Simple and complex sorption−solution isotherms for membrane polymers: a statistical thermodynamic fluctuation theory

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Simple and complex sorption−solution isotherms for membrane polymers: a statistical thermodynamic fluctuation theory

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Simple and complex sorption−solution isotherms for membrane polymers: a statistical thermodynamic fluctuation theory

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

ISSN

0378-4371

e-ISSN

1873-2119

Svazek periodika

642

Číslo periodika v rámci svazku

May

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

16

Strana od-do

129753

Kód UT WoS článku

001239052500001

EID výsledku v databázi Scopus

2-s2.0-85192060247