IPEC Solver: Numerical simulation tool to study inter-polyelectrolyte complexation

Published: 1 September 2013| Version 1 | DOI: 10.17632/r2393z5y4n.1
Beibei Huang, Vladimir A. Baulin


Abstract IPEC Solver is a Windows program designed to analyze the stability of core–shell inter-polyelectrolyte complexes formed by complexation of oppositely charged block copolymers. The two-dimensional size distribution of the complexes composed by different numbers of positively or negatively charged polyelectrolytes is calculated based on the scaling model of block copolymer aggregation and Poisson–Boltzmann theory for electrostatic interactions [V.A. Baulin, E. Trizac, Self-assembly of spherical... Title of program: IPEC Solver Catalogue Id: AEPM_v1_0 Nature of problem This free software is designed to illustrate physical mechanisms of self-assembly of inter-polyelectrolyte complexes in the presence of salt. It can suggest an optimal structure of the aggregates in a function of the structure of block copolymers. Versions of this program held in the CPC repository in Mendeley Data AEPM_v1_0; IPEC Solver; 10.1016/j.cpc.2013.05.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Physical Chemistry, Molecular Physics, Computational Physics