Polypbren is a program that computes the renormalized parameters (renormalized charges and screening length) for dispersions of charged spherical particles with arbitrary size distributions. The surface charge of the colloids can be fixed or regulated by pH. The Poisson-Boltzmann Cell Model and Renormalized Jellium Model are implemented. This paper details the calculations it was designed for. See also the References for more information on the scientific part.

Building

You will need the Nim compiler to compile this program. The installation instructions are here.

The following command line

nimble install polypbren

will download the source files, compile an executable (polypbren.exe on windows, polypbren elsewhere). The binary is installed by default in ~/.nimble/bin (or elsewhere depending on your nimble setting and OS).

Alternatively the whole repository (including examples) can be downloaded:

git clone https://github.com/guibar64/polypbren.git

or with nimble develop:

nimble develop polypbren

Then the main program can be manually compiled following the command lines,

cd polypbren
nim c -d:release src/polypbren

The generated executable is in the src directory. The -d:release flag is for a release build, skip it if you want stack traces, checks etc... but it is then much slower.

Usage

Assuming polypbren is in your path,

polypbren -h

will print an help message.

See Usage for more information on input files and parameters.

Solver

The module pbsolv implements a simple solver for the 1-D Poisson-Boltzmann equation.

References

S. Alexander, P. M. Chaikin, P. Grant, G. J. Morales, P. Pincus, and D. Hone, “Charge renormalization, osmotic pressure, and bulk modulus of colloidal crystals: Theory,” The Journal of Chemical Physics 80, 5776–5781 (1984), http://scitation.aip.org/content/aip/journal/jcp/80/11/10.1063/1.446600

A. Torres, G. Téllez, and R. van Roij, “The polydisperse cell model: Nonlinear screening and charge renormalization in colloidal mixtures,” Journal of Chemical Physics, Volume 128, Issue 15, pp. 154906-154906-8 (2008), http://adsabs.harvard.edu/abs/2008JChPh.128o4906T

E. Trizac and Y. Levin, “Renormalized jellium model for charge-stabilized colloidal sus- pensions,” Phys. Rev. E 69, 031403 (2004), http://link.aps.org/doi/10.1103/PhysRevE.69.031403

J. M. Falcón-González and R. Castañeda-Priego, “Renormalized jellium mean-field ap- proximation for binary mixtures of charged colloids,” Phys. Rev. E 83, 041401 (2011), http://link.aps.org/doi/10.1103/PhysRevE.83.041401

License

This project is licensed under the terms of the MIT license.