Titania formation by TiCl4 gas phase oxidation, surface growth and coagulation

Abstract Titania particle formation by TiCl 4 gas phase oxidation, surface growth and coagulation is investigated by a moving sectional population balance model. The dynamic evolution of the detailed particle size distribution is studied accounting for and neglecting the effect of surface growth. The effects of process temperature, T , and precursor volume fraction, φ , on the average diameter, d p , and geometric standard deviation of the particle size distribution are highlighted. Accounting for surface reaction accelerates particle growth for φ >0.01 and gives a size distribution narrower than the self-preserving one as long as the precursor conversion is less than 99%. At higher conversions, the particle size distribution reaches the self-preserving limit corresponding to aerosols made by coagulation. A monodisperse model represents well aerosol dynamics at high process temperatures. A design diagram summarizing the significance of surface reaction in terms of φ and d p at various process temperatures is presented.

[1]  J. Seinfeld,et al.  Sectional representations for simulating aerosol dynamics , 1980 .

[2]  John H. Seinfeld,et al.  Simulation of multicomponent aerosol dynamics , 1992 .

[3]  C. N. Davies,et al.  The Mechanics of Aerosols , 1964 .

[4]  F. Gelbard Modeling Multicomponent Aerosol Particle Growth By Vapor Condensation , 1990 .

[5]  S. Pratsinis,et al.  Competition between gas phase and surface oxidation of TiCl4 during synthesis of TiO2 particles , 1998 .

[6]  Warren F. Phillips,et al.  Drag on a small sphere moving through a gas , 1975 .

[7]  Sotiris E. Pratsinis,et al.  A discrete-sectional model for particulate production by gas-phase chemical reaction and aerosol coagulation in the free-molecular regime , 1990 .

[8]  S. Pratsinis,et al.  Kinetics of Titanium(IV) Chloride Oxidation , 1990 .

[9]  M. Hounslow,et al.  A discretized population balance for nucleation, growth, and aggregation , 1988 .

[10]  J. Seinfeld Atmospheric Chemistry and Physics of Air Pollution , 1986 .

[11]  D. Ramkrishna,et al.  ON THE SOLUTION OF POPULATION BALANCE EQUATIONS BY DISCRETIZATION--I . A FIXED PIVOT TECHNIQUE , 2003 .

[12]  Role of surface reaction in aerosol synthesis of titanium dioxide , 1997 .

[13]  D. Ollis,et al.  Heterogeneous photoassisted catalysis: Conversions of perchloroethylene, dichloroethane, chloroacetic acids, and chlorobenzenes , 1984 .

[14]  J. Seinfeld,et al.  Prediction of aerosol concentrations resulting from a burst of nucleation , 1985 .

[15]  Sotiris E. Pratsinis,et al.  Simulation of Nanoparticle Production in Premixed Aerosol Flow Reactors by Interfacing Fluid Mechanics and Particle Dynamics , 1999 .

[16]  D. Ramkrishna,et al.  On the solution of population balance equations by discretization - III. Nucleation, growth and aggregation of particles , 1997 .

[17]  Sotiris E. Pratsinis,et al.  Computational fluid-particle dynamics for the flame synthesis of alumina particles , 2000 .

[18]  Sotiris E. Pratsinis,et al.  A Simple Model for the Evolution of the Characteristics of Aggregate Particles Undergoing Coagulation and Sintering , 1993 .

[19]  D. Ramkrishna,et al.  On the solution of population balance equations by discretization—II. A moving pivot technique , 1996 .

[20]  S. Pratsinis,et al.  Gas phase production of particles in reactive turbulent flows , 1991 .

[21]  S. Pratsinis,et al.  Modeling the synthesis of aluminum particles by evaporation-condensation in an aerosol flow reactor , 1995 .

[22]  J. Seinfeld,et al.  Numerical solution of the dynamic equation for particulate systems , 1978 .

[23]  A. Noreika,et al.  Growth Characteristics of Rutile Film by Chemical Vapor Deposition , 1970 .

[24]  R. Ghoshtagore Mechanism of Heterogeneous Deposition of Thin Film Rutile , 1970 .

[25]  John H. Seinfeld,et al.  Simulation of multicomponent aerosol condensation by the moving sectional method , 1990 .

[26]  S. Pratsinis,et al.  Self-preserving size distributions of agglomerates , 1995 .

[27]  R. Turco,et al.  Simulating Condensational Growth, Evaporation, and Coagulation of Aerosols Using a Combined Moving and Stationary Size Grid , 1995 .

[28]  Dong Wu,et al.  Coated silica as support for platinum catalyst: I. Coating of silica with alumina, titania, and lanthana , 1991 .