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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....
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| 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 |