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Molecular Closure Implementation

Open tlytle1978 opened this issue 3 years ago • 1 comments

I have made the changes necessary to implement the R-MMSA, R-MPY, and R-LWC closures. This did require modification of the core files PRISM.py and system.py. I also included a Picard iteration solver (solve_picard), which can be useful under certain conditions, especially when using the R-MPY closure. I have been able to replicate most of the results from "Integral equation theory of polymer blends: Numerical investigation of molecular closure approximations" by A. Yethiraj and K. Schweizer using the attached code in the .zip file.

polymer_blend_scripts.zip

tlytle1978 avatar May 25 '21 23:05 tlytle1978