Kinetic Modeling Study of Polycyclic Aromatic Hydrocarbons and Soot Formation in Acetylene Pyrolysis

2014 ◽  
Vol 28 (2) ◽  
pp. 1489-1501 ◽  
Author(s):  
Chiara Saggese ◽  
Nazly E. Sánchez ◽  
Alessio Frassoldati ◽  
Alberto Cuoci ◽  
Tiziano Faravelli ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Kinetic Modeling ◽  
Aromatic Hydrocarbons ◽  
Soot Formation ◽  
Polycyclic Aromatic ◽  
Modeling Study

An experimental and kinetic modeling study of cyclopentadiene pyrolysis: First growth of polycyclic aromatic hydrocarbons

2014 ◽  
Vol 161 (11) ◽  
pp. 2739-2751 ◽  
Author(s):  
Marko R. Djokic ◽  
Kevin M. Van Geem ◽  
Carlo Cavallotti ◽  
Alessio Frassoldati ◽  
Eliseo Ranzi ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Kinetic Modeling ◽  
Aromatic Hydrocarbons ◽  
Polycyclic Aromatic ◽  
Modeling Study

scholarly journals Dimers of polycyclic aromatic hydrocarbons: the missing pieces in the soot formation process

2019 ◽  
Vol 21 (16) ◽  
pp. 8282-8294 ◽  
Author(s):  
X. Mercier ◽  
O. Carrivain ◽  
C. Irimiea ◽  
A. Faccinetto ◽  
E. Therssen
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Experimental Evidence ◽  
Aromatic Hydrocarbons ◽  
Diffusion Flame ◽  
Formation Process ◽  
Soot Formation ◽  
Laminar Diffusion Flame ◽  
Laminar Diffusion ◽  
Polycyclic Aromatic

Experimental evidence supporting the existence of PAH dimers in the proximity of the soot nucleation region of a methane laminar diffusion flame.

scholarly journals Polycyclic aromatic hydrocarbons (PAHs) and soot formation in the pyrolysis of the butanol isomers

Fuel ◽  
2017 ◽  
Vol 197 ◽  
pp. 348-358 ◽  
Author(s):  
F. Viteri ◽  
S. Gracia ◽  
Á. Millera ◽  
R. Bilbao ◽  
M.U. Alzueta
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Soot Formation ◽  
Polycyclic Aromatic

Polycyclic Aromatic Hydrocarbons and Soot Emissions in Oxygenated Ethylene Diffusion Flames at Elevated Pressures

2019 ◽  
Vol 141 (7) ◽  
Author(s):  
Krishna C. Kalvakala ◽  
Suresh K. Aggarwal
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Volume Fraction ◽  
Diffusion Flames ◽  
Soot Formation ◽  
Computational Study ◽  
Flame Temperature ◽  
Elevated Pressures ◽  
Polycyclic Aromatic ◽  
Soot Emissions

We report herein a computational study to characterize the effect of oxygenation on polycyclic aromatic hydrocarbons (PAHs) and soot emissions in ethylene diffusion flames at pressures 1–8 atm. Laminar oxygenated flames are established in a counterflow configuration by using N2 diluted fuel stream along with O2-enriched oxidizer stream such that the stoichiometric mixture fraction (ζst) is varied, but the adiabatic flame temperature is not materially changed. Simulations are performed using a validated fuel chemistry model and a detailed soot model. The primary objective is to enhance the fundamental understanding of PAHs and soot formation in oxygenated flames at elevated pressures. At a given pressure, as the level of oxygenation (ζst) is increased, we observe a significant reduction in PAHs (benzene and pyrene) and consequently in soot formation. On the other hand, at a fixed ζst, as pressure is increased, it leads to increased PAHs formation and thus higher soot emission. Both soot number density and soot volume fraction increase with pressure. The reaction path analysis indicates that at higher pressures, the C2/C4 path becomes more significant for benzene formation compared to the propargyl recombination path. Results further indicate that the effectiveness of oxygenation in reducing the formation of pyrene and soot becomes less pronounced at higher pressures. In contrast, the effect of pressure on pyrene and soot formation becomes more pronounced at higher oxygenation levels. The behavior can be explained by examining the flame structure and hydrodynamics effects at different pressure and oxygenation levels.

scholarly journals Facile pentagon formation in the dissociation of polyaromatics

2017 ◽  
Vol 19 (4) ◽  
pp. 2974-2980 ◽  
Author(s):  
Arjen J. de Haas ◽  
Jos Oomens ◽  
Jordy Bouwman
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Soot Formation ◽  
Planetary Atmospheres ◽  
Pivotal Role ◽  
Polycyclic Aromatic ◽  
Circumstellar Environments

Energetic processing of gaseous polycyclic aromatic hydrocarbons (PAHs) plays a pivotal role in the chemistries of inter- and circumstellar environments, certain planetary atmospheres, and also in the chemistry of combustion and soot formation.

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