Many practical soot-emitting combustion systems such as diesel and jet engines rely on
diffusion flames for efficient and reliable operation. Efforts to mitigate soot emissions from …

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 …

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 …

Using pyridine nitrogen as representative of nitrogen-containing char model, detailed
theoretical calculations based on DFT (density functional theory) and conventional TST …

Resonantly stabilized radicals, such as propargyl, cyclopentadienyl, benzyl, and indenyl,
play a vital role in the formation and growth of polycyclic aromatic hydrocarbons (PAHs) that …

This work develops a detailed chemical kinetic model for Polycyclic Aromatic Hydrocarbon
(PAH) chemistry that builds on a chemical model for gasoline surrogates by Cai et al.[Proc …

An experimental investigation of phenyl radical pyrolysis and the phenyl radical+ acetylene
reaction has been performed to clarify the role of different reaction mechanisms involved in …