IPEC Solver: Numerical simulation tool to study inter-polyelectrolyte complexation
نویسندگان
چکیده
IPEC solver is a windows program designed to analyze the stability of core-shell interpolyelectrolyte complexes formed by complexation of oppositely charged block co-polymers. The two-dimensional size distribution (number of anions and cations) of the complexes is calculated based on the scaling model of block co-polymer aggregation and Poisson-Boltzmann theory for electrostatic interactions (VA Baulin, E. Trizac, Soft Matter, 8(25), 6755-6766 (2012)). Salt effects, charge distribution and distributions of small ions around the complexes are calculated numerically as a function of chains composition and solvent properties.
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عنوان ژورنال:
- Computer Physics Communications
دوره 184 شماره
صفحات -
تاریخ انتشار 2013