Detailed model of the aggregation event between two fractal clusters

M Lattuada, H Wu, J Sefcik, M Morbidelli

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

A model has been developed for describing the aggregation process of two fractal clusters under quiescent conditions. The model uses the approach originally proposed by Smoluchowski for the diffusion-limited aggregation of two spherical particles but accounts for the possibility of interpenetration between the fractal clusters. It is assumed that when a cluster diffuses toward a reference cluster their center-to-center distance can be smaller than the sum of their radii, and their aggregation process is modeled using a diffusion-reaction equation. The reactivity of the clusters is assumed to depend on the reactivity and number of their particles involved in the aggregation event. The model can be applied to evaluate the aggregation rate constant as a function of the prevailing operating conditions by simply changing the value of the particle stability ratio, without any a priori specification of a diffusion-limited cluster aggregation, reaction-limited cluster aggregation, or transition regime. Furthermore, the model allows one to estimate the structure properties of the formed cluster after the aggregation, based on the computed distance between the aggregating clusters in the final cluster.

LanguageEnglish
Pages6574-6586
Number of pages13
JournalJournal of Physical Chemistry B
Volume110
Issue number13
Early online date16 Mar 2006
DOIs
Publication statusPublished - 6 Apr 2006

Fingerprint

Fractals
fractals
Agglomeration
reactivity
reaction-diffusion equations
Rate constants
specifications
Specifications
radii
estimates

Keywords

  • aggregation
  • fractal cluster
  • spherical particles

Cite this

Lattuada, M ; Wu, H ; Sefcik, J ; Morbidelli, M . / Detailed model of the aggregation event between two fractal clusters. In: Journal of Physical Chemistry B. 2006 ; Vol. 110, No. 13. pp. 6574-6586.
@article{f01e580ef5974a0ebb2083b90374b7b8,
title = "Detailed model of the aggregation event between two fractal clusters",
abstract = "A model has been developed for describing the aggregation process of two fractal clusters under quiescent conditions. The model uses the approach originally proposed by Smoluchowski for the diffusion-limited aggregation of two spherical particles but accounts for the possibility of interpenetration between the fractal clusters. It is assumed that when a cluster diffuses toward a reference cluster their center-to-center distance can be smaller than the sum of their radii, and their aggregation process is modeled using a diffusion-reaction equation. The reactivity of the clusters is assumed to depend on the reactivity and number of their particles involved in the aggregation event. The model can be applied to evaluate the aggregation rate constant as a function of the prevailing operating conditions by simply changing the value of the particle stability ratio, without any a priori specification of a diffusion-limited cluster aggregation, reaction-limited cluster aggregation, or transition regime. Furthermore, the model allows one to estimate the structure properties of the formed cluster after the aggregation, based on the computed distance between the aggregating clusters in the final cluster.",
keywords = "aggregation, fractal cluster, spherical particles",
author = "M Lattuada and H Wu and J Sefcik and M Morbidelli",
year = "2006",
month = "4",
day = "6",
doi = "10.1021/jp056538e",
language = "English",
volume = "110",
pages = "6574--6586",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "13",

}

Detailed model of the aggregation event between two fractal clusters. / Lattuada, M ; Wu, H ; Sefcik, J ; Morbidelli, M .

In: Journal of Physical Chemistry B, Vol. 110, No. 13, 06.04.2006, p. 6574-6586.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Detailed model of the aggregation event between two fractal clusters

AU - Lattuada, M

AU - Wu, H

AU - Sefcik, J

AU - Morbidelli, M

PY - 2006/4/6

Y1 - 2006/4/6

N2 - A model has been developed for describing the aggregation process of two fractal clusters under quiescent conditions. The model uses the approach originally proposed by Smoluchowski for the diffusion-limited aggregation of two spherical particles but accounts for the possibility of interpenetration between the fractal clusters. It is assumed that when a cluster diffuses toward a reference cluster their center-to-center distance can be smaller than the sum of their radii, and their aggregation process is modeled using a diffusion-reaction equation. The reactivity of the clusters is assumed to depend on the reactivity and number of their particles involved in the aggregation event. The model can be applied to evaluate the aggregation rate constant as a function of the prevailing operating conditions by simply changing the value of the particle stability ratio, without any a priori specification of a diffusion-limited cluster aggregation, reaction-limited cluster aggregation, or transition regime. Furthermore, the model allows one to estimate the structure properties of the formed cluster after the aggregation, based on the computed distance between the aggregating clusters in the final cluster.

AB - A model has been developed for describing the aggregation process of two fractal clusters under quiescent conditions. The model uses the approach originally proposed by Smoluchowski for the diffusion-limited aggregation of two spherical particles but accounts for the possibility of interpenetration between the fractal clusters. It is assumed that when a cluster diffuses toward a reference cluster their center-to-center distance can be smaller than the sum of their radii, and their aggregation process is modeled using a diffusion-reaction equation. The reactivity of the clusters is assumed to depend on the reactivity and number of their particles involved in the aggregation event. The model can be applied to evaluate the aggregation rate constant as a function of the prevailing operating conditions by simply changing the value of the particle stability ratio, without any a priori specification of a diffusion-limited cluster aggregation, reaction-limited cluster aggregation, or transition regime. Furthermore, the model allows one to estimate the structure properties of the formed cluster after the aggregation, based on the computed distance between the aggregating clusters in the final cluster.

KW - aggregation

KW - fractal cluster

KW - spherical particles

U2 - 10.1021/jp056538e

DO - 10.1021/jp056538e

M3 - Article

VL - 110

SP - 6574

EP - 6586

JO - Journal of Physical Chemistry B

T2 - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 13

ER -