Communication: Mean-field theory of water-water correlations in electrolyte solutions
Long-range ion induced water-water correlations were recently observed in femtosecond elastic second harmonic scattering experiments of electrolyte solutions. To further the qualitative understanding of these correlations, we derive an analytical expression that quantifies ion induced dipole-dipole...
| Main Authors: | , , , |
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| Format: | Journal article |
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AIP Publishing
2017
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| _version_ | 1826280411931607040 |
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| author | Wilkins, D Manolopoulos, D Roke, S Ceriotti, M |
| author_facet | Wilkins, D Manolopoulos, D Roke, S Ceriotti, M |
| author_sort | Wilkins, D |
| collection | OXFORD |
| description | Long-range ion induced water-water correlations were recently observed in femtosecond elastic second harmonic scattering experiments of electrolyte solutions. To further the qualitative understanding of these correlations, we derive an analytical expression that quantifies ion induced dipole-dipole correlations in a non-interacting gas of dipoles. This model is a logical extension of the Debye-Hückel theory that can be used to qualitatively understand how the combined electric field of the ions induces correlations in the orientational distributions of the water molecules in an aqueous solution. The model agrees with the results from molecular dynamics simulations and provides an important starting point for further theoretical work. |
| first_indexed | 2024-03-07T00:13:19Z |
| format | Journal article |
| id | oxford-uuid:79fe680e-21d7-4885-91fb-c5837f2789ed |
| institution | University of Oxford |
| last_indexed | 2024-03-07T00:13:19Z |
| publishDate | 2017 |
| publisher | AIP Publishing |
| record_format | dspace |
| spelling | oxford-uuid:79fe680e-21d7-4885-91fb-c5837f2789ed2022-03-26T20:40:56ZCommunication: Mean-field theory of water-water correlations in electrolyte solutionsJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:79fe680e-21d7-4885-91fb-c5837f2789edSymplectic Elements at OxfordAIP Publishing2017Wilkins, DManolopoulos, DRoke, SCeriotti, MLong-range ion induced water-water correlations were recently observed in femtosecond elastic second harmonic scattering experiments of electrolyte solutions. To further the qualitative understanding of these correlations, we derive an analytical expression that quantifies ion induced dipole-dipole correlations in a non-interacting gas of dipoles. This model is a logical extension of the Debye-Hückel theory that can be used to qualitatively understand how the combined electric field of the ions induces correlations in the orientational distributions of the water molecules in an aqueous solution. The model agrees with the results from molecular dynamics simulations and provides an important starting point for further theoretical work. |
| spellingShingle | Wilkins, D Manolopoulos, D Roke, S Ceriotti, M Communication: Mean-field theory of water-water correlations in electrolyte solutions |
| title | Communication: Mean-field theory of water-water correlations in electrolyte solutions |
| title_full | Communication: Mean-field theory of water-water correlations in electrolyte solutions |
| title_fullStr | Communication: Mean-field theory of water-water correlations in electrolyte solutions |
| title_full_unstemmed | Communication: Mean-field theory of water-water correlations in electrolyte solutions |
| title_short | Communication: Mean-field theory of water-water correlations in electrolyte solutions |
| title_sort | communication mean field theory of water water correlations in electrolyte solutions |
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