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Title: Computer modeling of organic aerogels: Final report of 93-SR-062

Abstract

Goal of the work was to develop computer models of organic aerogel structures, and to study transport process within these materials. During the course of the research understanding of the structure of all aerogels including acid and neutral-catalyzed silica aerogel was developed. The modeling of transport focused on fluid flow in aerogels. We successfully modified a novel state-of-the-art lattice Boltzmann code to simulate flow at low Knudsen number, and developed a simple molecular dynamics code for gas flow at extremely high Knudsen number (low density). These flow-modeling techniques can be used to study aerogel applications for technology transfer; in addition, these techniques can be used to study flow through other porous materials.

Authors:
; ;
Publication Date:
Research Org.:
Lawrence Livermore National Lab., CA (United States)
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
10172303
Report Number(s):
UCRL-ID-117435
ON: DE94016485
DOE Contract Number:  
W-7405-ENG-48
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: 10 Jun 1994
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; FOAMS; COMPUTERIZED SIMULATION; PROGRESS REPORT; PERMEABILITY; FLUID FLOW; GELS; FRACTALS; 360606; 990200; PHYSICAL PROPERTIES; MATHEMATICS AND COMPUTERS

Citation Formats

Chandler, E.A., Calef, D., and Ladd, A.J.C. Computer modeling of organic aerogels: Final report of 93-SR-062. United States: N. p., 1994. Web. doi:10.2172/10172303.
Chandler, E.A., Calef, D., & Ladd, A.J.C. Computer modeling of organic aerogels: Final report of 93-SR-062. United States. doi:10.2172/10172303.
Chandler, E.A., Calef, D., and Ladd, A.J.C. Fri . "Computer modeling of organic aerogels: Final report of 93-SR-062". United States. doi:10.2172/10172303. https://www.osti.gov/servlets/purl/10172303.
@article{osti_10172303,
title = {Computer modeling of organic aerogels: Final report of 93-SR-062},
author = {Chandler, E.A. and Calef, D. and Ladd, A.J.C.},
abstractNote = {Goal of the work was to develop computer models of organic aerogel structures, and to study transport process within these materials. During the course of the research understanding of the structure of all aerogels including acid and neutral-catalyzed silica aerogel was developed. The modeling of transport focused on fluid flow in aerogels. We successfully modified a novel state-of-the-art lattice Boltzmann code to simulate flow at low Knudsen number, and developed a simple molecular dynamics code for gas flow at extremely high Knudsen number (low density). These flow-modeling techniques can be used to study aerogel applications for technology transfer; in addition, these techniques can be used to study flow through other porous materials.},
doi = {10.2172/10172303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 10 00:00:00 EDT 1994},
month = {Fri Jun 10 00:00:00 EDT 1994}
}

Technical Report:

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