# 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:

**Vladimir Baulin**(Tarragona, Spain)

**Emmanuel Trizac**(Paris, France)

**Vladimir Baulin**(Tarragona, Spain)

**Beibei Huang**(Tarragona, Spain)

**Vladimir Baulin**(Tarragona, Spain)

**Beibei Huang**(Tarragona, Spain)

- The model and the theory:
- Implementation and description of the program:
- Latest version at

*Self-assembly of spherical interpolyelectrolyte complexes from oppositely charged polymers*", Soft Matter, 8(25), 6755-6766 (2012)

*IPEC solver: Numerical simulation tool to study inter-polyelectrolyte complexation*", submitted (2012)

**Physical address**:

Universitat Rovira i Virgili, Av. Paisos Catalans, 26, Tarragona 43007, Spain

Use**contact details**to give us a feedback or suggestion.

## Screenshots

## Instructions

**two groups**:

##### 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.

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".## 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**