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231224s2017 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.7b00283
|2 doi
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|a pubmed24n0906.xml
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|a DE-627
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|e rakwb
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|a eng
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|a Carrillo, Jan-Michael Y
|e verfasserin
|4 aut
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|a Linking Silica Support Morphology to the Dynamics of Aminopolymers in Composites
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|c 2017
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Completed 12.07.2018
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|a Date Revised 12.07.2018
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a A combined computational and experimental approach is used to elucidate the effect of silica support morphology on polymer dynamics and CO2 adsorption capacities in aminopolymer/silica composites. Simulations are based on coarse-grained molecular dynamics simulations of aminopolymer composites where a branched aminopolymer, representing poly(ethylenimine) (PEI), is impregnated into different silica mesoporous supports. The morphology of the mesoporous supports varies from hexagonally packed cylindrical pores representing SBA-15, double gyroids representing KIT-6 and MCM-48, and cagelike structures representing SBA-16. In parallel, composites of PEI and the silica supports SBA-15, KIT-6, MCM-48, and SBA-16 are synthesized and characterized, including measuring their CO2 uptake. Simulations predict that a 3D pore morphology, such as those of KIT-6, MCM-48, and SBA-16, will have faster segmental mobility and have lower probability of primary amine and surface silanol associations, which should translate to higher CO2 uptake in comparison to a 2D pore morphology such as that of SBA-15. Indeed, it is found that KIT-6 has higher CO2 uptake than SBA-15 at equivalent PEI loading, even though both supports have similar surface area and pore volume. However, this is not the case for the MCM-48 support, which has smaller pores, and SBA-16, whose pore structure rapidly degrades after PEI impregnation
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|a Journal Article
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|a Research Support, U.S. Gov't, Non-P.H.S.
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|a Potter, Matthew E
|e verfasserin
|4 aut
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1 |
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|a Sakwa-Novak, Miles A
|e verfasserin
|4 aut
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| 700 |
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|a Pang, Simon H
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Jones, Christopher W
|e verfasserin
|4 aut
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|a Sumpter, Bobby G
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 33(2017), 22 vom: 06. Juni, Seite 5412-5422
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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| 773 |
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|g volume:33
|g year:2017
|g number:22
|g day:06
|g month:06
|g pages:5412-5422
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|u http://dx.doi.org/10.1021/acs.langmuir.7b00283
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