Effects of flame temperature and SiCl4 concentration on particle characteristics for synthetic silica glass

Wang, Lei; Rao, Congjun; Gu, Zhonghua

doi:10.1007/s11595-010-0015-1

Cited by 10 publications

(7 citation statements)

References 13 publications

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“…TCS is the main chemical feedstock to produce high-purity crystalline Si for solar cells , and is also widely used in manufacturing silane, , silane coupling agents, polymers, phenyltrichlorosilane, Si nanowires, and Schottky diodes, as well as in the reduction of imines , and ketones . STC has been widely used to produce silica nanoparticles, silica aerogels, Si compounds, Si nanoparticles, − thin-film Si, , polysilicon semiconductors, , optical fiber inner core material, high-purity quartz glass, , and inorganic silicides …”

Section: Introductionmentioning

confidence: 99%

Ni-Ni₃P/SiO₂ Catalyst for Highly Selective Production of Silicon Tetrachloride via Silicon Hydrochlorination

Luo

Song

et al. 2022

Ind. Eng. Chem. Res.

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SiHCl3 (TCS) and SiCl4 (STC), important chlorosilanes in the silicon industry, are currently produced by noncatalytic silicon hydrochlorination with a selectivity of 85% for TCS and 15% for STC approximately. It is a significant challenge to selectively produce TCS and STC with the desired ratio in one reactor to realize flexible manufacturing that meets the periodic market demands. In the present work, we develop a novel Ni-Ni3P/SiO2 catalyst using a simple reduction synthesis method to produce STC selectively in Si hydrochlorination. The catalyst performance is evaluated under different industrial operating conditions. It shows that the Ni-Ni3P/SiO2 catalyst exhibits a selectivity higher than 90% for STC and a selectivity of <10% for TCS under the optimal conditions. The calculations based on the density functional theory show that P-modified Ni-based catalysts promote the breakage of HCl bonds and make the product favor STC instead of TCS. Therefore, it is possible to realize flexible manufacture of TCS and STC in one reactor by combining the CuO-based catalysts reported in our previous work to enhance TCS production and the Ni-Ni3P/SiO2 catalyst developed in this work to promote STC production.

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Section: Introductionmentioning

confidence: 99%

Ni-Ni₃P/SiO₂ Catalyst for Highly Selective Production of Silicon Tetrachloride via Silicon Hydrochlorination

Luo

Song

et al. 2022

Ind. Eng. Chem. Res.

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“…Fumed silica is a highly dispersed synthetic silicon dioxide product, which is produced by burning volatile chlorosilanes, mainly silicon tetrachloride (SiCl 4 ), in an H 2 /O 2 flame. , The particle size and dispersion uniformity are the key factors affecting the quality of fumed silica. To date, a considerable amount of important research has been carried out to improve the performance of fumed silica. ,− It was found that the concentration and type of the precursor, the temperature field of the reaction, − and the residence time of the particles , in the flame zone are the main factors influencing the size and morphology of the particles. Improper airflow velocity and flame configuration also lead to significant material backmixing (the particles return from the low-temperature zone to the high-temperature zone), which produces chlorine byproducts, extends the residence time of the particles in the flame, and further increases the particle size.…”

Section: Introductionmentioning

confidence: 99%

Controlling of Fumed Silica Particle Size Uniform Production Process Based on Burner Fluid Dynamic Simulation

Chen

Huang

Hao

et al. 2022

Ind. Eng. Chem. Res.

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As one of the most important high-tech nanomaterials, fumed silica has been widely used in many industrial fields due to its unique properties. However, particle size uniformity is still the technical barrier in this industry after years of development. Therefore, numerical simulations are employed to optimize the process parameters of a premixed multiring high-speed jet oxyhydrogen combustion reactor, and the result is applied to actual process units used in fumed silica production. By maintaining temperature consistency between inlet 2 and inlet 1 and increasing the gas flow rates of inlet 3 and inlet 4, the HCl flow and temperature field distribution in the reactor are improved significantly. The back mixing of HCl and the blocking of particles to the combustion reactor are suppressed. Compared to the original process, the median diameter (D50) of agglomerates particles and the 45 μm sieve residue content are decreased by 6.4 μm and 19.0 mg g–1, respectively. In addition, the tensile strength of high-temperature vulcanized rubber is increased by 1–1.5 MPa. The presented simulations provide technical support for quality improvements of fumed silica and a theoretical basis for the rational design of industrial combustion reactors.

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“…57 Some more recent studies employed xc potentials within the Generalized Gradient Approximation (GGA); Vin ˜es et al used the Perdew-Wang (PW91) functional 58 in their study of various TMCs, d-MoC among them, 59 and Wang et al used the Perdew-Burke-Ernzerhof (PBE) form 60 of the GGA approximation to study a-Mo 2 C and b-Mo 2 C phases. 61 As long as surfaces are concerned, the number of systematic studies is scarce, although it is worth highlighting the quite complete studies of Shi et al 62 and Han et al 63 on the stability of different surfaces of a-Mo 2 C, although both pieces of work employed the revised version of PBE functional (RPBE), 64 which has been recently shown to severely underestimate the cohesive energy of bulk of transition metals. 57 For a proper comparison of different phases both bulk and surface properties should be estimated using the same level of theory which, in addition, should also accurately describe the main features of these carbides.…”

Section: Introductionmentioning

confidence: 99%

Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces

Politi

Viñes

Rodríguez

2013

Phys. Chem. Chem. Phys.

196

176

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The geometric and electronic structure of catalytically relevant molybdenum carbide phases (cubic δ-MoC, hexagonal α-MoC, and orthorhombic β-Mo2C) and their low Miller-index surfaces have been investigated by means of periodic density functional theory (DFT) based calculations with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. Comparison to available experimental data indicates that this functional is particularly well suited to study these materials. The calculations reveal that β-Mo2C has a stronger metallic character than the other two polymorphs, both β-Mo2C and δ-MoC have a large ionic contribution, and δ- and α-MoC exhibit the strongest covalent character. Among the various surfaces explored, the calculations reveal the high stability of the δ-MoC(001) nonpolar surface, Mo- and C-terminated (001) polar surfaces of α-MoC, and the nonpolar (011) surface of β-Mo2C. A substantially low work function of only 3.4 eV is predicted for β-Mo2C(011), suggesting that this system is particularly well suited for (electro)catalytic processes where surface → adsorbate electron transfer is essential. The overall implications for heterogeneously catalysed reactions by these molybdenum carbide nanoparticles are also discussed.

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Effects of flame temperature and SiCl4 concentration on particle characteristics for synthetic silica glass

Cited by 10 publications

References 13 publications

Ni-Ni₃P/SiO₂ Catalyst for Highly Selective Production of Silicon Tetrachloride via Silicon Hydrochlorination

Ni-Ni₃P/SiO₂ Catalyst for Highly Selective Production of Silicon Tetrachloride via Silicon Hydrochlorination

Controlling of Fumed Silica Particle Size Uniform Production Process Based on Burner Fluid Dynamic Simulation

Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces

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Effects of flame temperature and SiCl4 concentration on particle characteristics for synthetic silica glass

Cited by 10 publications

References 13 publications

Ni-Ni3P/SiO2 Catalyst for Highly Selective Production of Silicon Tetrachloride via Silicon Hydrochlorination

Ni-Ni3P/SiO2 Catalyst for Highly Selective Production of Silicon Tetrachloride via Silicon Hydrochlorination

Controlling of Fumed Silica Particle Size Uniform Production Process Based on Burner Fluid Dynamic Simulation

Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces

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Product

Resources

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Ni-Ni₃P/SiO₂ Catalyst for Highly Selective Production of Silicon Tetrachloride via Silicon Hydrochlorination

Ni-Ni₃P/SiO₂ Catalyst for Highly Selective Production of Silicon Tetrachloride via Silicon Hydrochlorination