A numerical model of the synthesis of carbon black by benzene pyrolysis

Abstract

A numerical model has been developed to predict the formation of carbon black particles by benzene pyrolysis. The approach, patterned after the work of Jensen, assumes that particle formation is controlled by four steps: gas phase reactions producing radical species, nucleation, growth and coagulation, and oxidation. In the present model, 15 reactions based on the work of Fujii and Asaba are used to describe the gas phase kinetics in which the phenyl radical is treated as the important intermediate in the formation of carbon black. A discrete distribution of 10 particle radii is also used to approximate the simultaneous growth and coagulation of spherical carbon particles. The results of the model show that a self-preserving log normal distribution of carbon particles develops after an initial nucleation and growth period. The model results also compare favorably with reactor data. In particular, the numerical model predicts a mass median carbon particle diameter to within 10% of measured values.

Recent research and development of combustion simulation

“…Ivie and Forneys model [53] considers the soot formation process as four steps: fuel pyrolysis, inception, particle coagulation, and oxidation [127]. Hayashi and colleagues [45] investigated soot formation by benzene pyrolysis in an alumina tube.…”

Statistical Analysis of Mean Apparent Diameter of Carbon Black Aggregates

“…Previous experiments have reported the local concentration of chemical species (Arai and Hiroyasu, 1988;Bento et al, 2006;Yang and Koylu, 2003) and the carbon aggregation (Maricq et al, 2003(Maricq et al, , 2006Yang and Koylu, 2003). Analytical works have treated the elementary reaction of carbon formation (Richter and Howard, 2000), the reaction kinetics (Abbas and Lockwood, 1985;Blanquart and Pitsch, 2009;Ivie and Forney, 1988;Lockood et al, 1985;Magnussen and Hjertager, 1978), size of carbon aggregates (Abid et al, 2008), the stochastic model of aggregation (Meakin, 1984a(Meakin, , 1984b, and the turbulent reaction model (Abbas and Lockwood, 1985). Despite these efforts, controlling the carbon aggregation in the industrial furnace is still challenging since integration of academic knowledge is far from perfect.…”

Monte Carlo simulation for morphology of nanoparticles and particle size distributions: comparison of the cluster–cluster aggregation model with the sectional method

“…Therefore, it can be expected to calculate the aggregate structure in detail. In addition, Shishido et al (2007) combined a discrete sectional model considering the chemical reaction model (Ivie and Forney 1988) with the AMP model. In the combined model, the realistic aggregate structure was obtained, including chemical reactions, nucleation, surface growth, coagulation, and sintering.…”