Software Architecture of the mcPolymer Simulator

Utilizing model calculations may lead to a better understanding of the complex kinetics of the radical polymerization. We developed a universal simulation tool (mcPolymer), which is based on the widely used Monte Carlo simulation technique.

The mcPolymer simulator is published as open source software under the GNU General Public License (GPL). mcPolymer runs on different platforms:  from workstation computers with Microsoft Windows up to compute servers running UNIX (Linux). Utilizing the script language TCL for the interfaces, an integration of graphic user interfaces with data visualizing programs for result presentation are possible.

M. Drache, K. Brandl, R. Reinhardt, S. Beuermann, Ab initio Kinetic Monte Carlo Simulation of Seeded Emulsion Polymerizations of Styrene, Phys. Chem. Chem. Phys. 2018, 20, 10796-10805.

B. Hosemann, M. Drache, S. Beuermann, Advanced kinetic parameter fit applied to radical copolymerizations, Macromol. Symp. 2016, 370, 17-25.

M. Drache, B. Hosemann, T. Laba, S. Beuermann, Modeling of Branching Distributions in Butyl Acrylate Polymerization Applying Monte Carlo Methods Macromol. Theory Simul. 2015, 24, 301-310.
DOI: 10.1002/mats.201400081

M. Drache, G. Drache, Simulating Controlled Radical Polymerizations with mcPolymer—A Monte Carlo Approach. Polymers 2012, 4, 1416-1442.


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