Sökning: "Magnus Ullner"

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  1. 1. Statistical Mechanical Studies of Titrating Polyelectrolytes

    Författare :Magnus Ullner; Kemiska institutionen; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; integral equation theory; variational calculations; Monte Carlo simulations; end-to-end separation; apparent dissociation constant; titrating polyelectrolytes; electrostatic interactions; Physical chemistry; Fysikalisk kemi;

    Sammanfattning : Different models and statistical mechanical approximations for titrating polyelectrolytes are studied and the results compared with Monte Carlo simulations and experimental data. Three types of models have been used in the simulations: i) rigid structures and freely jointed chains with ii) rigid bonds and iii) flexible, harmonic bonds. LÄS MER