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

Technical Report ·
DOI:https://doi.org/10.2172/10172303· OSTI ID:10172303
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.
Research Organization:
Lawrence Livermore National Lab., CA (United States)
Sponsoring Organization:
USDOE, Washington, DC (United States)
DOE Contract Number:
W-7405-ENG-48
OSTI ID:
10172303
Report Number(s):
UCRL-ID--117435; ON: DE94016485
Country of Publication:
United States
Language:
English