Designing and understanding permanent microporosity in liquids

Gavin Melaugh, Nicola Giri, Christine Davidson, Stuart James, Mario Del Popolo

Research output: Contribution to journalArticle

24 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)9422-9431
Number of pages10
JournalPhysical Chemistry Chemical Physics (PCCP)
Volume16
DOIs
Publication statusPublished - 2014

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microporosity
Microporosity
Liquids
liquids
cavities
Molecules
interstitials
Microporous materials
porosity
molecules
Methane
Hydrocarbons
Chain length
sorption
Sorption
margins
hollow
methane
simulation
hydrocarbons

Cite this

Melaugh, Gavin ; Giri, Nicola ; Davidson, Christine ; James, Stuart ; Del Popolo, Mario. / Designing and understanding permanent microporosity in liquids. In: Physical Chemistry Chemical Physics (PCCP). 2014 ; Vol. 16. pp. 9422-9431.
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Designing and understanding permanent microporosity in liquids. / Melaugh, Gavin; Giri, Nicola; Davidson, Christine; James, Stuart; Del Popolo, Mario.

In: Physical Chemistry Chemical Physics (PCCP), Vol. 16, 2014, p. 9422-9431.

Research output: Contribution to journalArticle

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