Simple and complex sorption−solution isotherms for membrane polymers: a statistical thermodynamic fluctuation theory
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F24%3A43928822" target="_blank" >RIV/60461373:22340/24:43928822 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.physa.2024.129753" target="_blank" >https://doi.org/10.1016/j.physa.2024.129753</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.physa.2024.129753" target="_blank" >10.1016/j.physa.2024.129753</a>
Alternative languages
Result language
angličtina
Original language name
Simple and complex sorption−solution isotherms for membrane polymers: a statistical thermodynamic fluctuation theory
Original language description
Simple, site-specific adsorption isotherm models, such as GAB and other generalizations of BET, fit strikingly well to experimental isotherms of simple shapes for glassy and rubbery polymers. However, the structures of dense polymers do not necessarily resemble the unrestricted layer-by-layer adsorption mechanism on one type of sorption site assumed by these models. Since polymers contain micropores, sorptive likely (ad)sorbs on the internal surfaces of the free (accessible) volume voids, and dissolves in the polymer phase. While the empirical dual mode sorption model and its variants address this duality, other common models assume chiefly only one of the two mechanisms. The simplified models do not fit complex isotherms, such as those for alcohols and poly[(trimethylsilyl)propyne] (PTMSP). The statistical thermodynamic fluctuation theory is adopted here to capture the sorption-solution duality consistently even for the complex isotherms. The statistical thermodynamic ABC isotherm derived from this theory involves the sorbate-sorbent and mono-, di-, and tri-sorbate interactions expressed by sorbate number correlations. This work shows that BET, GAB, dual mode sorption model, Flory-Huggins, and ENSIC models are special cases of the ABC isotherm. The isotherm multiplicativity principle has been derived from the number fluctuation relationship to model complex isotherms.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
ISSN
0378-4371
e-ISSN
1873-2119
Volume of the periodical
642
Issue of the periodical within the volume
May
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
16
Pages from-to
129753
UT code for WoS article
001239052500001
EID of the result in the Scopus database
2-s2.0-85192060247