Sol-gel simulation-I: Scattering response

被引：1

作者：

Campo, F. A. ^{[1
]}

Barbero, E. J. ^{[1
]}

机构：

[1] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 2012年 / 358卷 / 04期

关键词：

Aggregation; Aerogel; Multi scale; Percolation; Fractal; HIERARCHICAL MODEL; RANGE CORRELATIONS; THIN-FILMS; AEROGELS; AGGREGATION; CROSSOVER; GELATION;

D O I：

10.1016/j.jnoncrysol.2011.10.023

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Scattering of sol-gel structures is investigated computationally. Sol-gels are recreated through an aggregation algorithm incorporating Brownian motion and chemical reactions. Using the fractal character of sol-gels, the concept of recursion is introduced as a tool to perform multi scale computation of the response of sol-gels through the different scales from the molecular level to the macro scale. The concept is illustrated with the prediction of scattering intensity. The relationship between scattering intensity and functionality is investigated, noting that the latter is a function of the Brownian motion and chemical reactivity. Computational simulation tools are developed to predict scattering intensity as a function of density and reactivity, the former represented by the number of particles, or clusters, in the simulation box. Then, the results are correlated to an analytical model that reveals the critical wave number, or critical scale, at which percolation occurs. (c) 2011 Elsevier B.V. All rights reserved.

引用

页码：721 / 727

页数：7

共 42 条

[1] Fields of application of aerogels (Review)
Akimov, YK
[J]. INSTRUMENTS AND EXPERIMENTAL TECHNIQUES, 2003, 46 (03) : 287 - 299
[2] Barbero EJ, J NONCRYSTA IN PRESS
[3] HIERARCHICAL MODEL FOR IRREVERSIBLE KINETIC CLUSTER FORMATION
BOTET, R
JULLIEN, R
KOLB, M
[J]. JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1984, 17 (02): : L75 - L79
[4] Brinker C. J., 2013, SOL GEL SCI PHYS CHE, DOI [DOI 10.1016/B978-0-08-057103-4.50001-5, 10.1016/C2009-0-22386-5]
[5] Characterization of monolithic porous carbon prepared from resorcinol/formaldehyde gels with cationic surfactant
Bruno, M. M.
Cotella, N. G.
Miras, M. C.
Koch, T.
Seidler, S.
Barbero, C.
[J]. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2010, 358 (1-3) : 13 - 20
[6] Aggregation model for the gelation of a sol starting from the processing conditions
Campo, F. A.
Murillo, J. S. Rivas
Barbero, E. J.
[J]. JOURNAL OF NON-CRYSTALLINE SOLIDS, 2011, 357 (10) : 2046 - 2053
[7] Modeling the Crossover between Chemically and Diffusion-Controlled Irreversible Aggregation in a Small-Functionality Gel-Forming System
Corezzi, S.
Fioretto, D.
De Michele, C.
Zaccarelli, E.
Sciortino, F.
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (11) : 3769 - 3775
[8] A fluorescent aerogel for capture and identification of interplanetary and interstellar dust
Domínguez, G
Westphal, AJ
Phillips, MLF
Jones, SM
[J]. ASTROPHYSICAL JOURNAL, 2003, 592 (01) : 631 - 635
[9] Emmerling A, 1997, J SOL-GEL SCI TECHN, V8, P781, DOI 10.1007/BF02436938
[10] Feigin L., 1987, STRUCTURE ANAL SMALL, DOI [10.1007/978-1-4757-6624-0, DOI 10.1007/978-1-4757-6624-0]

← 1 2 3 4 5 →