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I am trying to develop phase coexistence curves for generic polymers. Of course, I can use standard Flory theory free energy functionals to do this, but I want to define my nearest neighbor polymer-polymer and polymer-solvent interaction energies explicitly, and run numerical experiments.

I am thinking about running Monte Carlo simulations of polymers on a discrete lattice. My question is, does such software exist? I want to plant a polymer on a lattice along with solvent molecules and examine the behavior of the system after $N$ moves.

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  • $\begingroup$ I gave +1 long ago, but how is this going so far? Have you learned anything about the question since asking it, that you might be able to share with us? $\endgroup$
    – Nike Dattani
    Jan 14, 2022 at 1:52

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Ironically, there exist no on-lattice software for such a Flory-Huggins software. This is primarily because there are no set standards for running such simulations!

Most people run their own DIY code to do this stuff.

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