Tilen Berglez (Avtor), Ksenija Kogej (Avtor), Jurij Reščič (Avtor)

Povzetek

Effects of hydrophobicity and stereochemistry of poly($\alpha$-alkyl carboxylic acids) on the properties of TiO$_2$ suspensions were studied with experimental and in silico methods. Zeta potential measurements show that the addition of the more hydrophilic poly(acrylic acid) (PAA) to TiO$_2$ suspensions shifts the isoelectric point of the nanoparticles towards lower pH the most, followed by poly(methacrylic acid) (PMA) and poly(ethacrylic) acid (PEA). Stereochemistry has a less pronounced effect on suspension stability, except at low pH, where isotactic PMA (iPMA) is not soluble in water. Dynamic light scattering measurements show that the aggregate size of the nanoparticles correlates well with their zeta potential and the aggregates are largest at the isoelectric point of the nanoparticles. Molecular dynamics (MD) and Monte Carlo (MC) computer simulations were used to study the interaction of polyacids with the surface of nanoparticles. MD simulations show that PAA forms the largest amount of hydrogen bonds with TiO$_2$, followed by PMA. PEA forms very low numbers of hydrogen bonds with the nanoparticle surface. MC simulations were used to study the effect of pK$_a$ of COOH groups of polyacids on their adsorption on TiO$_2$. It was found that even small differences in pK$_a$ between the polyacids have a strong effect.

Ključne besede

nanodelci titanovega dioksida;poli(alkil arilna kislina);stabilnost suspenzij;Zeta potencial;dinamično sipanje svetlobe;računalniške simulacije;titanium dioxide nanoparticles;poly(alkyl acrylic acid);suspension stability;Zeta potential;dynamic light scattering;computer simulations;

Podatki

Jezik: Angleški jezik
Leto izida:
Tipologija: 1.01 - Izvirni znanstveni članek
Organizacija: UL FKKT - Fakulteta za kemijo in kemijsko tehnologijo
UDK: 544.778.3
COBISS: 158559491 Povezava se bo odprla v novem oknu
ISSN: 0167-7322
Št. ogledov: 507
Št. prenosov: 18
Ocena: 0 (0 glasov)
Metapodatki: JSON JSON-RDF JSON-LD TURTLE N-TRIPLES XML RDFA MICRODATA DC-XML DC-RDF RDF

Ostali podatki

Sekundarni jezik: Slovenski jezik
Sekundarne ključne besede: nanodelci titanovega dioksida;poli(alkil arilna kislina);stabilnost suspenzij;zeta potencial;dinamično sipanje svetlobe;računalniške simulacije;
Vrsta dela (COBISS): Članek v reviji
Strani: str. 1-11
Zvezek: ǂVol. ǂ386, [article no.] 122464
Čas izdaje: 15 Sep. 2023
DOI: 10.1016/j.molliq.2023.122464
ID: 19542408