All Stories

  1. Correction to “Rate Constant Rules for the Automated Generation of Gas-Phase Reaction Mechanisms”

    Article • The Journal of Physical Chemistry A, October 2018, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  2. Correction: Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism – a gas-phase ab initio study

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Professor Emeritus Anthony M Dean

  3. Impact of the Molecular Structure on Olefin Pyrolysis

    Article • Energy & Fuels, May 2017, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  4. Experimental and kinetic modeling study of butene isomer pyrolysis: Part II. Isobutene

    Article • Combustion and Flame, February 2017, Elsevier

    Professor Emeritus Anthony M Dean

  5. Experimental and kinetic modeling study of butene isomer pyrolysis: Part I. 1- and 2-Butene

    Article • Combustion and Flame, November 2016, Elsevier

    Professor Emeritus Anthony M Dean

  6. Comparative Kinetic Analysis of Ethane Pyrolysis at 0.1 and 2.0 MPa

    Article • Energy & Fuels, October 2016, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  7. Investigation of Iso-octane Ignition and Validation of a Multizone Modeling Method in an Ignition Quality Tester

    Article • Energy & Fuels, September 2016, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  8. Chemical Kinetics: A CS Perspective

    Article • Computing in Science & Engineering, September 2016, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Emeritus Anthony M Dean

  9. Ab initio study of the influence of resonance stabilization on intramolecular ring closure reactions of hydrocarbon radicals

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Professor Emeritus Anthony M Dean

  10. The impact of fuel evaporation on the gas-phase kinetics in the mixing region of a diesel autothermal reformer

    Article • International Journal of Hydrogen Energy, December 2015, Elsevier

    Professor Emeritus Anthony M Dean

  11. Fundamentally-based kinetic model for propene pyrolysis

    Article • Combustion and Flame, December 2015, Elsevier

    Professor Emeritus Anthony M Dean

  12. Impact of Finite Mixing on Gas-Phase Partial Oxidation for Selective Removal of Deposit Precursors from Gasifier Outlet Streams

    Article • Energy & Fuels, October 2015, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  13. A comparison of H2S, SO2, and COS poisoning on Ni/YSZ and Ni/K2O-CaAl2O4 during methane steam and dry reforming

    Article • Applied Catalysis A General, August 2015, Elsevier

    Professor Emeritus Anthony M Dean

  14. The Impact of Resonance Stabilization on the Intramolecular Hydrogen-Atom Shift Reactions of Hydrocarbon Radicals

    Article • ChemPhysChem, July 2015, Wiley

    Professor Emeritus Anthony M Dean

  15. Reactivity–Structure-Based Rate Estimation Rules for Alkyl Radical H Atom Shift and Alkenyl Radical Cycloaddition Reactions

    Article • The Journal of Physical Chemistry A, January 2015, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  16. Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism – a gas-phaseab initiostudy

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Emeritus Anthony M Dean

  17. Reactions of allylic radicals that impact molecular weight growth kinetics

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Emeritus Anthony M Dean

  18. Experiments and Computational Fluid Dynamics Modeling Analysis of Large n-Alkane Ignition Kinetics in the Ignition Quality Tester

    Article • Energy & Fuels, June 2014, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  19. Coupled transport and kinetics in the mixing region for hydrocarbon autothermal reforming applications

    Article • International Journal of Hydrogen Energy, December 2013, Elsevier

    Professor Emeritus Anthony M Dean

  20. Simulation of n-Heptane and Surrogate Fuels for Advanced Combustion Engines (FACE) in a Single-Cylinder Compression Ignition Engine

    Article • October 2013, ASME International

    Professor Emeritus Anthony M Dean

  21. Insights into the Glycyl Radical Enzyme Active Site of Benzylsuccinate Synthase: A Computational Study

    Article • Journal of the American Chemical Society, August 2013, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  22. Ignition Quality Tester (IQT) Investigation of the Negative Temperature Coefficient Region of Alkane Autoignition

    Article • Energy & Fuels, March 2013, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  23. The effects of multicomponent fuel droplet evaporation on the kinetics of strained opposed-flow diffusion flames

    Article • Combustion and Flame, February 2013, Elsevier

    Professor Emeritus Anthony M Dean

  24. RCARM: Reaction classification using automated reaction mapping

    Article • International Journal of Chemical Kinetics, December 2012, Wiley

    Professor Emeritus Anthony M Dean

  25. High-Pressure Rate Rules for Alkyl + O2 Reactions. 2. The Isomerization, Cyclic Ether Formation, and β-Scission Reactions of Hydroperoxy Alkyl Radicals

    Article • The Journal of Physical Chemistry A, May 2012, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  26. Investigation of gas-phase reactions in the mixing region for hydrocarbon autothermal reforming applications

    Article • International Journal of Hydrogen Energy, May 2012, Elsevier

    Professor Emeritus Anthony M Dean

  27. Numerical and Experimental Investigation ofn-Heptane Autoignition in the Ignition Quality Tester (IQT)

    Article • Energy & Fuels, December 2011, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  28. A quantitative kinetic analysis of CO elimination from phenoxy radicals

    Article • International Journal of Chemical Kinetics, November 2011, Wiley

    Professor Emeritus Anthony M Dean

  29. High-Pressure Rate Rules for Alkyl + O2Reactions. 1. The Dissociation, Concerted Elimination, and Isomerization Channels of the Alkyl Peroxy Radical

    Article • The Journal of Physical Chemistry A, November 2011, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  30. Kinetic Modeling of Ethane Pyrolysis at High Conversion

    Article • The Journal of Physical Chemistry A, September 2011, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  31. The effects of liquid-fuel thermophysical properties, carrier-gas composition, and pressure, on strained opposed-flow non-premixed flames

    Article • Combustion and Flame, June 2011, Elsevier

    Professor Emeritus Anthony M Dean

  32. Direct Detection of Products from the Pyrolysis of 2-Phenethyl Phenyl Ether

    Article • The Journal of Physical Chemistry A, February 2011, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  33. Impact of gas-phase reactions in the mixing region upstream of a diesel fuel autothermal reformer

    Article • Journal of Power Sources, February 2011, Elsevier

    Professor Emeritus Anthony M Dean

  34. Detailed Modeling of Low-Temperature Propane Oxidation: 1. The Role of the Propyl + O2Reaction

    Article • The Journal of Physical Chemistry A, June 2010, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  35. Selective Removal of Ethylene, a Deposit Precursor, from a “Dirty” Synthesis Gas Stream via Gas-Phase Partial Oxidation

    Article • The Journal of Physical Chemistry A, June 2010, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  36. Expanding the Experimental Capabilities of the Ignition Quality Tester for Autoigniting Fuels

    Article • SAE International Journal of Fuels and Lubricants, April 2010, SAE International

    Professor Emeritus Anthony M Dean

  37. Impact of Gas-Phase Reactions on SOFC Systems Operating on Diesel and Biomass-Derived Fuels

    Article • Materials Science Forum, January 2010, Trans Tech Publications

    Professor Emeritus Anthony M Dean

  38. Development of Detailed Kinetic Models for the Thermal Conversion of Biomass via First Principle Methods and Rate Estimation Rules

    Article • January 2010, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  39. Kinetic Analysis of C[sub 4] Alkane and Alkene Pyrolysis: Implications for SOFC Operation

    Article • Journal of Fuel Cell Science and Technology, January 2010, ASME International

    Professor Emeritus Anthony M Dean

  40. Non-catalytic partial oxidation of bio-oil to synthesis gas for distributed hydrogen production

    Article • International Journal of Hydrogen Energy, October 2009, Elsevier

    Professor Emeritus Anthony M Dean

  41. Rate Constant Rules for the Automated Generation of Gas-Phase Reaction Mechanisms†

    Article • The Journal of Physical Chemistry A, January 2009, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  42. Coupling Complex Reformer Chemical Kinetics with Three-Dimensional Computational Fluid Dynamics

    Article • January 2009, The Electrochemical Society

    Professor Emeritus Anthony M Dean

  43. Hydrocarbon Fuels in Solid Oxide Fuel Cells:  In Situ Raman Studies of Graphite Formation and Oxidation

    Article • The Journal of Physical Chemistry C, March 2008, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  44. Application of Model Fuels to Engine Simulation

    Article • July 2007, SAE International

    Professor Emeritus Anthony M Dean

  45. Hydrocarbon fuel effects in solid-oxide fuel cell operation: an experimental and modeling study of n-hexane pyrolysis

    Article • Physical Chemistry Chemical Physics, January 2007, Royal Society of Chemistry

    Professor Emeritus Anthony M Dean

  46. Chapter 4 The Kinetics of Pressure-Dependent Reactions

    Article • January 2007, Elsevier

    Professor Emeritus Anthony M Dean

  47. Rate constants for the H abstraction from alkanes (R–H) by R′O2 radicals: A systematic study on the impact of R and R′

    Article • Proceedings of the Combustion Institute, January 2007, Elsevier

    Professor Emeritus Anthony M Dean

  48. Performance predictions of a tubular SOFC operating on a partially reformed JP-8 surrogate

    Article • Journal of Power Sources, November 2006, Elsevier

    Professor Emeritus Anthony M Dean

  49. Comparison of conversion and deposit formation of ethanol and butane under SOFC conditions

    Article • Journal of Power Sources, July 2006, Elsevier

    Professor Emeritus Anthony M Dean

  50. Gas-phase reactions of methane and natural-gas with air and steam in non-catalytic regions of a solid-oxide fuel cell

    Article • Journal of Power Sources, June 2006, Elsevier

    Professor Emeritus Anthony M Dean

  51. Detailed kinetic modeling of ethane oxidation

    Article • Combustion and Flame, April 2006, Elsevier

    Professor Emeritus Anthony M Dean

  52. Methane reforming kinetics within a Ni–YSZ SOFC anode support

    Article • Applied Catalysis A General, October 2005, Elsevier

    Professor Emeritus Anthony M Dean

  53. Detailed Modeling of the Reaction of C2H5+ O2

    Article • The Journal of Physical Chemistry A, March 2005, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  54. The Influence of Heterogeneous Chemistry and Electrochemistry on Gas-Phase Molecular-Weight Growth and Deposit Formation

    Article • ECS Proceedings Volumes, January 2005, The Electrochemical Society

    Professor Emeritus Anthony M Dean

  55. Importance of Gas-Phase Kinetics within the Anode Channel of a Solid-Oxide Fuel Cell

    Article • The Journal of Physical Chemistry A, April 2004, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  56. Mechanism Generation with Integrated Pressure Dependence:  A New Model for Methane Pyrolysis

    Article • The Journal of Physical Chemistry A, October 2003, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  57. Homogeneous kinetics and equilibrium predictions of coking propensity in the anode channels of direct oxidation solid-oxide fuel cells using dry natural gas

    Article • Journal of Power Sources, September 2003, Elsevier

    Professor Emeritus Anthony M Dean

  58. Application of Computational Kinetic Mechanism Generation to Model the Autocatalytic Pyrolysis of Methane

    Article • Industrial & Engineering Chemistry Research, March 2003, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  59. The formation of ultrathin silicon oxide films using H2/N2O mixtures

    Article • Proceedings of the Combustion Institute, January 2002, Elsevier

    Professor Emeritus Anthony M Dean

  60. Computer Construction of Detailed Chemical Kinetic Models for Gas-Phase Reactors

    Article • Industrial & Engineering Chemistry Research, November 2001, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  61. Rate-based screening of pressure-dependent reaction networks

    Article • Computer Physics Communications, August 2001, Elsevier

    Professor Emeritus Anthony M Dean

  62. Mechanism of the Smokeless Rich Diesel Combustion by Reducing Temperature

    Article • March 2001, SAE International

    Professor Emeritus Anthony M Dean

  63. Kinetic Analysis of Complex Chemical Activation and Unimolecular Dissociation Reactions using QRRK Theory and the Modified Strong Collision Approximation

    Article • Zeitschrift für Physikalische Chemie, January 2000, De Gruyter

    Professor Emeritus Anthony M Dean

  64. Combustion Chemistry of Nitrogen

    Article • January 2000, Springer Science + Business Media

    Professor Emeritus Anthony M Dean

  65. A numerical study of the laminar flame speed of stratified methane/air flames

    Article • Proceedings of the Combustion Institute, January 2000, Elsevier

    Professor Emeritus Anthony M Dean

  66. Master equation analysis of intermolecular energy transfer in multiple-well, multiple-channel unimolecular reactions. II. Numerical methods and application to the mechanism of the C2H5+O2 reaction

    Article • The Journal of Chemical Physics, November 1999, American Institute of Physics

    Professor Emeritus Anthony M Dean

  67. Hydrogen abstraction rates via density functional theory

    Article • Chemical Physics Letters, October 1999, Elsevier

    Professor Emeritus Anthony M Dean

  68. Effect of Hydrocarbon Molecular Structure on Diesel Exhaust Emissions Part 2: Effect of Branched and Ring Structures of Paraffins on Benzene and Soot Formation

    Article • October 1998, SAE International

    Professor Emeritus Anthony M Dean

  69. Microcanonical Transition State Theory Rate Coefficients from Thermal Rate Constants via Inverse Laplace Transformation

    Article • The Journal of Physical Chemistry A, October 1998, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  70. Master equation analysis of intermolecular energy transfer in multiple-well, multiple-channel unimolecular reactions. I. Basic theory

    Article • The Journal of Chemical Physics, December 1997, American Institute of Physics

    Professor Emeritus Anthony M Dean

  71. Rate-Based Construction of Kinetic Models for Complex Systems

    Article • The Journal of Physical Chemistry A, May 1997, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  72. Bayesian method for global optimization

    Article • May 1997, American Physical Society (APS)

    Professor Emeritus Anthony M Dean

  73. Parameterization of pressure- and temperature-dependent kinetics in multiple well reactions

    Article • AIChE Journal, May 1997, Wiley

    Professor Emeritus Anthony M Dean

  74. Molecular density of states from estimated vapor phase heat capacities

    Article • International Journal of Chemical Kinetics, January 1997, Wiley

    Professor Emeritus Anthony M Dean

  75. CHEBYSHEV EXPANSIONS AND SENSITIVITY ANALYSIS FOR APPROXIMATING THE TEMPERATURE- AND PRESSURE-DEPENDENCE OF CHEMICALLY-ACTIVATED REACTIONS

    Article • Reviews in Chemical Engineering, January 1997, De Gruyter

    Professor Emeritus Anthony M Dean

  76. O + NNH: A possible new route for NOX formation in flames

    Article • International Journal of Chemical Kinetics, November 1995, Wiley

    Professor Emeritus Anthony M Dean

  77. Hydrogen Atom Bond Increments for Calculation of Thermodynamic Properties of Hydrocarbon Radical Species

    Article • The Journal of Physical Chemistry, September 1995, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  78. Radical Chemistry in Methane Oxidative Coupling: Tracing of Ethylene Secondary Reactions with Computer Models and Isotopes

    Article • The Journal of Physical Chemistry, December 1994, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  79. Analysis of the reactions H+N2O and NH+NO: Pathways and rate constants over a wide range of temperature and pressure

    Article • Symposium (International) on Combustion, January 1994, Elsevier

    Professor Emeritus Anthony M Dean

  80. The numerical solution of some kinetics models with VODE and CHEMKIN II

    Article • Computers & Chemistry, September 1993, Elsevier

    Professor Emeritus Anthony M Dean

  81. Hydrocarbon radical reactions with oxygen: comparison of allyl, formyl, and vinyl to ethyl

    Article • The Journal of Physical Chemistry, April 1993, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  82. Reactions of CH2 and CH with N2 and CH with NO

    Article • January 1993, Elsevier

    Professor Emeritus Anthony M Dean

  83. CHEMACT: A Computer Code to Estimate Rate Constants for Chemically-Activated Reactions

    Article • Combustion Science and Technology, November 1991, Taylor & Francis

    Professor Emeritus Anthony M Dean

  84. Chemical activation analysis of the reaction of ethyl radical with oxygen

    Article • The Journal of Physical Chemistry, April 1990, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  85. Kinetic study on thermal decomposition of chlorobenzene diluted in hydrogen

    Article • The Journal of Physical Chemistry, March 1990, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  86. Detailed kinetic modeling of autocatalysis in methane pyrolysis

    Article • The Journal of Physical Chemistry, February 1990, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  87. Forming benzene in flames by chemically activated isomerization

    Article • The Journal of Physical Chemistry, December 1989, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  88. Energized complex quantum Rice-Ramsperger-Kassel analysis on reactions of amidogen with hydroperoxo, oxygen and oxygen atoms

    Article • The Journal of Physical Chemistry, February 1989, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  89. Bimolecular QRRK analysis of methyl radical reactions

    Article • International Journal of Chemical Kinetics, March 1987, Wiley

    Professor Emeritus Anthony M Dean

  90. Prediction of rate constants for combustion and pyrolysis reactions by bimolecular QRRK

    Article • AIChE Journal, December 1986, Wiley

    Professor Emeritus Anthony M Dean

  91. Predictions of pressure and temperature effects upon radical addition and recombination reactions

    Article • The Journal of Physical Chemistry, October 1985, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  92. Excimer laser perturbations of methane flames: High temperature reactions of OH and CH

    Article • International Journal of Chemical Kinetics, October 1985, Wiley

    Professor Emeritus Anthony M Dean

  93. Kinetics of rich ammonia flames

    Article • International Journal of Chemical Kinetics, June 1984, Wiley

    Professor Emeritus Anthony M Dean

  94. Laser induced fluorescence and absorption measurements of NO in NH3/O2 and CH4/air flames

    Article • The Journal of Chemical Physics, May 1983, American Institute of Physics

    Professor Emeritus Anthony M Dean

  95. Nitrogen Chemistry in Flames

    Article • April 1983, American Chemical Society (ACS)

    Professor Emeritus Anthony M Dean

  96. Kinetics and mechanism of NH3 oxidation

    Article • Symposium (International) on Combustion, January 1982, Elsevier

    Professor Emeritus Anthony M Dean

  97. Shock tube studies of the N2O/CH4/CO/Ar and N2O/C2H6/CO/Ar systems

    Article • Combustion and Flame, January 1980, Elsevier

    Professor Emeritus Anthony M Dean

  98. Shock-tube studies of formaldehyde oxidation

    Article • Combustion and Flame, January 1980, Elsevier

    Professor Emeritus Anthony M Dean

  99. Shock tube studies of formaldehyde pyrolysis

    Article • Symposium (International) on Combustion, January 1979, Elsevier

    Professor Emeritus Anthony M Dean

  100. Shock tube studies of the N2O/Ar and N2O/H2/Ar systems

    Article • International Journal of Chemical Kinetics, May 1976, Wiley

    Professor Emeritus Anthony M Dean

  101. N2O Dissociation behind reflected shock waves

    Article • International Journal of Chemical Kinetics, May 1975, Wiley

    Professor Emeritus Anthony M Dean

  102. Reaction of atomic oxygen with carbon dioxide behind reflected shock waves

    Article • The Journal of Chemical Physics, January 1974, American Institute of Physics

    Professor Emeritus Anthony M Dean

  103. On-Line Computer Acquisition of Data from a Shocktube Experiment*.

    Article • Instrumentation Science & Technology, January 1974, Taylor & Francis

    Professor Emeritus Anthony M Dean

  104. Dissociation of carbon dioxide behind reflected shock waves

    Article • The Journal of Chemical Physics, June 1973, American Institute of Physics

    Professor Emeritus Anthony M Dean

  105. Effect of Organic Impurities on the Observed Activation Energy of CO2 Dissociation

    Article • The Journal of Chemical Physics, February 1971, American Institute of Physics

    Professor Emeritus Anthony M Dean

  106. Oxidation of Carbon Monoxide by Oxygen in Shock Waves

    Article • The Journal of Chemical Physics, July 1970, American Institute of Physics

    Professor Emeritus Anthony M Dean