Electrolytes induce long-range orientational order and free energy changes in the H-bond network of bulk water
| Autor: | Nikolaos Gomopoulos, Yixing Chen, Paul S. Cremer, Halil I. Okur, Gabriele Tocci, Poul B. Petersen, Chungwen Liang, Michele Ceriotti, David M. Wilkins, Carlos Macias-Romero, Sylvie Roke |
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| Rok vydání: | 2016 |
| Předmět: |
Materials science
Surface Properties surface tension 02 engineering and technology Electrolyte electrolytes 010402 general chemistry 01 natural sciences Atomic units Surface tension symbols.namesake Molecular dynamics Nanotechnology Nanoscopic scale Research Articles Multidisciplinary second harmonic generation nonlinear light scattering nuclear quantum effects Water SciAdv r-articles Hydrogen Bonding 021001 nanoscience & nanotechnology molecular dynamics 0104 chemical sciences Condensed Matter::Soft Condensed Matter Dipole Chemistry Macroscopic scale Chemical physics Debye–Hückel equation symbols 0210 nano-technology Research Article |
| Zdroj: | Science Advances |
| Popis: | Ions induce changes in the H-bond network of water that extend by >20 nm, vary for H2O and D2O, and lead to surface tension anomalies. Electrolytes interact with water in many ways: changing dipole orientation, inducing charge transfer, and distorting the hydrogen-bond network in the bulk and at interfaces. Numerous experiments and computations have detected short-range perturbations that extend up to three hydration shells around individual ions. We report a multiscale investigation of the bulk and surface of aqueous electrolyte solutions that extends from the atomic scale (using atomistic modeling) to nanoscopic length scales (using bulk and interfacial femtosecond second harmonic measurements) to the macroscopic scale (using surface tension experiments). Electrolytes induce orientational order at concentrations starting at 10 μM that causes nonspecific changes in the surface tension of dilute electrolyte solutions. Aside from ion-dipole interactions, collective hydrogen-bond interactions are crucial and explain the observed difference of a factor of 6 between light water and heavy water. |
| Databáze: | OpenAIRE |
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