Regular Solution Theory - Entropy of Mixing

Posted Nov. 12, 2015 regsol
This is the first of a series of IPython/Jupyter notebooks illustrating fundamental concepts in the statistical physics of polymers. I will be posting several more, most of which will follow concepts described in the text Polymer Chemistry by Hiemenz and Lodge, 2007. Regular solution theory is a simple statistical model useful for illustrating concepts in statistical thermodynamics. In this tutorial, I cover how to calculate the entropy of mixing for a two component system on a 2D lattice.

Regular Solution Theory - Tendency Towards Disorder

Posted Nov. 18, 2015 regsol
In this second tutorial, we use a minimalistic Monte Carlo algorithm to see how random exchanges of lattice sites leads to mixing when starting from an ordered, unmixed state, and we use the degree of mixing as a parameter to track the trajectory.

Regular Solution Theory - Enthalpy of Mixing

Posted Dec. 22, 2015 regsol2
Here we compare an analytical expression for computing the enthalpy of a mixed solution with a brute-force algorithm that counts up interaction enthalpies of individual molecules occupying sites on a 2d lattice.