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:
- Numerical implementation:
- Graphical interface:
- The model and the theory:
- Implementation and description of the program:
- Latest version at
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.
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.
The range of aggregation numbers of chains of both signs can be introduced in the windows below the grid. Another way to introduce input parameters is to load directly from the file "parameter.in" containing all input parameters. When user choose "Save Parameters", IPEC will save all the input parameters into "parameter.in".
- Win installation package
- Standard windows installation procedure
- Unpack zip-file
- Run setup.exe
- Size: 1,5MB
- Portable executables
- Can be used as is, program does not require installation
- Unpack zip-file
- Run IPEC.exe
- Size: 1,2MB