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dc.contributor.author
Melaugh, Gavin
dc.contributor.author
Giri, Nicola
dc.contributor.author
Davidson, Christine E.
dc.contributor.author
James, Stuart L.
dc.contributor.author
del Popolo, Mario Gabriel
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dc.date.available
2017-11-08T17:04:47Z
dc.date.issued
2014-03
dc.identifier.citation
Melaugh, Gavin; Giri, Nicola; Davidson, Christine E.; James, Stuart L.; del Popolo, Mario Gabriel; Designing and understanding permanent microporosity in liquids; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 16; 20; 3-2014; 9422-9431
dc.identifier.issn
1463-9076
dc.identifier.uri
http://hdl.handle.net/11336/27848
dc.description.abstract
Standard microporous materials are typically crystalline solids that exhibit a regular array of cavities of uniform size and shape. Packing and directional bonding between molecular building blocks give rise to interstitial pores that confer size and shape-specific sorption properties to the material. In the liquid state interstitial cavities are transient. However, permanent and intrinsic "pores" can potentially be built into the structure of the molecules that constitute the liquid. With the aid of computer simulations we have designed, synthesised and characterised a series of liquids composed of hollow cage-like molecules, which are functionalised with hydrocarbon chains to make them liquid at accessible temperatures. Experiments and simulations demonstrate that chain length and size of terminal chain substituents can be used to tune, within certain margins, the permanence of intramolecular cavities in such neat liquids. Simulations identify a candidate "porous liquid" in which 30% of the cages remain empty in the liquid state. Absorbed methane molecules selectively occupy these empty cavities.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Computer Simulations
dc.subject
Porous Liquids
dc.subject.classification
Otras Ciencias Químicas
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Designing and understanding permanent microporosity in liquids
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2017-09-26T18:58:36Z
dc.journal.volume
16
dc.journal.number
20
dc.journal.pagination
9422-9431
dc.journal.pais
Reino Unido
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dc.journal.ciudad
Cambridge
dc.description.fil
Fil: Melaugh, Gavin. The Queens University Of Belfast; Irlanda
dc.description.fil
Fil: Giri, Nicola. The Queens University Of Belfast; Irlanda
dc.description.fil
Fil: Davidson, Christine E.. The Queens University Of Belfast; Irlanda
dc.description.fil
Fil: James, Stuart L.. The Queens University Of Belfast; Irlanda
dc.description.fil
Fil: del Popolo, Mario Gabriel. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
dc.journal.title
Physical Chemistry Chemical Physics
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/C4CP00582A
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2014/CP/C4CP00582A#!divAbstract
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