Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption

Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption

The presented work shows that a qualitative assessment of the trends in surface area in a given microporous polymer family can be obtained by analyzing the properties of a single polymer chain. We analyzed the properties of polymers of intrinsic microporosity (PIMs) that contain imide groups (known...

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Main Authors: Laura Leay, Flor R. Siperstein
Format: Article
Language:English
Published: Hindawi - SAGE Publishing 2013-02-01
Series:Adsorption Science & Technology
Online Access:https://doi.org/10.1260/0263-6174.31.1.99
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spelling doaj-919e402e1c684879b464538d6f22fcb02021-04-02T12:34:51ZengHindawi - SAGE PublishingAdsorption Science & Technology0263-61742048-40382013-02-013110.1260/0263-6174.31.1.99Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas AdsorptionLaura LeayFlor R. SipersteinThe presented work shows that a qualitative assessment of the trends in surface area in a given microporous polymer family can be obtained by analyzing the properties of a single polymer chain. We analyzed the properties of polymers of intrinsic microporosity (PIMs) that contain imide groups (known as PIM-PIs) and obtained the surface area of available PIM-PIs and proposed some hypothetical structures that can result in higher surface areas and potentially more favourable properties for adsorption. The advantage of the proposed method is that it allows for a rapid screening of potential monomers avoiding the need to perform computationally expensive calculations.https://doi.org/10.1260/0263-6174.31.1.99
collection DOAJ
language English
format Article
sources DOAJ
author Laura Leay
Flor R. Siperstein
spellingShingle Laura Leay
Flor R. Siperstein
Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption
Adsorption Science & Technology
author_facet Laura Leay
Flor R. Siperstein
author_sort Laura Leay
title Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption
title_short Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption
title_full Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption
title_fullStr Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption
title_full_unstemmed Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption
title_sort single polymer chain surface area as a descriptor for rapid screening of microporous polymers for gas adsorption
publisher Hindawi - SAGE Publishing
series Adsorption Science & Technology
issn 0263-6174
2048-4038
publishDate 2013-02-01
description The presented work shows that a qualitative assessment of the trends in surface area in a given microporous polymer family can be obtained by analyzing the properties of a single polymer chain. We analyzed the properties of polymers of intrinsic microporosity (PIMs) that contain imide groups (known as PIM-PIs) and obtained the surface area of available PIM-PIs and proposed some hypothetical structures that can result in higher surface areas and potentially more favourable properties for adsorption. The advantage of the proposed method is that it allows for a rapid screening of potential monomers avoiding the need to perform computationally expensive calculations.
url https://doi.org/10.1260/0263-6174.31.1.99
work_keys_str_mv AT lauraleay singlepolymerchainsurfaceareaasadescriptorforrapidscreeningofmicroporouspolymersforgasadsorption
AT florrsiperstein singlepolymerchainsurfaceareaasadescriptorforrapidscreeningofmicroporouspolymersforgasadsorption
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