Journal
JOURNAL OF COLLOID AND INTERFACE SCIENCE
Volume 512, Issue -, Pages 64-76Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcis.2017.10.035
Keywords
Silica aerogel; Surfactant; Methyltrimethoxysilane; Molecular dynamics
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Funding
- FEDER funds through the Operational Programme for Competitiveness Factors-COMPETE [PTDC/EQU-EPR/099998/2008]
- National Funds through FCT-Foundation for Science and Technology
- FEDER funds through Operational Programme for Competitiveness Factors - COMPETE
- National Funds through FCT - Foundation for Science and Technology [POCI010145FEDER006910, UID/EQU/00102/2013]
- Fundação para a Ciência e a Tecnologia [PTDC/EQU-EPR/099998/2008] Funding Source: FCT
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Hypothesis: Surfactants interfere with sol-gel particle/pore growth, influencing the structure and properties of silica aerogels. Their ability to induce microscopic changes in the aerogel's structure may be useful to improve/control the thermal insulation performance of aerogels. Experiments: The influence of different types of surfactants (anionic, cationic and non-ionic) on the microstructural arrangement and macroscopic properties of methyltrimethoxysilane (MTMS)-based aerogels was evaluated for the first time, using an experimental and computational comparative approach. Molecular dynamics simulations were performed based on two representative silica molecular structures derived from MTMS, while the experimentally-obtained silica aerogels were characterized in terms of chemical/structural/mechanical/thermal insulation properties. Findings: The use of both hexadecyltrimethylammonium bromide (CTAB) and sodium dodecylsulfate (SDS) led to a decrease in bulk density, thermal conductivity and average pore size of the aerogels, with notorious increase of their flexibility. The observed changes were due to microstructural arrangements, as evidenced by scanning electron microscopy (SEM). However, the non-ionic surfactant, Pluronic F-127, did not have a positive impact on the desired properties. Globally, the simulation results support the experimental findings, suggesting differentiated microstructural changes induced by the use of cationic or anionic surfactants. The addition of CIAB and SDS generally resulted in smaller or larger silica aggregates, respectively. (C) 2017 Elsevier Inc. All rights reserved.
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