دورية أكاديمية
Collins's rule, Hofmeister effects and ionic dispersion interactions
| العنوان: | Collins's rule, Hofmeister effects and ionic dispersion interactions |
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| المؤلفون: | Duignan, Timothy T., Parsons, Drew F., Ninham, Barry W. |
| بيانات النشر: | Elsevier |
| سنة النشر: | 2014 |
| المجموعة: | The University of Queensland: UQ eSpace |
| مصطلحات موضوعية: | Correlated Molecular Calculations, Perturbation-Theory Approach, Density-Functional Theory, Consistent Basis-Sets, Convergent Basis-Sets, Gaussian-Basis Sets, Surface-Tension, Free-Energy, Hydration, Electrolytes |
| الوصف: | Models based solely on electrostatics cannot explain ion specific properties of electrolyte solutions. We give calculations of dispersion interactions of ions with other ions and with water molecules. These are done via ab initio Symmetry Adapted Perturbation Theory with Density Functional Theory (DFT-SAPT). The calculations establish the substantial, specific contribution of dispersion interactions to ionic interactions. They explain several puzzling properties of electrolyte solutions: the variation in solvation energy among ions of the same size, the small repulsion of iodide from the air-water interface, and the affinity of large ions for each other in water embodied in Collins's rules. (c) 2014 Elsevier B.V. All rights reserved. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| تدمد: | 0009-2614 1873-4448 |
| العلاقة: | orcid:0000-0003-3772-8057; Not set |
| الإتاحة: | https://doi.org/10.1016/j.cplett.2014.05.056Test https://espace.library.uq.edu.au/view/UQ:bf24888Test |
| رقم الانضمام: | edsbas.A7BAB8CF |
| قاعدة البيانات: | BASE |
| تدمد: | 00092614 18734448 |
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