Particles containing soot, or black carbon, are generally considered to contribute to global warming. However, large uncertainties remain in the net climate forcing resulting from anthropogenic emissions of black carbon (BC), to a large extent due to the fact that BC is co-emitted with gases and primary particles, both organic and inorganic, and subject to atmospheric ageing processes. In this ...

Molecular simulations (energy minimizations and molecular dynamics) of an n-hexane soot model developed by Smith and co-workers (M. S. Akhter, A. R. Chughtai and D. M. Smith, Appl. Spectrosc., 1985, 39, 143; ref. 1) were performed. The MM+ (N. L. Allinger, J. Am. Chem. Soc., 1977, 395, 157; ref. 2) and COMPASS (H. Sun, J. Phys. Chem., 1998, 102, 7338; ref. 3) force ®elds were tested for their a...

Epidemiological and toxicological studies have shown a relation between the inhalation of atmospheric particles and adverse cardiopulmonary health effects. The generation of reactive oxygen species (ROS) by particles is one current hypothesis for their toxic effects. Thus a quantitative measurement of ROS is important since that will be an index to assess the oxidative stress that particles may...

A new crosslinking reaction between two pentagonal rings around the periphery of planar pericondensed aromatic molecules is proposed and its impact on soot nanoparticle formation explored. The mechanism was computed, using density functional theory, an aryl-type σ-radical a rim-based ring attacking another ring. hydrogen migration allowed for double bond forming penta-linked hydrocarbon (APLH) ...

The surface diffusion-induced reaction accounts for the unexpected high rates in cases of soot formation.

At present, partial oxidation is applied in the filtration processes of biomass hot gas to aid solving blockage problems caused by tar and dust condensates. However, resulting high-temperature oxygen-limited environment, risk polymerization forming soot created during purification processes. Thus, this work established a hardware-in-the-loop simulation model using Lagrangian method coupled with...