Water Desalination Using Polyelectrolyte Hydrogel: Gibbs Ensemble Modeling

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F22%3A10452318" target="_blank" >RIV/00216208:11310/22:10452318 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=~XVXPX5sqJ" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=~XVXPX5sqJ</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/gels8100656" target="_blank" >10.3390/gels8100656</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Water Desalination Using Polyelectrolyte Hydrogel: Gibbs Ensemble Modeling

Popis výsledku v původním jazyce

Polyelectrolyte hydrogels can absorb a large amount of water across an osmotic membrane as a result of their swelling pressure. On the other hand, the insoluble cross-linked hydrogel network enables dewatering under the influence of external (thermal and/or mechanical) stimuli. Moreover, from a thermodynamic perspective, a polyelectrolyte hydrogel is already an osmotic membrane. These properties designate hydrogels as excellent candidates for use in desalination, at the same time avoiding the use of expensive membranes. In this article, we present our recent theoretical study of polyelectrolyte hydrogel usage for water desalination. Employing a coarse-grained model and the Gibbs ensemble, we modeled the thermodynamic equilibrium between the coexisting gel phase and the supernate aqueous salt solution phase. We performed a sequence of step-by-step hydrogel swellings and compressions in open and closed systems, i.e., in equilibrium with a large and with a comparably small reservoir of aqueous solution. The swelling in an open system removes ions from the large reservoir, whereas the compression in a closed system decreases the salt concentration in the small reservoir. We modeled this stepwise process of continuous decrease of water salinity from seawater up to freshwater concentrations and estimated the energy cost of the process to be comparable to that of reverse osmosis.

Název v anglickém jazyce

Water Desalination Using Polyelectrolyte Hydrogel: Gibbs Ensemble Modeling

Popis výsledku anglicky

Polyelectrolyte hydrogels can absorb a large amount of water across an osmotic membrane as a result of their swelling pressure. On the other hand, the insoluble cross-linked hydrogel network enables dewatering under the influence of external (thermal and/or mechanical) stimuli. Moreover, from a thermodynamic perspective, a polyelectrolyte hydrogel is already an osmotic membrane. These properties designate hydrogels as excellent candidates for use in desalination, at the same time avoiding the use of expensive membranes. In this article, we present our recent theoretical study of polyelectrolyte hydrogel usage for water desalination. Employing a coarse-grained model and the Gibbs ensemble, we modeled the thermodynamic equilibrium between the coexisting gel phase and the supernate aqueous salt solution phase. We performed a sequence of step-by-step hydrogel swellings and compressions in open and closed systems, i.e., in equilibrium with a large and with a comparably small reservoir of aqueous solution. The swelling in an open system removes ions from the large reservoir, whereas the compression in a closed system decreases the salt concentration in the small reservoir. We modeled this stepwise process of continuous decrease of water salinity from seawater up to freshwater concentrations and estimated the energy cost of the process to be comparable to that of reverse osmosis.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10404 - Polymer science

Projekt

<a href="/cs/project/GJ19-17847Y" target="_blank" >GJ19-17847Y: Vývoj účinných metod odsolování pomocí polyelektrolytových hydrogelů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

Gels [online]

ISSN

2310-2861

e-ISSN

2310-2861

Svazek periodika

8

Číslo periodika v rámci svazku

10

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

13

Strana od-do

656

Kód UT WoS článku

000873094400001

EID výsledku v databázi Scopus

2-s2.0-85140603595