Zeitschrift für anorganische und allgemeine Chemie · 2003 · 27 citations · 15 references
EngineeringChemical EngineeringChemistryChemical KineticsCombustionThermodynamicsChemical Kinetics ModelingCombustion FundamentalsCombustion KineticsCombustion ProcessesCombustion ThermodynamicsGas-phase Reaction KineticsCombustion ChemistryCombustion ReactionsDetailed Kinetic MechanismsGas-phase ReactionsQuantum Chemical ModelingReactivity
Abstract A simple kinetic model describing the molecular gas phase reactions during the formation of fumed silica (AEROSIL®) was developed. The focus was on the formation of molecular SiO 2 , starting from SiCl 4 , hydrogen and oxygen. Wherever available, kinetic and thermodynamic parameters were taken from the literature. All other parameters are based on quantum chemical calculations. From these data, an adiabatic model for the combustion reaction has been developed. It was found that a significant amount of molecular SiO 2 forms after about 0.1 and 0.6 ms at starting temperatures between 1000 and 2000 K. The initial reaction of the SiCl 4 combustion in a hydrogen/oxygen flame was found to be different from the combustion in air: The high reactivity of SiCl 4 towards water is favored over the SiCl 4 dissociation, which is the initial and rate‐determining step during the combustion of SiCl 4 in air.
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