Effects of maturity and temperature on soot density and specific heat

This paper presents an analysis of measurements of density and specific heat, coupled with X-ray crystallography data, for 47 solid polycyclic aromatic hydrocarbons (PAHs) spanning a range in carbon-to-hydrogen ratio (C/H) of 1.0-2.4. The results provide estimates of the dependence of the density and specific heat on C/H and temperature, parameterized for use in models of soot formation and chemical evolution. They are also applicable to models of the optical properties of soot particles at different levels of maturity at temperatures ranging from 0 to 4300 K. Comparisons of these parameterizations, extrapolated to values of C/H representative of highly carbonized particles, demonstrate excellent agreement with measured densities and specific heats of mature soot particles and polycrystalline and single-crystal graphite. This paper also presents a parameterization for the dependence of C/H on the dispersion exponent to facilitate the estimation of density and specific heat from optical measurements. (c) 2020 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Automated summary

This paper analyzes measurements of density and specific heat for solid polycyclic aromatic hydrocarbons (PAHs), providing estimates of their dependence on C/H ratio and temperature for use in models of soot formation and chemical evolution. The results are also applicable to models of optical properties of soot particles at different temperatures. Comparisons show excellent agreement with measurements of mature soot particles and graphite.