Salt Counterion Valency Controls the Ionization and Morphology of Weak Polyelectrolyte Miktoarm Stars
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F22%3A10448725" target="_blank" >RIV/00216208:11310/22:10448725 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=XFbGCDNITZ" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=XFbGCDNITZ</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.macromol.2c00133" target="_blank" >10.1021/acs.macromol.2c00133</a>
Alternative languages
Result language
angličtina
Original language name
Salt Counterion Valency Controls the Ionization and Morphology of Weak Polyelectrolyte Miktoarm Stars
Original language description
The properties of weak polyelectrolyte polymer blocks vary as a function of the ionic strength and salt counterion valency. However, the specific conformational and ionization behaviors and overall morphologies of star-like micelles formed by triblock copolymers containing hydrophobic (e.g., PS), weak polyelectrolyte (e.g., PAA), and nonionizable hydrophilic (e.g., PEO) blocks remain unknown. In order to predict how these block polymers respond to variations in ionic strength and salt counterion valency, we used coarse-grained models and performed Hamiltonian Monte Carlo simulations in the reaction ensemble, assuming that hydrophobic blocks form the micellar core and describing the micelles as miktoarm stars with nonionizable and dynamically ionizable parts (weak polyelectrolyte). By sequentially varying the order of the blocks in the unimer chains, the pH, the salt concentration, and the salt counterion valency, we found that the degree of ionization of the ionizable arms strongly depends on the order of the blocks in the unimer chains. Furthermore, the star is able to capture all divalent counterions from the solution until its salt capacity. At low pH values, the radius of gyration of the star, R(g), increases with the salt concentration similarly to the degree of ionization of the ionizable region. Conversely, at high pH values, R(g) increases until peaking at the salt capacity concentration but then returns to values similar to those of the neutral polymer star. The star morphologies vary as a function of pH, salt concentration, and salt counterion valency. The stars resemble core-shell and octopus-like particles at a high pH and a high concentration of the monovalent salt but form core-shell, Janus, and patchy particles at a high pH and a high concentration of divalent salt. Combined, our findings demonstrate that the morphological type of a star-like micelle can be controlled by changing the salt counterion valency.
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
10404 - Polymer science
Result continuities
Project
<a href="/en/project/GA19-10429S" target="_blank" >GA19-10429S: Controlling encapsulation and release by charge regulation and multivalent interactions with supramolecular polymer carriers</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Macromolecules
ISSN
0024-9297
e-ISSN
1520-5835
Volume of the periodical
55
Issue of the periodical within the volume
14
Country of publishing house
US - UNITED STATES
Number of pages
13
Pages from-to
6247-6259
UT code for WoS article
000826995600001
EID of the result in the Scopus database
2-s2.0-85135981107