Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

Fossil fuel-derived soot poses a persistent problem. A joint reduction is conducted via the
reaction between NO x and soot. The underlying reaction mechanisms of large polycyclic …

This work aims to identify the relationship between the temperature and soot formation in the
C 2 H 2 laminar flames. The effects of flow rates and equivalence ratios on the flame …

This work presents a dynamic and kinetic study on the dimerization of polycyclic aromatic
hydrocarbon (PAH) molecules and radicals under flame conditions using reactive force field …

In this article, a coupled PBE-CFD framework has been proposed to study counterflow non-
premixed flames and soot formation under an external electric field. This framework …

In this work, soot particle size distributions in iron-doped premixed ethylene flames are
examined using scanning mobility particle sizer measurements. It is found that iron addition …

In this work, pyrene adsorption on the surface of a 2-nm iron oxide nanoparticle over the
temperature range of 600–2500 K is studied by ReaxFF molecular dynamics simulations …

Coal-combustion-generated soot can be a source of particulate emissions and significantly
affects the temperature profile inside the practical boiler. In this work, we experimentally …

In this work, the kinetics of seven-member ring formation in polycyclic aromatic
hydrocarbons (PAHs) containing a five-member ring is studied by density functional theory …

This study investigated the influence of CaCl 2 on fine particulate matter (PM 0.5) formation
during coal pyrolysis. Two acid-washed coals were loaded with different amount of CaCl 2 …