaphthene Derivatives and Hexaphenylethane
JOURNAL OF PHYSICAL CHEMISTRY A
2010; 114 (2): 1161-1168
Abstract
A class of acenaphthene derivatives is shown to contain weak central carbon-carbon bonds that may be easily cleaved at high temperatures or even at ambient conditions to yield persistent free diradicals. To demonstrate the weak C-C bond strength, density functional theory calculations were carried out at several levels of theory for both the parent molecules and the diradicals resulting from the C-C bond cleavage. To assess the accuracy of the calculations, hexaphenylethane was chosen as a model compound due to its similarity with the molecules studied here, its great resonance stabilization, and long-standing history within the chemistry community. The C-C bond dissociation energy of hexaphenylethane was determined to be 11.3 +/- 1.4 kcal/mol using a combination of isodesmic reactions and calculations at the M06-2X/6-31+G(d,p) level of theory. The types of molecules presented here are proposed as strong possibilities for the natural existence of free radicals in young and mature soot formed in hydrocarbon combustion.
View details for DOI 10.1021/jp909662m
View details for Web of Science ID 000273400600059
View details for PubMedID 20039628
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Micro-FTIR study of soot chemical composition-evidence of aliphatic hydrocarbons on nascent soot surfaces
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2010; 12 (20): 5206-5218
Abstract
Previous studies suggest that soot formed in premixed flat flames can contain a substantial amount of aliphatic compounds. Presence of these compounds may affect the kinetics of soot mass growth and oxidation in a way that is currently not understood. Using an infrared spectrometer coupled to a microscope (micro-FTIR), we examined the composition of soot sampled from a set of ethylene-argon-oxygen flames recently characterized (A. D. Abid, et al. Combust. Flame, 2008, 154, 775-788), all with an equivalence ratio Φ=2.07 but varying in maximum flame temperatures. Soot was sampled at three distances above the burner surface using a probe sampling technique and deposited on silicon nitride thin film substrates using a cascade impactor. Spectra were taken and analyses performed for samples collected on the lowest five impactor stages with the cut-off sizes of D(50)=10, 18, 32, 56 and 100 nm. The micro-FTIR spectra revealed the presence of aliphatic C–H, aromatic C–H and various oxygenated functional groups, including carbonyl (C=O), C–O–C and C–OH groups. Spectral analyses were made to examine variations of these functional groups with flame temperature, sampling position and particle size. Results indicate that increases in flame temperature leads to higher contents of non-aromatic functionalities. Functional group concentrations were found to be ordered as follows: [C=O]<[C–O]<[aliphatic C–H]. Aliphatic C–H was found to exist in significant quantities, with very little oxygenated groups present. The ratio of these chemical functionalities to aromatic C–H remains constant for particle sizes spanning 10-100 nm. The results confirm a previous experimental finding: a significant amount of aliphatic compounds is present in nascent soot formed in the flames studied, especially towards larger distances above the burner surface.
View details for DOI 10.1039/b924344e
View details for Web of Science ID 000277689500004
View details for PubMedID 21491682
- Kinetic modeling of one-ring aromatic compounds Spring Technical Meeting of the Western States Sections of the Combustion Institute, University of Colorado 2010
- Nanocatalysts in Propulsion: Mechanisms and Optimization 2010
- Organic functionalities in aircraft and laboratory generated soot studied by micro-FTIR spectroscopy 2010
- A high-temperature chemical kinetic model of n-alkane (up to n-dodecane), cyclohexane, and methyl-, ethyl-, n-propyl and n-butyl-cyclohexane oxidation at high temperatures JetSurF version 2.0, (http://melchior.usc.edu/JetSurF/JetSurF2.0). 2010
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In Situ Generation of Pd/PdO Nanoparticle Methane Combustion Catalyst: Correlation of Particle Surface Chemistry with Ignition
JOURNAL OF PHYSICAL CHEMISTRY C
2009; 113 (48): 20632-20639
View details for DOI 10.1021/jp904317y
View details for Web of Science ID 000272038600018
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Quantitative measurement of soot particle size distribution in premixed flames - The burner-stabilized stagnation flame approach
COMBUSTION AND FLAME
2009; 156 (10): 1862-1870
View details for DOI 10.1016/j.combustflame.2009.05.010
View details for Web of Science ID 000274583500002
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Evolution of Soot Particle Size Distribution Function in Burner-Stabilized Stagnation n-Dodecane-Oxygen-Argon Flames
ENERGY & FUELS
2009; 23: 4286-4294
View details for DOI 10.1021/ef900324e
View details for Web of Science ID 000270671500010
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Spectral uncertainty quantification, propagation and optimization of a detailed kinetic model for ethylene combustion
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2009; 32: 535-542
View details for DOI 10.1016/j.proci.2008.05.042
View details for Web of Science ID 000264756800059
- A high-temperature chemical kinetic model of cyclohexane and its derivatives JetSurF version 1.1, (http://melchior.usc.edu/JetSurF/Version1_1 /Index.html). 2009
- Mesoporous TiO2 thin films prepared by flame stabilized on a rotating surface - application to dye sensitized solar cells 2009
- Weakly bound carbon-carbon bonds in acenaphthylene derivatives 2009
- Particle size distribution functions of soot formed in laminar premixed n-dodecane-oxygen-argon flames 2009
- Temperature-dependent chemical kinetic model of methane oxidation over palladium surfaces 2009
- Combustion characteristics of conventional and synthetic jet fuels 2009
- Ignition delay in combustion of ethylene: A shock tube study 2009
- Reduction of detailed chemical models with controlled uncertainty 2009
- Simplified chemical kinetic models for high-temperature oxidation of C1 to C12 nalkanes 2009
- Burner-stabilized stagnation flow flame approach to probe soot size distributions 2009
- Experimental and numerical studies on methane ignition catalyzed by in situ generated palladium nanoparticles in a laminar flow reactor 2009
- Propagation and extinction of m-xylene/air, and m-xylene/n-dodecane/air flames 2009
- Products of the benzene + O(3p) reaction: Experimental and theoretical study 2009
- Ultra sensitive nanoporous TiO2 gas sensing films synthesized in a premixed stagnation flame 2009
- Dye sensitized solar cells fabricated by flame stabilized on a rotating surface 2009
- Predicting the effects of fuel composition and flame structure on soot generation 2009
- Record photoefficiency achieved for dye sensitized solar cells using mesoporous titania layer produced by flames 2009
- Comparison of gas sensing properties of TiO2 nanoparticles synthesized in a premixed stagnation flame method and the Aerosil® process 2009
- Necessity of nonlinear terms in polynomial chaos expansions for uncertainty propagation 2009
- Combustion Generated Fine Carbonaceous Particles edited by Bockhorn, H., D’Anna, A., Wang, H. Karlsruhe University Press. 2009
- Modeling and sensitivity analysis of TiO2 nanoparticle formation in a premixed stagnation flame 2009
- New Experimental and theoretical insights of the role of tunneling in n-alkyl radicals isomerization 2009
- Quantitative analysis of hierarchical strategies of building combustion reaction models 2009
- Experiment and modeling study of laminar flame speed and non-premixed counterflow ignition of n-heptane 2009
- Size distribution and chemical composition measurements of nascent soot formed in premixed ethylene flames Combustion Generated Fine Carbonaceous Particles edited by Bockhorn, H., D’Anna, A., Wang, H. Karlsruhe University Press. 2009: 467-484
- A high-temperature chemical kinetic model of n-alkane oxidation with quantifiable uncertainties JetSurF version 1.0, (http://melchior.usc.edu/JetSurF/Version1_0 /Index.html). 2009
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Synthesis of nano-phase TiO2 crystalline films over premixed stagnation flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2009; 32: 1839-1845
View details for DOI 10.1016/j.proci.2008.06.052
View details for Web of Science ID 000264756900024
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Sensitivity of propagation and extinction of large hydrocarbon flames to fuel diffusion
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2009; 32: 1157-1163
View details for DOI 10.1016/j.proci.2008.05.067
View details for Web of Science ID 000264756800133
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Transport Properties of Small Spherical Particles
INTERDISCIPLINARY TRANSPORT PHENOMENA: FLUID, THERMAL, BIOLOGICAL, MATERIALS, AND SPACE SCIENCES
2009; 1161: 484-493
Abstract
Recently, a theoretical framework for nanoparticle transport in the laminar flow regime has been proposed. The theory features a rigorous gas-kinetic theory analysis. It considers the effect of nonrigid body collision, and the theory is shown to reproduce the Chapman-Enskog theory of molecular transport in the small particle size limit, Epstein's model of particle drag in the rigid-body limit, and the Stokes-Cunningham equation for the drag on micrometer size particles. This theoretical framework provides the hope that bits and pieces of particle transport theories formulated over the last century can now be unified into a generalized theory. This paper discusses an unresolved fundamental issue related to this generalized theory, namely, the transition from specular scattering applicable to molecule-molecule collision to diffuse scattering governing molecule-"particle" collision.
View details for DOI 10.1111/j.1749-6632.2008.04319.x
View details for Web of Science ID 000266236000040
View details for PubMedID 19426341
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Size distribution and morphology of nascent soot in premixed ethylene flames with and without benzene doping
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2009; 32: 681-688
View details for DOI 10.1016/j.proci.2008.07.023
View details for Web of Science ID 000264756800075
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Experimental and modeling study of laminar flame speed and non-premixed counterflow ignition of n-heptane
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2009; 32: 1245-1252
View details for DOI 10.1016/j.proci.2008.06.213
View details for Web of Science ID 000264756800143
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Detailed and simplified kinetic models of n-dodecane oxidation: The role of fuel cracking in aliphatic hydrocarbon combustion
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2009; 32: 403-410
View details for DOI 10.1016/j.proci.2008.06.041
View details for Web of Science ID 000264756800043
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Hygroscopic behavior of substrate-deposited particles studied by micro-FT-IR spectroscopy and complementary methods of particle analysis (vol 80, pg 633, 2008)
ANALYTICAL CHEMISTRY
2008; 80 (18): 7179-7179
View details for DOI 10.1021/ac801397q
View details for Web of Science ID 000259199400045
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On evolution of particle size distribution functions of incipient soot in premixed ethylene-oxygen-argon flames
COMBUSTION AND FLAME
2008; 154 (4): 775-788
View details for DOI 10.1016/j.combustflame.2008.06.009
View details for Web of Science ID 000258940300010
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OH production by transient plasma and mechanism of flame ignition and propagation in quiescent methane-air mixtures
COMBUSTION AND FLAME
2008; 154 (4): 715-727
View details for DOI 10.1016/j.combustflame-2008.03.025
View details for Web of Science ID 000258940300006
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Kinetics of heterogeneous reaction of CaCO3 particles with gaseous HNO3 over a wide range of humidity
JOURNAL OF PHYSICAL CHEMISTRY A
2008; 112 (7): 1561-1571
Abstract
Heterogeneous reaction kinetics of gaseous nitric acid (HNO3) with calcium carbonate (CaCO3) particles was investigated using a particle-on-substrate stagnation flow reactor (PS-SFR). This technique utilizes the exposure of substrate deposited, isolated, and narrowly dispersed particles to a gas mixture of HNO3/H2O/N2, followed by microanalysis of individual reacted particles using computer-controlled scanning electron microscopy with energy-dispersive X-ray analysis (CCSEM/EDX). The first series of experiments were conducted at atmospheric pressure, room temperature and constant relative humidity (40%) with a median dry particle diameter of Dp = 0.85 mum, particle loading densities 2 x 104 /= 0.06 (x3//2). In a second series of experiments, HNO3 uptake on CaCO3 particles of the same size was examined over a wide range of relative humidity, from 10 to 80%. The net reaction probability was found to increase with increasing relative humidity, from gammanet >/= 0.003 at RH = 10% to 0.21 at 80%.
View details for DOI 10.1021/jp076169h
View details for Web of Science ID 000253222100024
View details for PubMedID 18232670
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Hygroscopic behavior of substrate-deposited particles studied by micro-FT-IR spectroscopy and complementary methods of particle analysis
ANALYTICAL CHEMISTRY
2008; 80 (3): 633-642
Abstract
The application of microscopic Fourier transform infrared (micro-FT-IR) spectroscopy combined with complementary methods of particle analysis is demonstrated here for investigations of phase transitions and hygroscopic growth of micron-sized particles. The approach utilizes the exposure of substrate-deposited, isolated particles to humidified nitrogen inside a sample cell followed by micro-FT-IR spectroscopy over a selected sample area. Phase transitions of NaCl, sea salt, NaNO3, and (NH4)2SO4 particles are monitored with this technique to evaluate its utility and applicability for particle hydration studies. The results are found in excellent agreement with literature data in terms of (a) reliable and reproducible detection of deliquescence and efflorescence phase transitions, (b) quantitative measurements of water-to-solute ratios in particles as a function of relative humidity, and (c) changes in the IR spectra resulting from phase transitions and changing relative humidity. Additional methods of particle analysis are employed to complement and assist in the interpretation of particle hygroscopicity data obtained from micro-FT-IR measurements. The analytical approach and the experimental setup presented here are relatively simple, inexpensive, readily available and therefore may be practical for hydration studies of environmental particles collected in both laboratory and field studies.
View details for DOI 10.1021/ac701638r
View details for Web of Science ID 000252870400016
View details for PubMedID 18179242
- A numerical and analytical study of thermally-driven combustion oscillations in a perfectly stirred reactor Journal of Heat Transfer-Transactions of the ASME 2008; 130: 71201
- PrIMe: Data model for laminar premixed flames 2008
- Spectral optimization and uncertainty propagation in detailed kinetic modeling of hydrocarbon combustion 2008
- Spectral optimization and uncertainty propagation in detailed kinetic modeling of hydrocarbon combustion 2008
- Sensitivity of propagation and extinction of large hydrocarbon flames to binary diffusion coefficients 2008
- Virtual organization of combustion kineticists 2008
- Internal structure, hygroscopic and reactive properties of nacl particles processed with methanesulfonic acid 2008
- Reaction mechanisms and H-atom transport issues in modeling lean hydrogen combustion 2008
- PrIMe: Subgroup operation for collaborative evaluation: Virtual Organization of Combustion Kineticists 2008
- Effect of fuel composition and flame structure on soot generation in turbulent non-premixed flames 2008
- Transient plasma induced production of oh and its effects on ignition in atmospheric ch4-air quiescent mixtures 2008
- Virtual organization of combustion kineticists 2008
- Reaction kinetics of benzene + O(3P) → products: experimental and theoretical study 2008
- On the propagation and extinction of mixtures of air with C7-C12 n-paraffins, JP-7, and JP-8 jet fuel 2008
- Study on the presence of nanoparticles in near-sooting premixed ethylene-air flat flames 2008
- Propagation and extinction of premixed n-dodecane/air flames 2008
- A high-temperature chemical kinetic model of n-alkane oxidation JetSurF version 0.2, (http://melchior.usc.edu/JetSurF/Version0_2 /Index.html). 2008
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Kinetic study of heterogeneous reaction of deliquesced NaCl particles with gaseous HNO3 using particle-on-substrate stagnation flow reactor approach
JOURNAL OF PHYSICAL CHEMISTRY A
2007; 111 (40): 10026-10043
Abstract
Heterogeneous reaction kinetics of gaseous nitric acid with deliquesced sodium chloride particles NaCl(aq) + HNO3(g) --> NaNO3(aq) + HCl(g) were investigated with a novel particle-on-substrate stagnation flow reactor (PS-SFR) approach under conditions, including particle size, relative humidity, and reaction time, directly relevant to the atmospheric chemistry of sea salt particles. Particles deposited onto an electron microscopy grid substrate were exposed to the reacting gas at atmospheric pressure and room temperature by impingement via a stagnation flow inside the reactor. The reactor design and choice of flow parameters were guided by computational fluid dynamics to ensure uniformity of the diffusion flux to all particles undergoing reaction. The reaction kinetics was followed by observing chloride depletion in the particles by computer-controlled scanning electron microscopy with energy-dispersive X-ray analysis (CCSEM/EDX). The validity of the current approach was examined first by conducting experiments with median dry particle diameter D(p) = 0.82 microm, 80% relative humidity, particle loading densities 4 x 10(4)
View details for DOI 10.1021/jp072005p
View details for Web of Science ID 000249987100003
View details for PubMedID 17850118
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Reaction kinetics of CO+HO2 -> products: Ab initio transition state theory study with master equation modeling
JOURNAL OF PHYSICAL CHEMISTRY A
2007; 111 (19): 4031-4042
Abstract
The kinetics of the reaction CO + HO2* --> CO2 + *OH was studied using a combination of ab initio electronic structure theory, transition state theory, and master equation modeling. The potential energy surface was examined with the CCSD(T) and CASPT2 methods. The classical energy barriers were found to be about 18 and 19 kcal/mol for CO + HO2* addition following the trans and cis paths, respectively. For the cis path, rate constant calculations were carried out with canonical transition state theory. For the trans path, master equation modeling was also employed to examine the pressure dependence. Special attention was paid to the hindered internal rotations of the HOOC*O adduct and transition states. The theoretical analysis shows that the overall rate coefficient is independent of pressure up to 500 atm for temperature ranging from 300 to 2500 K. On the basis of this analysis, we recommend the following rate expression for reaction R1 k(cm(3)/mol x s) = 1.57 x 10(5) T(2.18)e(-9030/T) for 300 < or = T < or = 2500 K with the uncertainty factor equal to 8, 2, and 1.7 at temperatures of 300, 1000, and 2000 K, respectively.
View details for DOI 10.1021/jp067597a
View details for Web of Science ID 000246341200037
View details for PubMedID 17388389
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On existence of nanoparticles below the sooting threshold
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2007; 31: 639-647
View details for DOI 10.1016/j.proci.2006.08.035
View details for Web of Science ID 000252858000062
- The influence of sodium methanesulfonate on hygroscopic and reactive properties of NaCl particles 2007
- Spectral expansion analysis of kinetic model uncertainty beyond parameter optimization 2007
- Spectral optimization and uncertainty quantification of detailed kinetic model for ethylene combustion 2007
- A thermodynamically consistent model of hydrogen oxidation over palladium 2007
- Combustion of CO/H2 mixture at elevated pressures 2007
- Chemical transformation of CaCO3 particles by heterogeneous reaction with HNO3: Kinetic measurements over a wide range of humidity 2007
- Evolution of particle size distribution function of nascent soot in premixed ethylene flames 2007
- A kinetic study of the heterogeneous reaction of CaCO3 particles with gaseous HNO3 2007
- Reaction kinetics of CO+HO2 → products: ab initio transition state theory study with master equation modeling 2007
- Transport theory of small spherical particles - how does a molecule become a ‘particle 2007
- Relations between particle size distribution function and morphology of soot formed in atmospheric-pressure, premixed ethylene-oxygen-argon flames 2007
- On existence of nanoparticles below sooting threshold 2007
- A kinetic study of the heterogeneous reaction of deliquesced NaCl particles with gaseous HNO3 2007
- Flame synthesis of nano-phase TiO2 crystalline films 2007
- The role of cracking in the combustion of JP-8 2007
- Enhanced OH chemiluminescent emission from transient plasma ignited methane-air mixtures relative to spark ignition 2007
- Probing hygroscopic properties of atmospheric particles using complementary methods of micro FTIR spectroscopy and micro analyses 2007
- Kinetic studies of the heterogeneous reactions of NaCl particles using a novel experimental approach 2007
- Prospect of size distribution and chemical composition measurements of nascent soot formed in premixed flames 2007
- Detailed soot particle size distributions and modeling study of ethylene/oxygen/argon flames doped with benzene 2007
- High-temperature combustion reaction model of H2/CO/C1-C4 compounds (http://ignis.usc.edu/USC_Mech_II.htm). 2007
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Experimental characterization of premixed spherical ethylene/air flames under sooting conditions
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2007; 31: 1047-1054
View details for DOI 10.1016/j.proci.2006.08.029
View details for Web of Science ID 000252858000108
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A comparative study of nanoparticles in premixed flames by scanning mobility particle sizer, small angle neutron scattering, and transmission electron microscopy
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2007; 31: 851-860
View details for DOI 10.1016/j.proci.2006.08.064
View details for Web of Science ID 000252858000086
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Combustion of CO/H-2 mixtures at elevated pressures
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2007; 31: 429-437
View details for DOI 10.1016/j.proci.2006.08.057
View details for Web of Science ID 000252858000039
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A new approach to determining gas-particle reaction probabilities and application to the heterogeneous reaction of deliquesced sodium chloride particles with gas-phase hydroxyl radicals
JOURNAL OF PHYSICAL CHEMISTRY A
2006; 110 (36): 10619-10627
Abstract
The reaction kinetics for gaseous hydroxyl radicals (OH) with deliquesced sodium chloride particles (NaCl(aq)) were investigated using a novel experimental approach. The technique utilizes the exposure of substrate-deposited aerosol particles to reactive gases followed by chemical analysis of the particles using computer-controlled scanning electron microscopy with energy-dispersive analysis of X-rays (CCSEM/EDX) capability. Experiments were performed at room temperature and atmospheric pressure with deliquesced NaCl particles in the micron size range at 70-80% RH and with OH concentrations in the range of 1 to 7 x 10(9) cm(-3). The apparent, pseudo first-order rate constant for the reaction was determined from measurements of changes in the chloride concentration of individual particles upon reaction with OH as a function of the particle loading on the substrate. Quantitative treatment of the data using a model that incorporates both diffusion and reaction kinetics yields a lower limit to the net reaction probability of gamma(net) > or = 0.1, with an overall uncertainty of a factor of 2.
View details for DOI 10.1021/jp063263+
View details for Web of Science ID 000240330000012
View details for PubMedID 16956244
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Numerical simulation and sensitivity analysis of detailed soot particle size distribution in laminar premixed ethylene flames
COMBUSTION AND FLAME
2006; 145 (1-2): 117-127
View details for DOI 10.1016/j.combustflame.2005.11.003
View details for Web of Science ID 000236722000008
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Master equation modeling of wide range temperature and pressure dependence of CO + OH -> products
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2006; 38 (1): 57-73
View details for DOI 10.1002/kin.20137
View details for Web of Science ID 000234103900008
- Size distribution, morphology and chemical composition of soot formed in an atmospheric ethylene-oxygen-argon flame 2006
- Methane oxidation in presence of sulfur dioxide Chemical Journal of Armenia 2006; 59: 9-21
- Spatially-resolved measurement of soot dynamics by small angle neutron scattering in a heavily sooting flame 2006
- reporting experimental data for the prime depository: rule-based system with emphasis on uncertainty 2006
- A kinetic study of the heterogeneous reaction of deliquesced NaCl particles with gaseous HNO3 using novel experimental approach 2006
- A kinetic study of the heterogeneous reaction of deliquesced sodium chloride particles with hydroxyl radicals 2006
- Combustion synthesis of ultrafine anatase TiO2 nanoparticles in a premixed stagnation flame 2006
- Process informatics for chemical reaction systems 2006
- Soluble nano catalysts to improve methane combustion 2006
- Reaction kinetics of CO+HO2products: ab initio study and master equation modeling 2006
- Probing deliquescence, efflorescence and hygroscopic growth of aerosols using micro-FTIR spectroscopy 2006
- Flame synthesized, narrowly distributed TiO2 nanoparticles ― synthesis method, characterization and applications 2006
- Chemical libraries: Multiscale modeling 2006
- Fundamental kinetics and transport problems in hydrogen oxidation 2006
- Bioengineered fuel cells: optimization via genetic approaches and multi-scale modeling 2006
- Molecular dynamics simulation of gas-nanoparticle collisions Physics 2006: 428-431
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Comment on "Phenomenological description of mobility of nm- and sub-nm-sized charged aerosol particles in electric field" by Shandakov, S D., Nasibulin, A G. and Kauppinen, E I
JOURNAL OF AEROSOL SCIENCE
2006; 37 (1): 111-114
View details for DOI 10.1016/j.jaerosci.2005.05.014
View details for Web of Science ID 000234869300006
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Thermal decomposition of ethylene oxide: Potential energy surface, master equation analysis, and detailed kinetic modeling
JOURNAL OF PHYSICAL CHEMISTRY A
2005; 109 (35): 8016-8027
Abstract
The unimolecular decomposition of ethylene oxide (oxirane) and the oxiranyl radial is examined by molecular orbital calculations, Rice-Ramsperger-Kassel-Marcus (RRKM)/Master Equation analysis, and detailed kinetic modeling of ethylene oxide pyrolysis in a single-pulse shock tube. It was found that the largest energy barrier to the decomposition of ethylene oxide lies in its initial isomerization to form acetaldehyde, and in agreement with previous studies, the isomerization was found to proceed through the *CH2CH2O* biradical. Because of the biradical nature of the transition states and intermediate, the energy barriers for the initial C-O rupture in ethylene oxide and the subsequent 1,2-H shift remain highly uncertain. An overall isomerization energy barrier of 59 +/- 2 kcal/mol was found to satisfactorily explain the available single pulse shock tube data. This barrier height is in line with the estimates made from an approximate spin-corrected procedure at the MP4/6-31+G(d) and QCISD(T)/6-31G(d) levels of theory. The dominant channel for the unimolecular decomposition of ethylene oxide was found to form CH3 + HCO at around the ambient pressure. It accounts for >90% of the total rate constant for T > 800 K. The high-pressure limit rate constant for the unimolecular decomposition of ethylene oxide was calculated as k(1,infinity)(s(-1)) = (3.74 x 10(10))T(1.298)e(-29990/T) for 600 < T < 2000 K.
View details for DOI 10.1021/jp0516442
View details for Web of Science ID 000231687100023
View details for PubMedID 16834184
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Chemical species associated with the early stage of soot growth in a laminar premixed ethylene-oxygen-argon flame
COMBUSTION AND FLAME
2005; 142 (4): 364-373
View details for DOI 10.1016/j.combustflame.2005.03.016
View details for Web of Science ID 000231656900004
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Extinction of premixed H-2/air flames: Chemical kinetics and molecular diffusion effects
COMBUSTION AND FLAME
2005; 142 (4): 374-387
View details for DOI 10.1016/j.combustflame.2005.03.017
View details for Web of Science ID 000231656900005
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Gas-nanoparticle scattering: A molecular view of momentum accommodation function
PHYSICAL REVIEW LETTERS
2005; 95 (1)
Abstract
We examine the origin of diffuse gas-particle scattering by molecular dynamics simulation and show that diffuse scattering is the consequence of gas molecule trapping on the particle surface. Trapping occurs because of gas-particle interactions and the particle's ability of energy accommodation. These observations explain the transition from specular-to-diffuse scattering as the particle size becomes larger than the molecular size. We discuss the implication of this transition on the transport properties of nanometer-size particles.
View details for DOI 10.1103/PhysRevLett.95.014502
View details for Web of Science ID 000230275500035
View details for PubMedID 16090621
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First-principle calculation for the high-temperature diffusion coefficients of small pairs: the H-Ar Case
COMBUSTION THEORY AND MODELLING
2005; 9 (2): 353-363
View details for DOI 10.1080/13647830500098431
View details for Web of Science ID 000231703800007
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Particle size distribution function of incipient soot in laminar premixed ethylene flames: effect of flame temperature
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2005; 30: 1441-1448
View details for DOI 10.1016/j.proci.2004.08.104
View details for Web of Science ID 000229944200156
- Ultrafine anatase TiO2 nanoparticles synthesized using an atmospheric premixed stagnation flame 2005
- Ultrafine anatase TiO2 nanoparticles synthesized using an atmospheric premixed stagnation flame 2005
- Chemical reactive control of HCCI engines 2005
- Conical intersections and spin-orbit coupling in the reaction of atomic oxygen with benzene 2005
- An optimized kinetic model of H2/CO combustion 2005
- Bimodal particle size distributions and morphology of soot in a relatively sooty laminar premixed ethylene flame 2005
- A self-consistent gas-kinetic theory of nanoparticle transport 2005
- Bimodal particle size distribution and morphology of soot in a laminar premixed ethylene flame 2005
- Computational study of the oxidation of ethylene oxide: potential energy surface, master equation analysis and detailed kinetic modeling 2005
- Burning velocities of sooting premixed ethylene/air flames 2005
- Gas-nanoparticle scattering: a molecular view of momentum accommodation function 2005
- A new experimental approach for kinetic studies of aerosol heterogeneous reactions 2005
- Bimodal particle size distributions and morphology of soot in a laminar premixed ethylene flame 2005
- Shock tube pyrolysis of 1,2-diiodobenzene-kinetics of H atom production in high-temperature thermal decomposition of ortho-benzyne 2005
- A detailed study of CO/H2 oxidation kinetics in synthesis-gas/air premixed flames 2005
- Particles size distribution function of incipient soot in laminar premixed ethylene flames: effect of flame temperature 2005
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An optimized kinetic model of H-2/CO combustion
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2005; 30: 1283-1292
View details for DOI 10.1016/j.proci.2004.08.252
View details for Web of Science ID 000229944200138
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Burning velocity measurements of microgravity spherical sooting premixed flames using rainbow SCHLIEREN deflectometry
COMBUSTION AND FLAME
2005; 140 (1-2): 93-102
View details for DOI 10.1016/j.combustflame.2004.10.007
View details for Web of Science ID 000226716700007
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Ultrafine anatase TiO2 nanoparticles produced in premixed ethylene stagnation flame at 1 atm
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2005; 30: 2569-2576
View details for DOI 10.1016/j.proci.2004.08.146
View details for Web of Science ID 000229944300097
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Effect of ferrocene addition on sooting limits in laminar premixed ethylene-oxygen-argon flames
COMBUSTION AND FLAME
2004; 139 (4): 288-299
View details for DOI 10.1016/j.combustflame.2004.09.002
View details for Web of Science ID 000225892700002
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Thermophoretic force and velocity of nanoparticles in the free molecule regime (vol E 70, art no 021205, 2004)
PHYSICAL REVIEW E
2004; 70 (6)
View details for DOI 10.1103/PhysRevE.70.069901
View details for Web of Science ID 000226299200149
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Thermal stability of flame-synthesized anatase TiO2 nanoparticles
JOURNAL OF PHYSICAL CHEMISTRY B
2004; 108 (45): 17398-17402
View details for DOI 10.1021/jp046874f
View details for Web of Science ID 000224993900021
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Thermal stability of flame-synthesized anatase TiO2 nanoparticles.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
2004; 228: U536-U536
View details for Web of Science ID 000223713802812
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Thermophoretic force and velocity of nanoparticles in the free molecule regime
PHYSICAL REVIEW E
2004; 70 (2)
Abstract
We extend our previous gas-kinetic theory analysis of drag force in a uniform temperature field [Li and Wang, Phys. Rev. E. 68, 061206 (2003); 68, 061207 (2003)] to particle transport in fluids with nonuniform temperature. Formulations for drag and thermophoretic forces are proposed for nanoparticle transport in low-density gases. We specifically consider the influence of nonrigid body collision due to van der Waals or other forces between the particle and gas molecules and find that these forces play a notable role for particles a few nanometers in size. It is shown that the present formulations can be easily reduced to the classical result of Waldmann [Z. Naturforsch. A 14a, 589 (1959)] by assuming rigid body collision. From the force formulations we also obtain the equation governing the thermophoretic velocity. This velocity is found to be highly sensitive to the potential energy of interactions between gas molecules and particle, and as such Waldmann's thermophoretic velocity is not expected to be accurate for nanosized particles.
View details for DOI 10.1103/PhysRevE.70.021205
View details for Web of Science ID 000223784400015
View details for PubMedID 15447483
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A new approach to response surface development for detailed gas-phase and surface reaction kinetic model optimization
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2004; 36 (2): 94-106
View details for DOI 10.1002/kin.101277
View details for Web of Science ID 000188088300004
- Automatic optimization of detailed kinetic mechanism for HCCI-engine simulation 2004
- Burning velocity measurements of sooting premixed flames 2004
- Automatic optimization of a natural gas detailed mechanism for HCCI-engine simulations 2004
- Combustion synthesis of ultrafine anatase TiO2 nanoparticles in a premixed stagnation flame 2004
- Experimental and numerical studies of extinction of premixed lean H2/air flames 2004
- Automatic optimization of detailed kinetic mechanism for HCCI-engine simulation 2004
- Sodium nitrate particles: physical and chemical properties during hydration and dehydration. Implications for aged sea salt aerosols 2004
- Burning velocity measurements of microgravity spherical sooting premixed flames using rainbow Schlieren deflectometry 2004
- Thermophoretic force and velocity of nanoparticles in free molecule regime 2004
- Multi-channel chemically activated reactions: Comparison of Troe’s weak collision model and exact solution of the master equation by monte carlo method 2004
- Multi-channel chemically activated reactions: Comparison of Troe’s weak collision model and solution of collisional energy transfer by Monte Carlo method 2004
- Sodium nitrate particles: physical and chemical properties during hydration and dehydration. Implications for aged sea salt aerosols 2004
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Drag force, diffusion coefficient, and electric mobility of small particles. II. Application
PHYSICAL REVIEW E
2003; 68 (6)
Abstract
We propose a generalized treatment of the drag force of a spherical particle due to its motion in a laminar fluid media. The theory is equally applicable to analysis of particle diffusion and electric mobility. The focus of the current analysis is on the motion of spherical particles in low-density gases with Knudsen number Kn>1. The treatment is based on the gas-kinetic theory analysis of drag force in the specular and diffuse scattering limits obtained in a preceding paper [Z. Li and H. Wang, Phys. Rev. E., 68, 061206 (2003)]. Our analysis considers the influence of van der Waals interactions on the momentum transfer upon collision of a gas molecule with the particle and expresses this influence in terms of an effective, reduced collision integral. This influence is shown to be significant for nanosized particles. In the present paper, the reduced collision integral values are obtained for specular and diffuse scattering, using a Lennard-Jones-type potential energy function suitable for the interactions of a gas molecule with a particle. An empirical formula for the momentum accommodation function, used to determine the effective, reduced collision integral, is obtained from available experimental data. The resulting treatment is shown to be accurate for interpreting the mobility experiments for particles as small as approximately 1 nm in radius. The treatment is subsequently extended to the entire range of the Knudsen number, following a semiempirical, gas-kinetic theory analysis. We demonstrate that the proposed formula predicts very well Millikan's oil-droplet experiments [R. A. Millikan, Philos. Mag. 34, 1 (1917); Phys. Rev. 22, 1 (1923)]. The rigorous theoretical foundation of the proposed formula in the Kn>1 limit makes the current theory far more general than the semiempirical Stokes-Cunningham formula in terms of the particle size and condition of the fluid and, therefore, more attractive than the Stokes-Cunningham formula.
View details for DOI 10.1103/PhysRevE.68.061207
View details for Web of Science ID 000188316600025
View details for PubMedID 14754192
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Drag force, diffusion coefficient, and electric mobility of small particles. I. Theory applicable to the free-molecule regime
PHYSICAL REVIEW E
2003; 68 (6)
Abstract
The transport of small particles in the free-molecule regime is investigated on the basis of gas kinetic theory. Drag force formulations were derived in two limiting collision models-namely, specular and diffuse scattering-by considering the potential force of interactions between the particle and fluid molecules. A parametrized drag coefficient equation is proposed and accounts for the transition from specular to diffuse scattering as particle size exceeds a critical value. The resulting formulations are shown to be consistent with the Chapman-Enskog theory of molecular diffusion. In the limit of rigid-body interactions, these formulations can be simplified also to Epstein's solutions [P. S. Epstein, Phys. Rev. 23, 710 (1924)].
View details for DOI 10.1103/PhysRevE.68.061206
View details for Web of Science ID 000188316600024
View details for PubMedID 14754191
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Thermodynamic consistency in microkinetic development of surface reaction mechanisms
JOURNAL OF PHYSICAL CHEMISTRY B
2003; 107 (46): 12721-12733
View details for DOI 10.1021/jp034954y
View details for Web of Science ID 000186574500028
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Thermodynamic consistency in microkinetic development of surface reaction mechanisms.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
2003; 226: U530-U530
View details for Web of Science ID 000187062402552
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Development of comprehensive detailed and reduced reaction mechanisms for combustion modeling
AIAA JOURNAL
2003; 41 (9): 1629-1646
View details for Web of Science ID 000185010700001
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Analysis of soot nanoparticles in a laminar premixed ethylene flame by scanning mobility particle sizer
AEROSOL SCIENCE AND TECHNOLOGY
2003; 37 (8): 611-620
View details for DOI 10.1080/02786820390194687
View details for Web of Science ID 000182565000001
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Measurement and numerical simulation of soot particle size distribution functions in a laminar premixed ethylene-oxygen-argon flame
COMBUSTION AND FLAME
2003; 133 (1-2): 173-188
View details for DOI 10.1016/S0010-2180(02)00574-6
View details for Web of Science ID 000182835100014
- Study of particle inception near and below sooting limit by scanning mobility particle sizer 2003
- Experiments and modeling of soot formation in laminar premixed flames: detailed particle size distribution function, effect of ferrocene addition, and role of ion in soot mass growth 2003
- A first-principle calculation of the binary diffusion coefficients pertinent to kinetic modeling of hydrogen-oxygen-helium flames 2003
- Ab-initio study of the C6H6 + O Reaction: Viability of the CO + C5H6 channel 2003
- A comprehensive and optimized kinetic model of H2/CO combustion 2003
- Flame synthesis of titanium oxide nanoparticles 2003
- Experimental and numerical studies of flame extinction: validation of chemical kinetics 2003
- Effect of flame temperature on particle size distribution functions of soot in laminar premixed ethylene flames 2003
- Determination of laminar flame speeds of fuel blends using digital particle image velocimetry: ethylene, n-butane, and toluene flames 2003
- Ab-initio study of the C6H5O + H reaction: Viability of the CO + C5H6 channel 2003
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A computational study of the thermal ionization of soot particles and its effect on their growth in laminar premixed flames
COMBUSTION AND FLAME
2002; 129 (1-2): 204-216
View details for Web of Science ID 000175291300013
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Determination of laminar flame speeds using digital particle image velocimetry: Binary fuel blends of ethylene, n-butane, and toluene
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2002; 29: 1427-1434
View details for Web of Science ID 000182866500002
- A study of combustion soot produced in laminar premixed ethylene flames using small angle neutron scattering 2002
- Nucleation of soot in flames: advances in experimental and computational methods 2002
- Chemistry and optimization of a reaction mechanism for c4 hydrocarbon combustion 2002
- An investigation of size distribution functions of soot particles in laminar premixed flames 2002
- Spatially-resolved measurement and computation of soot particle size distribution function in a laminar premixed ethylene flame 2002
- Toward a comprehensive understanding of combustion chemistry and detailed reaction modeling of combusting flows 2002
- Ab initio potential energy and binary diffusion coefficient of H-Ar 2002
- SMPS analysis and detailed numerical simulation of soot particle size distribution function in a laminar premixed ethylene flame 2002
- On the development of detailed and reduced chemical reaction mechanisms for aeropropulsion modeling 2002
- Particle size distribution of soot formed in a laminar premixed ethylene flame 2002
- A new approach to response surface development for detailed combustion chemistry model development and optimization 2002
- Ab Initio potential energy and binary diffusion coefficient of H-Ar 2002
- Experimental and computational study of sooting limits of ferrocene-doped ethylene/oxygen/argon premixed flames 2002
- Effect of ferrocene addition on sooting limits in ethylene/oxygen/argon premixed flames 2002
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A first-principle calculation of the binary diffusion coefficients pertinent to kinetic modeling of hydrogen/oxygen/helium flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2002; 29: 1361-1369
View details for Web of Science ID 000182866100163
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Small-angle neutron scattering of soot formed in laminar premixed ethylene flames
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2002; 29: 2749-2757
View details for Web of Science ID 000182866500162
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Thermodynamic functions for the cyclopentadienyl radical: The effect of Jahn-Teller distortion
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2001; 33 (12): 834-845
View details for Web of Science ID 000172258300008
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A new mechanism for initiation of free-radical chain reactions during high-temperature, homogeneous oxidation of unsaturated hydrocarbons: Ethylene, propyne, and allene
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2001; 33 (11): 698-706
View details for Web of Science ID 000171483200007
- Particulate formation and analysis CRC Handbook of Shock Waves. Chemical and Combustion Kinetics edited by Lifshitz, A. Academic Press, Chestnut Hill, MA. 2001: 257-308
- A theoretical study of binary diffusion coefficients of H-He and H-Ar at high temperatures 2001
- Thermodynamic functions for the cyclopentadienyl radical: the effect of Jahn-Teller distortion 2001
- The influence of H-atom diffusion coefficient on laminar flame simulation 2001
- Laminar flame speeds of soot-forming flames 2001
- A small-angle neutron scattering study of soot formation in laminar premixed ethylene flames 2001
- A theoretical study of the reactions on the C2H3O potential energy surfaces: kinetics of C2H2+OH → products and the unimolecular dissociation of the vinoxy radical 2001
- Simulation of soot particle thermal ionization in laminar premixed flames 2001
- Chain reaction initiation in homogeneous oxidation of ethylene, propyne, and 1,3-butadiene 2001
- Detailed kinetic modeling of benzene and toluene combustion 2001
- Determination of laminar flame speeds using digital particle image velocimetry 2001
- A numerical and analytical study of combustion oscillation in a perfectly stirred reactor 2001
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Detailed kinetic modeling of 1,3-butadiene oxidation at high temperatures
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
2000; 32 (10): 589-614
View details for Web of Science ID 000089038800002
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Effect of transiently bound collision on binary diffusion coefficients of free radical species
CHEMICAL PHYSICS LETTERS
2000; 325 (5-6): 661-667
View details for Web of Science ID 000088612600028
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On unimolecular decomposition of phenyl radical
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2000; 28: 1545-1555
View details for Web of Science ID 000169870400011
- On initiation mechanism of shock-tube oxidation of unsaturated hydrocarbons 2000
- Development of an integrated workbench for gas-phase thermodynamics, kinetics, and reaction modeling 2000
- Numerical simulation of thermo-ionization of soot particles and the effect of thermo-ionization on soot growth in laminar premixed flames 2000
- Simulation of particle ionization and its effect on soot formation in flames 2000
- Development of detailed and simplified chemical reaction mechanisms for aeropropulsion simulation 2000
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Combustion chemistry of propane: A case study of detailed reaction mechanism optimization
PROCEEDINGS OF THE COMBUSTION INSTITUTE
2000; 28: 1663-1669
View details for Web of Science ID 000169870400024
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Propene pyrolysis and oxidation kinetics in a flow reactor and laminar flames
COMBUSTION AND FLAME
1999; 119 (4): 375-399
View details for Web of Science ID 000083422600001
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Binary CF3Br- and CHF3-inert flame suppressants: Effect of temperature on the flame inhibition effectiveness of CF3Br and CHF3
COMBUSTION AND FLAME
1999; 118 (3): 489-499
View details for Web of Science ID 000080854600014
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Propyne pyrolysis in a flow reactor: An experimental, RRKM, and detailed kinetic modeling study
JOURNAL OF PHYSICAL CHEMISTRY A
1999; 103 (30): 5889-5899
View details for Web of Science ID 000081813600006
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Ignition of ethane, propane, and butane in counterflow jets of cold fuel versus hot air under variable pressures
COMBUSTION AND FLAME
1999; 117 (4): 777-794
View details for Web of Science ID 000079224800006
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On initiation reactions of acetylene oxidation in shock tubes - A quantum mechanical and kinetic modeling study
CHEMICAL PHYSICS LETTERS
1999; 303 (1-2): 43-49
View details for Web of Science ID 000079525900007
- Development of a detailed chemical reaction mechanism of propane oxidation at high temperature 1999
- Effects of reaction kinetics and heat transfer on combustion oscillation of methane in perfectly stirred reactor 1999
- Detailed kinetic modeling of benzene and toluene combustion 1999
- Molecular dynamics study of radical diffusion coefficients 1999
- A theoretical study of the chemically activated reactions on the C3H5 potential energy surface 1999
- Soot formation in counterflow diffusion flames containing chloromethane 1999
- Binary CF3Br- and CHF3-inert flame suppressants and influence of flame temperature on inhibition effectiveness of CF3Br and CHF3 1999
- A comprehensive mechanism of C2Hx and C3Hx fuel combustion 1999
- On initiation reaction of acetylene oxidation in shock tubes. A kinetic modeling and quantum mechanical study 1999
- On branched-chain mechanism of hydrogen-chlorine reactions: experimental and kinetic modeling study of laminar flame speeds of H2/Cl2/N2 mixtures 1999
- The pyrolysis and oxidation of propene in flow reactor 1999
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Laminar burning velocities of trifluoromethane-methane mixtures: Experiment and numerical simulation
COMBUSTION AND FLAME
1998; 114 (3-4): 457-468
View details for Web of Science ID 000073777600013
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Experiments and numerical simulation on the laminar flame speeds of dichloromethane and trichloromethane
COMBUSTION AND FLAME
1998; 114 (3-4): 285-293
View details for Web of Science ID 000073777600001
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Soot formation in counterflow ethylene diffusion flames from 1 to 2.5 atmospheres
COMBUSTION AND FLAME
1998; 113 (1-2): 264-270
View details for Web of Science ID 000071900700022
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Computational study on the thermochemistry of cyclopentadiene derivatives and kinetics of cyclopentadienone thermal decomposition
JOURNAL OF PHYSICAL CHEMISTRY A
1998; 102 (9): 1530-1541
View details for Web of Science ID 000072305400013
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An experimental and kinetic modeling study of propyne oxidation
TWENTY-SEVENTH SYMPOSIUM (INTERNATIONAL) ON COMBUSTION, VOLS 1 AND 2
1998: 305-312
View details for Web of Science ID 000083308600031
- Kinetic modeling of gas-phase aromatics oxidation and growth 1998
- On the unimolecular decomposition of the phenyl radical 1998
- On unimolecular decomposition of the phenyl radical 1998
- On thermochemical properties of PAH species 1998
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Structure and sooting limits in counterflow methane/air and propane/air diffusion flames from 1 to 5 atmospheres
TWENTY-SEVENTH SYMPOSIUM (INTERNATIONAL) ON COMBUSTION, VOLS 1 AND 2
1998: 1523-1529
View details for Web of Science ID 000083308600174
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Laminar flame speeds and oxidation kinetics of tetrachloromethane
TWENTY-SEVENTH SYMPOSIUM (INTERNATIONAL) ON COMBUSTION, VOLS 1 AND 2
1998: 529-536
View details for Web of Science ID 000083308600057
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On mild and vigorous oxidation of mixtures of chlorinated hydrocarbons in droplet burning
COMBUSTION AND FLAME
1997; 110 (1-2): 222-238
View details for Web of Science ID A1997XF51400015
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A detailed kinetic modeling study of aromatics formation in laminar premixed acetylene and ethylene flames
COMBUSTION AND FLAME
1997; 110 (1-2): 173-221
View details for Web of Science ID A1997XF51400014
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Thermochemistry of benzvalene, dihydrobenzvalene, and cubane: A high-level computational study
JOURNAL OF PHYSICAL CHEMISTRY B
1997; 101 (17): 3400-3403
View details for Web of Science ID A1997WV89200013
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Laminar flame speeds and oxidation kinetics of tetrachloromethane
CHEMICAL AND PHYSICAL PROCESSES IN COMBUSTION
1997: 297-300
View details for Web of Science ID 000071292500070
- Numerical simulation on inhibition effectiveness of halocarbons and Inert Gas Mixtures: Effects of Flame Temperature and Water Vapor 1997
- A computational study on the thermochemistry of cyclopentadiene derivatives 1997
- High-temperature pyrolysis and oxidation of chlorinated hydrocarbons Chemical Industry (Hemijska Industrija) 1997; 51: 485-500
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On the structure of nonsooting counterflow ethylene and acetylene diffusion flames
COMBUSTION AND FLAME
1996; 107 (4): 321-335
View details for Web of Science ID A1996VU09500001
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Detailed oxidation kinetics and flame inhibition effects of chloromethane
COMBUSTION AND FLAME
1996; 105 (3): 291-307
View details for Web of Science ID A1996UJ73200003
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Ethane oxidation at elevated pressures in the intermediate temperature regime: Experiments and modeling
COMBUSTION AND FLAME
1996; 104 (4): 505-523
View details for Web of Science ID A1996UB54500009
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Laminar flame speeds and oxidation kinetics of benene-air and toluene-air flames
Symposium (International) on Combustion
1996; 26 (1): 1025–1033
View details for DOI 10.1016/S0082-0784(96)80316-X
- Effects of ambient water in the combustion enhancement of heavily chlorinated hydrocarbons: studies on droplet combustion 1996
- Laminar burning velocities and oxidation kinetics of methane-trifluoromethane-air premixed flames 1996
- Combustion studies of energetic liquid materials edited by Roy, G., D., Kailathnanth, K. 1996
- Laminar flame speeds and oxidation kinetics of dichloromethane and trichloromethane 1996
- Diffusion coefficient of hydrogen atom for combustion modeling 1996
- Laminar burning speeds and oxidation kinetics of benzene/air and toluene/air flames 1996
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Silicon particle formation in pyrolysis of silane and disilane
ISRAEL JOURNAL OF CHEMISTRY
1996; 36 (3): 293-303
View details for Web of Science ID A1996WN99300011
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Experiments and numerical simulation on soot formation in opposed-jet ethylene diffusion flames
TWENTY-SIXTH SYMPOSIUM (INTERNATIONAL) ON COMBUSTION, VOLS 1 AND 2
1996: 2359-2368
View details for Web of Science ID 000083308500277
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DETAILED MODELING OF SOOT FORMATION IN LAMINAR PREMIXED ETHYLENE FLAMES AT A PRESSURE OF 10 BAR
COMBUSTION AND FLAME
1995; 100 (1-2): 111-120
View details for Web of Science ID A1995QG33100013
- Optimized chemical kinetics for modeling natural gas combustion 1995
- On the structure of non-sooting counterflow acetylene diffusion flames 1995
- Combustion studies of energetic liquid materials edited by Roy, G., D., Kailathnanth, K. 1995
- Optimized chemical model for natural gas combustion 1995
- On the detailed oxidation kinetics and flame inhibition effects of chloromethane 1995
- On the flame structures of counterflow ethylene/oxygen/nitrogen diffusion flames 1995
- Detailed and reduced chemical models for natural gas combustion 1995
- On the oxidation kinetics of premixed benzene/air and toluene/air flames 1995
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CALCULATIONS OF RATE COEFFICIENTS FOR THE CHEMICALLY ACTIVATED REACTIONS OF ACETYLENE WITH VINYLIC AND AROMATIC RADICALS
JOURNAL OF PHYSICAL CHEMISTRY
1994; 98 (44): 11465-11489
View details for Web of Science ID A1994PP89400033
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PARAMETRIZATION OF CHEMICALLY-ACTIVATED REACTIONS INVOLVING ISOMERIZATION
JOURNAL OF PHYSICAL CHEMISTRY
1994; 98 (41): 10598-10605
View details for Web of Science ID A1994PL69100034
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INDUCED NUCLEATION OF CARBON DUST IN RED GIANT STARS
ASTROPHYSICAL JOURNAL
1994; 429 (1): 285-299
View details for Web of Science ID A1994NT95800023
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THE OXIDATION OF METHANE AT ELEVATED PRESSURES - EXPERIMENTS AND MODELING
COMBUSTION AND FLAME
1994; 97 (2): 201-224
View details for Web of Science ID A1994NN98700005
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TRANSPORT-PROPERTIES OF POLYCYCLIC AROMATIC-HYDROCARBONS FOR FLAME MODELING
COMBUSTION AND FLAME
1994; 96 (1-2): 163-170
View details for Web of Science ID A1994NF87900014
- Modeling of NOx formation in natural gas fueled diesel combustion 1994
- An optimized kinetics model for natural gas combustion 1994
- Reduced mechanism of soot formation—application to natural gas fueled diesel combustion 1994
- Detailed mechanism and modeling of soot particle formation Soot Formation in Combustion: Mechanisms and Models of Soot Formation edited by Bockhorn, H. Springer Series in Chemical Physics, Springer-Verlag Berlin. 1994: 162-190
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Reduced mechanism of soot formation—Application to natural gas-fueled diesel combustion
Symposium (International) on Combustion
1994; 25 (1): 941-948
View details for DOI 10.1016/S0082-0784(06)80730-7
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THEORETICAL-STUDY OF REACTION BETWEEN PHENYLVINYLEUM ION AND ACETYLENE
JOURNAL OF PHYSICAL CHEMISTRY
1993; 97 (40): 10364-10371
View details for Web of Science ID A1993MA74100017
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A COMPUTATIONAL STUDY OF SOOTING LIMITS IN LAMINAR PREMIXED FLAMES OF ETHANE, ETHYLENE, AND ACETYLENE
COMBUSTION AND FLAME
1993; 93 (4): 467-482
View details for Web of Science ID A1993LD04300009
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ENTHALPIES OF FORMATION OF BENZENOID AROMATIC-MOLECULES AND RADICALS
JOURNAL OF PHYSICAL CHEMISTRY
1993; 97 (15): 3867-3874
View details for Web of Science ID A1993KX59600038
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MODIFICATION OF TROES FALL-OFF BROADENING
CHEMICAL PHYSICS LETTERS
1993; 205 (2-3): 271-276
View details for Web of Science ID A1993KV51900027
- Detailed mechanism and modeling of soot formation Advanced Combustion Science edited by Someya, T. Springer-Verlag, Tokyo. 1993: 168-175
- Detailed modeling of soot formation in high-pressure laminar premixed flames 1993
- Detailed kinetic modeling of PAH growth in laminar premixed hydrocarbon flames Third International Conference on Chemical Kinetics 1993
- Enthalpies of formation of PAH molecules and radicals Combustion Fundamentals and Applications, the 1993 Joint Technical Meeting of the Central and Eastern States Sections of the Combustion Institute 1993
- RRKM analysis of aromatic radical reactions with acetylene in Chemical and Physical Processes in Combustion, the 1993 Fall Technical Meeting of the Eastern States Section of the Combustion Institute 1993
- Detailed kinetic modeling of aromatics formation, growth and oxidation in laminar premixed flames Chemical and Physical Processes in Combustion, the 1993 Fall Technical Meeting of the Eastern States Section of the Combustion Institute 1993
- The oxidation of methane at elevated pressures: experiments and modeling Combustion Fundamentals and Applications, the 1993 Joint Technical Meeting of the Central and Eastern States Sections of the Combustion Institute, 1993
- On the Troe formula for unimolecular reaction rate coefficient Combustion Fundamentals and Applications, the 1993 Joint Technical Meeting of the Central and Eastern States Sections of the Combustion Institute 1993
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CYCLIC DEPOSITION OF DIAMOND - EXPERIMENTAL TESTING OF MODEL PREDICTIONS
JOURNAL OF APPLIED PHYSICS
1992; 72 (12): 5926-5940
View details for Web of Science ID A1992KC85000058
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OPTIMIZATION AND ANALYSIS OF LARGE CHEMICAL KINETIC MECHANISMS USING THE SOLUTION MAPPING METHOD - COMBUSTION OF METHANE
PROGRESS IN ENERGY AND COMBUSTION SCIENCE
1992; 18 (1): 47-73
View details for Web of Science ID A1992GY56000003
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DETAILED REDUCTION OF REACTION-MECHANISMS FOR FLAME MODELING
COMBUSTION AND FLAME
1991; 87 (3-4): 365-370
View details for Web of Science ID A1991GZ01700012
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ANALYSIS OF CYCLIC DEPOSITION OF DIAMOND
JOURNAL OF APPLIED PHYSICS
1991; 70 (11): 7132-7136
View details for Web of Science ID A1991GU04900073
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A NEW MECHANISM FOR THE FORMATION OF METEORITIC KEROGEN-LIKE MATERIAL
METEORITICS
1991; 26 (4): 374-375
View details for Web of Science ID A1991HF77900167
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A NEW MECHANISM FOR THE FORMATION OF METEORITIC KEROGEN-LIKE MATERIAL
SCIENCE
1991; 252 (5002): 109-112
Abstract
The carbon in ancient carbonaceous chondritic meteorites is mainly in a hydrocarbon composite similar to terrestrial kerogen, a cross-linked structure of aliphatic and aromatic hydrocarbons. Until recently, the composite has been commonly thought to have been produced in the early solar nebula by a Fischer-Tropsch-type process, involving the catalytic synthesis of hydrocarbons from carbon monoxide and hydrogen on grain surfaces. Instead, the aromatic hydrocarbons may form in gas-phase pyrolysis of simple aliphatics like acetylene and methane by a mechanism developed recently to explain formation of soot in combustion and of aromatic molecules in circumstellar envelopes. Nonequilibrium chemical kinetic calculations indicate that this mechanism can produce meteoritic aromatics if the initial concentration of simple hydrocarbons in the solar nebula was sufficiently but not unreasonably high.
View details for Web of Science ID A1991FE95200044
View details for PubMedID 17739082
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DETAILED SURFACE AND GAS-PHASE CHEMICAL-KINETICS OF DIAMOND DEPOSITION
PHYSICAL REVIEW B
1991; 43 (2): 1520-1545
View details for Web of Science ID A1991ET21800026
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Detailed modeling of soot particle nucleation and growth
Symposium (International) on Combustion
1991; 23 (1): 1559–1566
View details for DOI 10.1016/S0082-0784(06)80426-1
- The oxidation of methane at elevated pressures: preliminary experiments and modeling Chemical and Physical Processes in Combustion, the 1991 Fall Technical Meeting of the Eastern States Section of The Combustion Institute 1991
- Aromatics growth beyond the first ring and the nucleation of soot particles 202nd ACS National Meeting 1991
- The effect of gas composition on diamond film growth during chemical vapor deposition 201th National American Chemical Society Meeting 1991
- A computational study of sooting limits in laminar premixed ethane/oxygen/nitrogen flames Chemical and Physical Processes in Combustion, the 1991 Fall Technical Meeting of the Eastern States Section of The Combustion Institute 1991
- Suggested new origin of meteoritic kerogen 177th American Astronomical Society Meeting 1991
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A THERMOGRAVIMETRIC STUDY OF COAL DECOMPOSITION UNDER IGNITION CONDITIONS
THERMOCHIMICA ACTA
1990; 171: 193-206
View details for Web of Science ID A1990EK64400019
- Detailed mechanism reduction for flame modeling Chemical and Physical Processes in Combustion, the 1990 Fall Technical Meeting of the Eastern States Section of the Combustion Institute 1990
- Detailed modeling of silicon powder nucleation and growth in aerosol reactors American Association for Aerosol Research 1990 Annual Meeting 1990
- The role of hydrogen and oxygen in diamond growth SDIO/IST-ONR Diamond Technology Initiative Symposium 1989
- Modeling of PAH profiles in premixed flames Chemical and Physical Processes in Combustion, 1989 Fall Technical Meeting, The Eastern States Section, the Combustion Institute 1989
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A THERMOGRAVIMETRIC STUDY OF THE DECOMPOSITION RATE OF CHLORINATED POLYETHYLENES UNDER IGNITION CONDITIONS
THERMOCHIMICA ACTA
1988; 125: 247-259
View details for Web of Science ID A1988M053000022
- Optimization of a detailed methane combustion mechanism Twenty-Second International Symposium on Combustion 1988
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EFFECT OF OPERATING PARAMETERS ON TIME TO DECOMPOSITION OF HIGH-DENSITY POLYETHYLENE AND CHLORINATED POLYETHYLENES
THERMOCHIMICA ACTA
1987; 117: 157-166
View details for Web of Science ID A1987J472100018
- Degradation and ignition of chlorinated polyethylenes by TGA Proceedings of the 1986 Workshop and Symposium of the National Conference of Standards Laboratories 1986
- Effect of chlorine level on the rate of decomposition and combustion of chlorinated polyethylenes Forty-Second ACS Fall Scientific Meeting 1986
- Variance in the value of time to decomposition of chlorinated polyethylenes—effect of operating parameters Forty-Second ACS Fall Scientific Meeting 1986