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Combustion and Flame, ISSN 0010-2180, 06/2019, Volume 204, p. 331
Soot particles are composed of planar and curved polycyclic aromatic hydrocarbons with different types of reactive sites, where their growth and oxidation... 
Polycyclic aromatic hydrocarbons | Hydrogen | Analysis | Density functionals
Journal Article
Combustion and Flame, ISSN 0010-2180, 06/2019, Volume 204, pp. 331 - 340
Soot particles are composed of planar and curved polycyclic aromatic hydrocarbons with different types of reactive sites, where their growth and oxidation... 
Soot growth | Transition state theory | PAH | Density functional theory | Kinetics
Journal Article
Combustion and Flame, ISSN 0010-2180, 06/2019, Volume 204, pp. 331 - 340
Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 06/2016, Volume 55, Issue 24, pp. 6743 - 6752
With tight regulations on the permissible sulfur content in transportation fuels, the oil and gas industry is mandated to adopt reliable and cost-effective... 
Destruction | Decomposition reactions | Carbon dioxide | Synthetic fuels | Decomposition | Sulfur | Recovery | Natural gas
Journal Article
Combustion and Flame, ISSN 0010-2180, 03/2016, Volume 165, pp. 21 - 33
Soot particles are composed of polycyclic aromatic hydrocarbons with different types of reactive sites that are involved in their growth and oxidation... 
Density functional theory | Kinetic mechanism | Transition state theory | Oxidation | PAH | Soot
Journal Article
Combustion and Flame, ISSN 0010-2180, 03/2016, Volume 165, p. 21
Soot particles are composed of polycyclic aromatic hydrocarbons with different types of reactive sites that are involved in their growth and oxidation... 
Density functionals | Oxidation-reduction reaction | Chemical properties | Polycyclic aromatic hydrocarbons | Activation energy | Analysis
Journal Article
Combustion and Flame, ISSN 0010-2180, 03/2016, Volume 165, pp. 21 - 33
Soot particles are composed of polycyclic aromatic hydrocarbons with different types of reactive sites that are involved in their growth and oxidation... 
Polycyclic aromatic hydrocarbons | Pathways | Soot | Carbon dioxide | Oxidation | Reaction mechanisms | Carbon | Radicals
Journal Article
International Journal of Chemical Kinetics, ISSN 0538-8066, 12/2018, Volume 50, Issue 12, pp. 880 - 896
Carbonyl sulfide (COS), carbon disulfide (CS2), and mercaptans (e.g., CH3SH) are unwanted sulfurous species that are produced in sulfur recovery units (SRUs).... 
Claus process | mercaptans | CBS‐QB3 | carbonyl sulfide | reaction mechanism | kinetic simulation | CBS-QB3 | ATOMIC-HYDROGEN | CS2 | COS | AB-INITIO | CHEMISTRY, PHYSICAL | ACID GASES | SULFUR | OH RADICALS | TEMPERATURE | RATE CONSTANTS | CHEMISTRY | Sulfides | Models | Thiols | Furnaces | Chemical reaction, Rate of
Journal Article
ISSN 1463-9076, 7/2017, Volume 19, Issue 29, pp. 19262 - 19278
Resonantly stabilized radicals, such as propargyl, cyclopentadienyl, benzyl, and indenyl, play a vital role in the formation and growth of polycyclic aromatic... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2016, Volume 18, Issue 11, pp. 8120 - 8131
The role of resonantly stabilized radicals such as propargyl, cyclopentadienyl and benzyl in the formation of aromatic hydrocarbons such as benzene and... 
LAMINAR DIFFUSION FLAMES | PROPARGYL RADICALS | RECOMBINATION | GROWTH-MECHANISM | DISSOCIATION | REACTION-MECHANISM | SULFUR-DIOXIDE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | TOLUENE | CHEMISTRY, PHYSICAL | CLAUS PROCESS | LOW-PRESSURE | Models, Theoretical | Benzene - chemistry | Kinetics | Free Radicals | Polycyclic Aromatic Hydrocarbons - chemistry
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 03/2016, Volume 18, Issue 11, pp. 8120 - 8131
The role of resonantly stabilized radicals such as propargyl, cyclopentadienyl and benzyl in the formation of aromatic hydrocarbons such as benzene and... 
Anthracene | Phenanthrene | Polyallylamine hydrochloride | Naphthalene | Reaction kinetics | Formations | High temperature environments | Radicals
Journal Article
Applied Thermal Engineering, ISSN 1359-4311, 06/2019, Volume 156, pp. 576 - 586
Journal Article
Energy Procedia, ISSN 1876-6102, 2015, Volume 66, pp. 61 - 64
Claus process, consisting of a furnace and catalytic reactors, is used to recover sulfur from H2S found in raw natural gas and gases from refineries. H2S is... 
Claus process | Toulene | DFT | Benzene | Xylene | SO2
Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 06/2016, Volume 55, Issue 24, pp. 6743 - 6752
With tight regulations on the permissible sulfur content in transportation fuels, the oil and gas industry is mandated to adopt reliable and cost-effective... 
OXIDATION | ENGINEERING, CHEMICAL | THERMOLYSIS | COMBUSTION | REACTION-MECHANISM | DECOMPOSITION | TOLUENE | CLAUS FURNACE CONDITIONS | HYDROGEN-SULFIDE | SEPARATION | PYROLYSIS
Journal Article
Combustion and Flame, ISSN 0010-2180, 09/2013, Volume 160, Issue 9, pp. 1667 - 1676
Journal Article
Journal of the American College of Cardiology, ISSN 0735-1097, 08/2017, Volume 70, Issue 9, pp. 1121 - 1131
Journal Article
Combustion and Flame, ISSN 0010-2180, 11/2017, Volume 185, p. 129
The formation of polycyclic aromatic hydrocarbons (PAHs) in high temperature environments is an ongoing area of research due to the mismatch between the... 
Studies | Phenanthrene | Methyl radicals | Polycyclic aromatic hydrocarbons | Computer simulation | Functionals | Reaction kinetics | High temperature | High temperature environments | Reaction mechanisms | Aliphatic compounds
Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 10/2017, Volume 56, Issue 41, pp. 11713 - 11725
An increase in the exploitation of sour reservoirs with a high content of acid gas (mainly H2S and CO2) and the enforcement of stringent emission standards... 
OXIDATION | ENGINEERING, CHEMICAL | DESTRUCTION | COMBUSTION | REACTION-MECHANISM | DIOXIDE | HYDROGEN-PRODUCTION | MODEL | PYROLYSIS | SIMULATION | SULFIDE
Journal Article
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