The route by which gas-phase molecules in hydrocarbon flames form condensed-phase
carbonaceous nanoparticles (incipient soot) is reviewed. These products of incomplete …

The mechanism of carbon particulate (soot) inception has been a subject of numerous
studies and debates. The article begins with a critical review of prior proposals, proceeds to …

The management and disposal of flowback and produced waters (FP water) is one of the
greatest challenges associated with unconventional oil and gas development. The …

A novel model called Surface Shell Formation (SSF) is developed which predicts soot
maturity based on the equilibrium nanostructure of poly aromatic hydrocarbons (PAHs) …

The formation mechanism of polycyclic aromatic hydrocarbons (PAH) with three fused
aromatic rings starting from naphthalene has been studied using accurate ab initio G3 (MP2 …

A newly-developed detailed mechanism of soot oxidation was tested against experimental
observations. The computations were performed at an atomistic level and with a detailed …

A new detailed chemical-kinetic Monte Carlo model of graphene-edge growth is presented.
The model employs a fine-grained approach to chemically resolved species, allows for …

The thermal stability of cross-links between polycyclic aromatic hydrocarbons (PAHs) is
critical for understanding the formation of soot pollutants, graphite, and carbon blacks …

A new model for condensation of polycyclic aromatic hydrocarbons (PAHs) on the surface of
soot particles is developed based on the reversibility of the process. Statistical mechanics …

The intent of the current work is to present and further validate a new tri-variate model for the
formation of soot particles, to apply this model in analyzing the effects of temperature on the …