Modeling Zeta Potential for Nanoparticles in Solution: Water Flexibility Matters

[Image: see text] Nonequilibrium molecular dynamics simulations were performed to study the electrokinetic properties of five mainstream TIPxP water models (namely, TIP3P-FB, TIP3Pm, TIP4P-FB, TIP4P-Ew, and TIP4P/2005) in NaCl aqueous solutions in the presence of a negatively charged TiO(2) surface....

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Detalles Bibliográficos
Autores principales: Siani, Paulo, Frigerio, Giulia, Donadoni, Edoardo, Di Valentin, Cristiana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10201526/
https://www.ncbi.nlm.nih.gov/pubmed/37223652
http://dx.doi.org/10.1021/acs.jpcc.2c08988

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10201526/
https://www.ncbi.nlm.nih.gov/pubmed/37223652
http://dx.doi.org/10.1021/acs.jpcc.2c08988

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