Year: 1996
Type: article
Abstract: A new Monte Carlo method for computing thermodynamical properties of very large polyelectrolytes is presented. It is based on a renormalization group relating the original polymer to a smaller system, where, in addition to the naively rescaled forces, a corrective nearest-neighbor interaction originating from the short distance Coulomb cutoff is introduced. The method is derived for low T but is in the unscreened case valid for all T. Large polymers with N monomers are emulated by Monte Carlo calculations on smaller systems, $K\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}N/Q$. The computational gain of the method is ${Q}^{3}$ and is explored with emphasis on room temperature.
Source: Physical Review Letters
Authors: Carsten Peterson, Ola Sommelius, Bo Söderberg
Institution: Lund University
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2116328264