Measurements and modeling of SiCl4 combustion in a low-pressure H2/O2 flame

Theoretical Reassessment and Model Validation of Some Kinetic Parameters Relevant to Si/Cl/H Systems

“…The Lennard-Jones parameters (σ and ϵ) obtained in this study are 6.90, 6.63, and 6.31 Å and 156, 118, and 95 K for SiCl 4 , SiHCl 3 , and SiHCl 2 , respectively. They differ significantly from the estimated parameters proposed by Moore et al 19 (5.64 Å and 390 K for SiCl 4 ).…”

Modeling analysis on the silica glass synthesis in a hydrogen diffusion flame

“…Those droplets with temperature from 1500 to 2500 K account for 3%, and those with extremely high temperature above 4500 K account for only 0.1% of the total number. As suggested in [9] that the condensation of silicon oxides brings the total heat release up to about the same amount as for the water formation, while the heat release during the exothermic reactions of SiCl 4 hydrolysis can be ignored compared to that for the combustion of H 2 and O 2 . The thermal effect of condensation was considered in the modeling by adding the latent heat of condensation as the source term of heat balance equation for growing droplets.…”

“…The effect of silica formation on flame temperature and OH concentration was also experimentally and numerically observed in counterflow oxy-hydrogen flames [8], where the modeling incorporated detailed mechanism with H 2 /O 2 reactions, silica generating reactions and chlorinated species reactions. Based on a modified kinetics mechanism for the combustion of SiCl 4 in an H 2 /O 2 /Ar flame, the effect of SiCl 4 addition on the flame temperature and OH concentration was modeled and compared with the measurements by Laser-induced fluorescence (LIF) [9], where the underprediction of OH concentration is expected to be improved by considering particle formation and surface chemistry in the future study. Equilibrium analysis [9] also suggested that the flame temperature rise at SiCl 4 addition is mainly attributed to the condensation of silicon oxides since the heat release in the combustion of SiCl 4 is much small compared to that in the reaction between H 2 and O 2 .…”

“…Based on a modified kinetics mechanism for the combustion of SiCl 4 in an H 2 /O 2 /Ar flame, the effect of SiCl 4 addition on the flame temperature and OH concentration was modeled and compared with the measurements by Laser-induced fluorescence (LIF) [9], where the underprediction of OH concentration is expected to be improved by considering particle formation and surface chemistry in the future study. Equilibrium analysis [9] also suggested that the flame temperature rise at SiCl 4 addition is mainly attributed to the condensation of silicon oxides since the heat release in the combustion of SiCl 4 is much small compared to that in the reaction between H 2 and O 2 . A simple kinetic mechanism describing the formation of silica starting from the SiCl 4 combustion in high-temperature oxy-hydrogen flames were developed to reveal the impact of reaction channels on the overall reaction, where the reactivity of SiCl 4 towards H 2 O is highly favored over its dissociation [10].…”

Deposition of SiO2Nanoparticles Produced in a Turbulent H2/Om2Flame

“…The central nozzle carried 30% oxygen plus the precursor, however the complicated reaction of SiCl 4 has not been modeled and this part of the volume flux was replaced by nitrogen. The main reason for neglecting this reaction mechanism was its complexity and related uncertainties, see Moore et al (2006).…”