Polymer micelle farm
The project concerns the aggregation of amphiphilic/amphipathic polymer chains,
namely the block copolymers containing the lyophilic and lyophobic fragments,
into polymeric micelles. Realization of the project applies the Metropolis Monte Carlo (MC)
method on the 3D cubic lattice implemented in the attached Pascal program metroplisPC.pas
and accompanied with the dynamic link library AmphipaticEq.dll. The choice of the method
is dictated by an extremely long relaxation time of micelle formation and equilibration.
Global modifications of chains allowed in the MC simulations are much more effective
than the standard Molecular Dynamics methods. Some useful files are here (there is the main DLL file with an exemplary program in Pascal)