Multivalent counterions accumulate in star-like polyelectrolytes and collapse the polymer in spite of increasing its ionization

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F20%3A10419518" target="_blank" >RIV/00216208:11310/20:10419518 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=h_u_ME3lXl" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=h_u_ME3lXl</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c9sm02318f" target="_blank" >10.1039/c9sm02318f</a>

Result language
angličtina
Original language name
Multivalent counterions accumulate in star-like polyelectrolytes and collapse the polymer in spite of increasing its ionization
Original language description
We used computer simulations to explore the dissociative and conformational behaviour of branched weak polyelectrolytes with multivalent counterions. We compared simulated titration curves and chain sizes in the presence of added salt of various valencies, keeping the total charge of salt constant. We showed that multivalent counterions enhance ionization of the weak polyelectrolytes, in spite of collapsing of the chains. We provided evidence that such an effect is absent in systems with only monovalent counterions at the same ionic strength, and thus cannot be attributed to electrostatic screening. We attributed it to strong ion-ion correlations that we quantified by comparing potentials of mean force with the mean electrostatic potentials. Finally, we used the partition coefficient to quantify the ability of star-like polyelectrolytes to capture multivalent ions, that is important for water-treatment applications. Our work provides fundamental understanding of the mechanism of polyelectrolyte collapse and ionization response upon addition of multivalent ions.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10404 - Polymer science

Project
<a href="/en/project/GJ17-02411Y" target="_blank" >GJ17-02411Y: Multiscale modeling of responsive polymer gels</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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