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

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journal contribution
posted on 2021-01-01, 00:00 authored by V S 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

Issue

32

Pagination

19623 - 19629

Publisher

Royal Society of Chemistry

Location

Cambridge, Eng.

Publisher DOI

Link to full text

eISSN

2046-2069

Language

eng

Publication classification

C1 Refereed article in a scholarly journal

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    Research Publications

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    Keywords

    Science & TechnologyPhysical SciencesChemistry, MultidisciplinaryChemistryMOLECULAR-DYNAMICSCO2 SELECTIVITYLIQUIDSSOLVATIONINTERFACEADSORPTIONSIMULATIONTRANSPORTMEMBRANESO-2

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    All Rights Reserved

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