Classical Density Functional Theory of Ionic Solutions

Summary, in English

The basic structure of classical density functional theory (DFT) is reviewed from a rather general perspective. The treatment is then specialized to ionic solutions, describing the various possible extensions beyond the Poisson–Boltzmann level, that DFT offers, such as excluded volume effects, non-electrostatic interactions, connectivity (polymers) and ion correlations. The last effects are discussed rather thoroughly, with several explicit illustrations.

• Author: Jan Forsman; Clifford Woodward; Ryan Szparaga
• Department/s: Computational Chemistry
• Publishing year: 2015-01-01
• Language: English
• Pages: 17-38
• Publication/Series: Computational Electrostatics for Biological Applications.
• Links: http://dx.doi.org/10.1007/978-3-319-12211-3_2
• Document type: Book chapter
• Publisher: Springer
• Topic: Theoretical Chemistry (including Computational Chemistry)
• Status: Published
• ISBN/ISSN/Other: ISBN: 978-3-319-12211-3; ISBN: 978-3-319-12210-6