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Beyond the continuum: how molecular solvent structure affects electrostatics and hydrodynamics at solid-electrolyte interfaces.

Abstract:

Standard continuum theory fails to predict several key experimental results of electrostatic and electrokinetic measurements at aqueous electrolyte interfaces. In order to extend the continuum theory to include the effects of molecular solvent structure, we generalize the equations for electrokinetic transport to incorporate a space dependent dielectric profile, viscosity profile, and non-electrostatic interaction potential. All necessary profiles are extracted from atomistic molecular dynami...

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Publisher copy:
10.1021/jp402482q

Authors


Journal:
The journal of physical chemistry. B
Volume:
117
Issue:
39
Pages:
11397-11413
Publication date:
2013-10-05
DOI:
EISSN:
1520-5207
ISSN:
1520-6106
URN:
uuid:a6a58902-7cb6-48ef-9f26-38efe007cf99
Source identifiers:
434465
Local pid:
pubs:434465

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