Reversed Anionic Hofmeister Series: The Interplay of Surface Charge and Surface Polarity

• Published in: Langmuir Vol. 26; no. 10; pp. 7370 - 7379
• Main Authors: Schwierz, Nadine, Horinek, Dominik, Netz, Roland R
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 18.05.2010
• Subjects: Adsorption; Anions - chemistry; Biological Interfaces: Biocolloids, Biomolecular and Biomimetic Materials; Chemistry; Colloidal state and disperse state; Colloids - chemistry; Exact sciences and technology; General and physical chemistry; Halogens - chemistry; Hydrophobic and Hydrophilic Interactions; Models, Chemical; Molecular Dynamics Simulation; Sodium - chemistry; Surface physical chemistry; Surface Properties; Self assembly; Monolayer; Surface charge; Phase diagram; Theory; Coagulation; Solubility; Molecular dynamics; Ions; Hydrophobicity; Potential; Modeling; Protein; Transients; Simulation; Halides; Classification; Distribution; Polarity; Kinetics; Electrostatic force

We describe a two-scale modeling approach toward anion specificity at surfaces of varying charge and polarity. Explicit-solvent atomistic molecular dynamics simulations at neutral hydrophobic (i.e., nonpolar) and neutral hydrophilic (i.e., polar) self-assembled monolayers furnish potentials of mean...