IPEC solver: Numerical simulation tool of polyion complex aggregation
IPEC solver is a windows program designed to analyse the stability of core-shell polyelectrolyte 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 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 provided.

- Theory and model:
- Design:
- Numerical implementation:
- Graphical interface:
- The model and the theory:
- Implementation and description of the program:
- Latest version at
Universitat Rovira i Virgili, Av. Paisos Catalans, 26, Tarragona 43007, Spain
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Screenshots




Instructions
The structure and geometry of the chains:
The charge of the block copolymer chains, the length of the charged blocks and the length of neutral blocks.
Solution properties:
These parameters describe the bulk properties of the solution of block-copolymers.
ka is the salt concentration, while c+ and c- are the concentrations of unimers of positively and negatively charged polymers respectively.


Solving Equations

Output distribution


Electrostatic properties

Download
Get it!
- Win installation package
- Standard windows installation procedure
- Unpack zip-file
- Run setup.exe
- Size: 1,5MB
Get it!
- Portable executables
- Can be used as is, program does not require installation
- Unpack zip-file
- Run IPEC.exe
- Size: 1,2MB