1. Exact solution for a general FJC polyelectrolyte model with up to Next Nearest Neighbour Interactions
- Author
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Orradre, Javier, Blanco, Pablo M., Madurga, Sergio, Mas, Francesc, and Garces, Josep Lluis
- Subjects
Condensed Matter - Soft Condensed Matter ,Condensed Matter - Statistical Mechanics - Abstract
This work presents a polyelectrolyte (PE) model based on a freely jointed chain (FJC) in which the beads are ionizable and the bonds are rigid. Electrostatic interactions considered are of the short range type up to next-nearest neighbours using a Debye-H\"uckel (DH) potential. Exact expressions for the conformational and protonation properties are obtained as a function of the pH using the transfer matrix method and the integration of the angular variables. For the finite cases with low N values, relevant differences arise on both the protonation curve and the end to end distance due to the end effects. However, when increasing N a rather rapid convergence is observed to the infinite chain limiting case., Comment: 9 pages, 3 figures (1 figure with one image, 2 figures with 2 images)
- Published
- 2024