Modeling of weak polyelectrolyte hydrogels under compression - Implications for water desalination

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F21%3A10436087" target="_blank" >RIV/00216208:11310/21:10436087 - isvavai.cz</a>

Result on the web

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=7fB-ZTNYRm" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=7fB-ZTNYRm</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.desal.2021.114995" target="_blank" >10.1016/j.desal.2021.114995</a>

Result language

angličtina

Original language name

Modeling of weak polyelectrolyte hydrogels under compression - Implications for water desalination

Original language description

Hydrogels immersed in salty solutions induce partitioning of small ions that can be exploited for water desalination. This partitioning also affects the H+ ions, leading to a decrease of the pH in the gel as compared to supernatant solution. When using weak polyelectrolyte gels, this lower pH may decrease their ionization degree, and hence diminish their desalination capacity. Using the recently developed grand-reaction ensemble, we performed particle-based computer simulations of a gel in contact with a reservoir of salt solution at pH similar or equal to 7. We showed that the effect of ion partitioning on the ionization degree is negligible, as long as the salinity of the reservoir is high. However, when the reservoir salinity approaches that of fresh water, the ionization degree of weak polyelectrolyte gel is significantly decreased, thus making it a less efficient desalination agent. Furthermore, we demonstrated that the ionization degree of the gel is decreased upon compression. However, up to pressures of approximately 30 bar this does not significantly affect the ion partitioning. Our result predict that weak polyelectrolyte hydrogels, such as the often employed poly(acrylic acid), can be efficiently used to lower the salinity of sea- or brackish water, while they will be inefficient in desalinating water of low salinity.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/GJ19-17847Y" target="_blank" >GJ19-17847Y: Development of effective desalination methods using polyelectrolyte hydrogels</a><br>

Continuities

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

Publication year

2021

Confidentiality

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

Name of the periodical

Desalination

ISSN

0011-9164

e-ISSN

—

Volume of the periodical

506

Issue of the periodical within the volume

June

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

8

Pages from-to

114995

UT code for WoS article

000632988000003

EID of the result in the Scopus database

2-s2.0-85101238771