Detailed kinetic analysis of the effect of benzene–acetylene composition on the configuration of carbon nanoparticles

Ono, Kazuyoshi; Watanabe, Akiteru; Dewa, Kazuki; Matsukawa, Yoshiya; Saito, Yasuhiro; Matsushita, Yohsuke; Aoki, Hideyuki; Fukuda, Okiteru; Aoki, Takayuki; Yamaguchi, Togo

doi:10.1016/j.cej.2014.03.091

Cited by 21 publications

(6 citation statements)

References 46 publications

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“…Figure 13 shows that adding acetylene to a benzene feed increases the nucleation rate, i.e., nuclei form earlier and faster in the process, exactly when a drop of acetylene concentration is also observed. Phenanthrene and pyrene (3-and 4-membered aromatics, respectively) form in parallel to increase nucleation, supporting that the acetylene-induced hydrogen-abstraction/carbon-addition (HACA) mechanism, responsible for the formation of PAH, is also linked to the increased branching of the aggregates [68]. This example shows how CB particle growth and aggregation are intimately related, although such evidence has been obtained under simplified process conditions different from those of the more complex industrial production processes.…”

Section: Formation Of Particles and Aggregatesmentioning

confidence: 96%

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Carbon black reborn: Structure and chemistry for renewable energy harnessing

Khodabakhshi

Fulvio

Andreoli

2020

Carbon

223

104

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Carbon Black (CB) is one of the most abundantly produced carbon nanostructured materials, and approximately 70% of it is used as pigment and as reinforcing phase in rubber and plastics. Recent scientific findings report on other uses of CB that are of current interest, such as renewable energy harvesting and carbon capture. The present review focuses on the use and role of CB in renewable and environmental applications relevant to contemporary global challenges focusing specifically on clean energy. Key and recent research on the structure and chemistry of CB, including its uses as precursors to graphene quantum dots and hollow carbon spheres, is discussed in relation to renewable energy devices, electrochemical energy storage and environmental remediation. The surface chemistry of CB is closely related to that of graphitic and of turbostratic carbons through the predominant hexagonal carbon lattice from graphene fragments forming its basic structural units. Consequently, modern methods for grafting polymers and functional groups are easily translated to this abundant nanostructured material. Moreover, recent advances in electron microscopy that probe the structure of CB, and its electronic and physicochemical properties in nanocomposites revived the attention of what is wrongfully considered as a scientifically uninspiring material with limited potential for future technology breakthrough. CB has the potential to surge as a key player in renewable energy and environmental applications, meaning "When Black Turns Green".

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Section: Formation Of Particles and Aggregatesmentioning

confidence: 96%

“…Benzene, acetylene, hydrogen, phenanthrene, pyrene, and nuclei mole fractions change during pyrolysis of 1% benzene in nitrogen (a), and the same with the addition of 0.5% acetylene (b). Reproduced and adapted from reference[68].…”

mentioning

confidence: 99%

Carbon black reborn: Structure and chemistry for renewable energy harnessing

Khodabakhshi

Fulvio

Andreoli

2020

Carbon

223

104

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“…Many experiments performed in tubular reactors using lower acetylene conversion showed good agreement between experimental and modeled data, and the same evolution when conversion increased [38]. as soot, which is not considered in the model [42,43]. Therefore the order of magnitude of the PAHs calculated by the kinetic model might be overestimated.…”

Section: Experimental Results and Kinetic Modelmentioning

confidence: 95%

Study of Polycyclic Aromatic Hydrocarbon formation during acetylene pyrolysis in a jet-stirred-reactor and numerical investigations of residence time distribution using CFD simulations

Bensabath

Monnier

Bardin‐Monnier

et al. 2019

Chemical Engineering Journal

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The aim of this study was to understand the formation of PAHs (Polycyclic Aromatic Hydrocarbons) during acetylene pyrolysis. Experiments were carried out with a jet-stirred-reactor in laboratory conditions similar to those used in industrial low-pressure gas carburizing processes (1173 K and 8 kPa). The influence of residence time was studied. At the outlet from the reaction zone, products of pyrolysis were analyzed by gas chromatography (mass detector). A detailed kinetic model was used to describe PAH formation and to validate experimental findings. Differences were found between the experiments and the kinetic model. Several explanations are presented such as a lack of mixing within the reactor. To explain why the reactor's hydrodynamic characteristics deviate from the perfectly stirred assumption under several operating conditions, such as low-pressure and high temperature, CFD calculations were performed to determine the Residence Time Distribution (RTD) of the gas phase. This deviation is particularly linked to the pressure in the chamber which was not taken into account when constructing the jet-stirred-reactor over the last fifty years.

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“…The calculated aggregates were similar in shape to those of carbon black obtained by benzene pyrolysis, and the calculated results of the fractal dimension were in good agreement with experimental results (Hayashi et al 1999). The AMP model can follow the particle trajectories of individual particles and clusters because Brownian motion is not modeled using a stochastic model such as a sectional method (Bhatt and Lindstedt 2009;Blacha et al 2012;D'Anna and Kent 2008;Dworkin et al 2011;Iyer et al 2007;Lindstedt and Waldheim 2013;Ono et al 2014a;Park and Rogak 2004;Zhang et al 2009a, b) or the PAH-PP model (Celnik et al 2008(Celnik et al , 2009Chen et al 2013;Sander et al 2011), but modeled using an aggregate mean free path. In stochastic models, the collision diameter of a particle and an aggregate is calculated using a constant fractal dimension, for which the realistic aggregate morphology is considered (Sander et al 2011).…”

Section: Introductionmentioning

confidence: 99%

“…The sectional approach (Bhatt and Lindstedt 2009;Blacha et al 2012;D'Anna and Kent 2008;Dworkin et al 2011;Iyer et al 2007;Lindstedt and Waldheim 2013;Ono et al 2014a;Park and Rogak 2004;Zhang et al 2009a, b) is a powerful tool and widely used to calculate particle size distributions (PSDs) of soot. The great advantage of this technique is that any kind of size distribution can be captured and that different sized particles may have different properties (Blacha et al 2012).…”

Section: Introductionmentioning

confidence: 99%

Monte Carlo simulation for morphology of nanoparticles and particle size distributions: comparison of the cluster–cluster aggregation model with the sectional method

et al. 2015

Self Cite

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This study presents the validity and ability of an aggregate mean free path cluster-cluster aggregation (AMP-CCA) model, which is a direct Monte Carlo simulation, to predict the aggregate morphology with diameters form about 15-200 nm by comparing the particle size distributions (PSDs) with the results of the previous stochastic approach. The PSDs calculated by the AMP-CCA model with the calculated aggregate as a coalesced spherical particle are in reasonable agreement with the results of the previous stochastic model regardless of the initial number concentration of particles. The shape analysis using two methods, perimeter fractal dimension and the shape categories, has demonstrated that the aggregate structures become complex with increasing the initial number concentration of particles. The AMP-CCA model provides a useful tool to calculate the aggregate morphology and PSD with reasonable accuracy.

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Detailed kinetic analysis of the effect of benzene–acetylene composition on the configuration of carbon nanoparticles

Cited by 21 publications

References 46 publications

Carbon black reborn: Structure and chemistry for renewable energy harnessing

Carbon black reborn: Structure and chemistry for renewable energy harnessing

Study of Polycyclic Aromatic Hydrocarbon formation during acetylene pyrolysis in a jet-stirred-reactor and numerical investigations of residence time distribution using CFD simulations

Monte Carlo simulation for morphology of nanoparticles and particle size distributions: comparison of the cluster–cluster aggregation model with the sectional method

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