Kinetics of Titanium(IV) Chloride Oxidation

Pratsinis, Sotiris E.; Bai, Hebi; Biswas, Pratim; Frenklach, Michael; Mastrangelo, S. V. R.

doi:10.1111/j.1151-2916.1990.tb05295.x

Cited by 128 publications

(89 citation statements)

References 9 publications

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“…At lower concentrations, the PSDs remain the same irrespective of surface growth. The figures support the conclusion reached in [8] that surface oxidation is more relevant at high concentrations of TiCl 4 .…”

Section: Titania Reaction Simulationsupporting

confidence: 88%

Modelling nanoparticle dynamics: coagulation, sintering, particle inception and surface growth

Morgan

Wells

Kraft

et al. 2005

Combustion Theory and Modelling

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In this paper we investigate a new stochastic particle method (SPM) for solving an extension to the sintering-coagulation equation and model two particle systems: the production of SiO 2 and TiO 2 . A model which includes both a particle source and an area dependent surface growth term as well as coagulation and sintering is presented. A new mass-flow stochastic algorithm to solve the model is stated. The stochastic method is able to recover fully the evolution the bivariate particle size distribution function (PSDF) and is computationally very efficient when compared to traditional finite element methods. The SPM is compared to a bivariate sectional method for a system with coagulation and sintering as the only mechanisms. Despite using a different form of coagulation kernel to the sectional investigation, the results obtained agree closely to those in the literature and were obtained in a small fraction of the time. The full model with particle inception and surface growth was then used to model the TiCl 4 → TiO 2 system under various conditions. At low precursor concentration we investigate the effect of changing temperature, whilst at high precursor concentration we investigate the effect of surface growth on the system. The results agree with many of the conclusions reached in the literature.

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Section: Titania Reaction Simulationsupporting

confidence: 88%

Modelling nanoparticle dynamics: coagulation, sintering, particle inception and surface growth

Morgan

Wells

Kraft

et al. 2005

Combustion Theory and Modelling

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show abstract

“…The same sintering equation, precursor chemistry, and fractal model were used for the 2-D models and the present model. The monomer generation rate by oxidation of TiCl 4 is expressed by the following equation (Pratsinis et al 1990):…”

Section: Resultsmentioning

confidence: 99%

“…Many researchers have investigated methods of controlling the properties of powder particles produced in aerosol reactors (Okuyama et al 1986;Pratsinis et al 1990;Wu et al 1993). Modeling these reactors is important if experimental results are to be scaled up or generalized.…”

Section: Introductionmentioning

confidence: 99%

A One-Dimensional Model for Coagulation, Sintering, and Surface Growth of Aerosol Agglomerates

Park

Rogak

2003

Aerosol Science and Technology

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The size of the primary particles in aerosol agglomerates is determined in part by the interplay of surface growth, coagulation, and sintering. These processes are modelled by a one-dimensional (1-D) discrete-sectional model, DISGLOM2, which predicts the evolution of agglomerate and primary particle size distributions. DISGLOM2 is an extended version of DISGLOM (Rogak 1997), in which particles smaller than the "melting diameter" were assumed to sinter instantly while bigger particles did not sinter at all. Gradual sintering, "condensational obliteration" (whereby primary particles are lost during heavy surface growth), and diffusional wall deposition have been incorporated into DISGLOM2. Results from DISGLOM2 were comparable with those from 2-D sectional models, but DISGLOM2 was much faster. In addition, DISGLOM2 includes the effects of "condensation" of small spherical particles on large agglomerates, which were not modelled previously. The effect of condensation was shown to be significant at low temperature. DISGLOM2 was used to predict the primary particle diameter of titania particles generated by precursor reaction. By adding gradual sintering, the growth rate of agglomerate particles by coagulation was slightly decreased and the primary particle size considerably increased compared with the results given by DISGLOM. Although DISGLOM2 is an efficient model of the relevant physical processes, the predictions are sensitive to the kinetics of precursor reactions and particle sintering, which can be difficult to characterize in real experimental systems.

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“…As a result, special milling (grinding) is used to break up the soft agglomerates before feeding them to the finishing plant where their surfaces are coated and conditioned for suspension in paints or compounding in polymer or paper matrixes. Aggregate formation can be controlled by adding alkali metal halides (e.g., potassium chloride [KCl] as in soot formation) in the presence of AlCl 3 or SiCl 4 (Xiong et al, 1992a;Akhtar et al, 1994 In contrast with the carbon black process, the ensuing global (Pratsinis et al, 1990) and detailed (West et al, 2009) kinetics of TiCl 4 oxidation in the gas phase and on the surface of freshly formed TiO 2 particles (Ghoshtagore, 1970) are known. Today, the role of process parameters on TiO 2 size, morphology, and crystallinity is well understood.…”

Section: Titania Tiomentioning

confidence: 99%

Aerosol Science and Technology: History and Reviews

Ensor¹

2011

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Aerosol Science and Technology: History and Reviews captures an exciting slice of history in the evolution of aerosol science. It presents in-depth biographies of four leading international aerosol researchers and highlights pivotal research institutions in New York, Minnesota, and Austria. One collection of chapters reflects on the legacy of the Pasadena smog experiment, while another presents a fascinating overview of military applications and nuclear aerosols. Finally, prominent researchers offer detailed reviews of aerosol measurement, processes, experiments, and technology that changed the face of aerosol science. This volume is the third in a series and is supported by the American Association for Aerosol Research (AAAR) History Working Group, whose goal is to produce archival books from its symposiums on the history of aerosol science to ensure a lasting record. It is based on papers presented at the Third Aerosol History Symposium on September 8 and 9, 2006, in St. Paul, Minnesota, USA.

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Kinetics of Titanium(IV) Chloride Oxidation

Cited by 128 publications

References 9 publications

Modelling nanoparticle dynamics: coagulation, sintering, particle inception and surface growth

Modelling nanoparticle dynamics: coagulation, sintering, particle inception and surface growth

A One-Dimensional Model for Coagulation, Sintering, and Surface Growth of Aerosol Agglomerates

Aerosol Science and Technology: History and Reviews

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