A reaction mechanism having molecular growth up to benzene for hydrocarbon fuels with
up to four carbon-atoms was extended to include the formation and growth of polycyclic …

This work aims to develop a reaction mechanism for gasoline surrogate fuels (n-heptane, iso-octane
and toluene) with an emphasis on the formation of large polycyclic aromatic …

A soot model was developed based on the recently proposed PAH growth mechanism for C
1 –C 4 gaseous fuels (KAUST PAH Mechanism 2, KM2) that included molecular growth up …

This paper presents a theoretical study on the physical interaction between polycyclic aromatic
hydrocarbons (PAHs) and their clusters of different sizes in laminar premixed flames. Two …

In this work, we present a detailed model for the formation of soot in internal combustion
engines describing not only bulk quantities such as soot mass, number density, volume fraction, …

A detailed PAH growth model is developed, which is solved using a kinetic Monte Carlo
algorithm. The model describes the structure and growth of planar PAH molecules, and is …

Soot particles are composed of polycyclic aromatic hydrocarbons (PAHs), which have either
planar or curved structures. The oxidation behaviors of soot particles differ depending on …

An updated rate of O 2 oxidation of one to four ring polyaromatic hydrocarbons in premixed
flames is presented based on density function theory simulations of oxygen attack at different …

The reaction pathways for the oxidation by O 2 of polycyclic aromatic hydrocarbons present
in soot particles are investigated using density functional theory at B3LYP/6-311++G(d,p) …

In this work we present the new PAH-PP soot model and use a data collaboration approach
to determine some of its parameters. The model describes the formation, growth and …