Akademska digitalna zbirka SLovenije - logo
(UM)
  • Including solvent-mediated interactions into the Poisson-Boltzmann theory : doctoral dissertation
    Bohinc, Klemen, 1970-
    Electrostatic interactions are omnipresent in colloidal and biological systems; for example they take place in aqueous solutions that contain mobile salt ions. Water plays a crucial role for the ... energetics of such systems. The ordering of water molecules changes the polarization and thus contributes to the electrostatic properties of the system. In particular, structural correlations between solvent molecules give rise to an inhomogeneous and non-local dielectric response that contributes to the energetics and the stability of biomacromolecules. This work is concerned with including solvent structures into mean-field electrostatics. It consists of three related subjects. In the first part we introduce a solvent model of interacting Langevin dipoles and incorporate that model into the Poisson-Boltzmann (PB) theory for an aqueous solution of monovalent ions in contact with a charged surface. The interplay between the electric double layer and the orientational ordering of solvent molecules determines the spatial decay of the solvent polarization. We showed that our model can result in a sign inversion of the electrostatic potential at a charged surface. The second part applies the PB model for a solvent of interacting Langevin dipoles to a mixed anionic/zwitterionic lipid layer. In the model the headgroups have ability to polarize the water in the headgroup region. The result is a positive electrostatic potential everywhere in the system. In the last part we introduce the Poisson-Helmholtz-Boltzmann theory, which adds to the electrostatic interaction potential between two ions an additional Yukawa potential. The latter accounts for solute-mediated ion-ion interactions. We demonstrate that these interactions can give rise to ion specific effects. One of the possible applications of the theory is related to the Hofmeister series. The presented analysis focuses on two systems. The first is the system of two charged surfaces embedded in a solution of only counterions, whereas the second system is one single charged surface in contact with a symmetric 1:1 electrolyte solution.
    Vrsta gradiva - disertacija ; neleposlovje za odrasle
    Založništvo in izdelava - [Maribor : K. Bohinc], 2012
    Jezik - angleški
    COBISS.SI-ID - 262942464

    Povezava(-e):

    Digitalna knjižnica Univerze v Mariboru – DKUM
    Digitalna knjižnica Slovenije - dLib.si

    Dostop z namenskih računalnikov v prostorih NUK



Knjižnica Signatura – lokacija, inventarna št. ... Status izvoda
Miklošičeva knjižnica - FPNM, Maribor D DIS 53 BOHINC K. Including
IN: 920120074 		prosto - za čitalnico
Univerzitetna knjižnica Maribor Skladišče II 81433 prosto - za čitalnico
loading ...
loading ...
loading ...

Vnos na polico