• Publications
  • Influence
Kinetic and thermodynamic issues in the formation of aromatic compounds in flames of aliphatic fuels
We have formulated a chemical kinetic model to predict the growth of higher hydrocarbons in a lightly sooting C2H2/O2/Ar flame. The predictions of the model compare favorably with the experimentalExpand
  • 667
  • 18
Kinetic Modeling of the Oxidation of Ammonia in Flames
Abstract We have investigated theoretically a variety of burner-stabilized and freely propagating NH3/2 and NH3/H2/2. flames. The agreement between theory and experiment is generally good except,Expand
  • 174
  • 5
Toward a comprehensive chemical kinetic mechanism for the oxidation of acetylene: Comparison of model predictions with results from flame and shock tube experiments
A chemical kinetic model for the oxidation of acetylene is presented. The model is usedto calculate flame speeds for adiabatic, freely propagating flames, composition profiles for lean and moderatelyExpand
  • 163
  • 4
Photoionization mass spectrometric studies and modeling of fuel-rich allene and propyne flames.
Abstract Flame-sampling photoionization mass spectrometry is used for measurements of the absolute molar composition of fuel-rich ( ϕ  = 1.8) low-pressure laminar flames of allene and propyne. TheExpand
  • 35
  • 3
The Mutagenicity of Chemical Carcinogens: Correlations, Problems, and Interpretations
Mutagenesis and carcinogenesis are complex cellular processes which are grossly similar in that each produces heritable changes in phenotype. Experimental mutagenesis by a pure chemical agent wasExpand
  • 225
  • 2
Mechanism and modeling of hydrogen cyanide oxidation in a flow reactor
Abstract The oxidation of hydrogen cyanide under flow reactor conditions (atmospheric pressure, 900–1400 K) has been examined. The study is based mainly on experimental data from the literature onExpand
  • 82
  • 2
Nitromethane dissociation: Implications for the CH3 + NO2 reaction
The thermal decomposition of nitromethane under highly diluted conditions in shock tubes has been analyzed in terms of a detailed chemical kinetic model. The experimental data were adopted fromExpand
  • 57
  • 2
Unimolecular dissociation of hydroxypropyl and propoxy radicals
Abstract Unimolecular pressure- and temperature-dependent decomposition rate coefficients of radicals derived from n - and i -propanol by H-atom abstraction are calculated using a time-dependentExpand
  • 13
  • 2
A theoretical analysis of the reaction between hydrogen atoms and isocyanic acid
Using BAC-MP4 potential-surface parameters, supplemented by an MP2 normal-mode analysis at one transition state, and statistical theoretical methods, we have computed thermal rate coefficients forExpand
  • 17
  • 2
Reaction of esters of aromatic N-hydroxy amines and amides with methionine in vitro: A model for in vivo binding of amine carcinogens to protein
Abstract The in vivo formation of protein- and nucleic acid-bound derivatives of carcinogenic aromatic amines and their possible roles in carcinogenesis have received considerable study (reviewed inExpand
  • 129
  • 1