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Predicting gas selectivity in organic ionic plastic crystals by free energy calculations

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Version 2 2024-06-04, 15:06
Version 1 2021-06-09, 08:10
journal contribution
posted on 2024-06-04, 15:06 authored by VS Kandagal, Jenny PringleJenny Pringle, Maria ForsythMaria Forsyth, Fangfang ChenFangfang Chen
The free energy calculation shows the different free energy changes of the adsorption and absorption of gas molecules into an organic ionic plastic crystal, successfully predicting the gas selectivity of this new type of gas separation material.

History

Journal

RSC advances

Volume

11

Pagination

19623-19629

Location

Cambridge, Eng.

Publisher DOI

Open access

  • Yes

Link to full text

eISSN

2046-2069

Language

eng

Publication classification

C1 Refereed article in a scholarly journal

Issue

32

Publisher

Royal Society of Chemistry

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    Research Publications

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    Keywords

    030602 Chemical Thermodynamics and Energetics030607 Transport Properties and Non-equilibrium Processes030799 Theoretical and Computational Chemistry not elsewhere classifiedInstitute for Frontier MaterialsCE1401000123406 Physical chemistry3403 Macromolecular and materials chemistry3405 Organic chemistry

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    All Rights Reserved

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