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Coupling Deterministic and Stochastic Simulation to Model the Polymeric Microstructure of LDPE
Author(s) -
Neuhaus Eric,
Busch Markus,
Gonioukh Andrei,
Herrmann Thomas,
Lilge Dieter,
Mannebach Gerd,
Vittorias Iakovos
Publication year - 2013
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.201200068
Subject(s) - macromolecule , microstructure , low density polyethylene , stochastic simulation , statistical physics , materials science , stochastic modelling , coupling (piping) , biological system , computer science , polymer , composite material , physics , mathematics , chemistry , biochemistry , statistics , biology
Summary: Simulation based process development of new LDPE grades often requires a deep insight into the exact microstructure of individual macromolecules. Therefore, we developed an approach, which combines the advantages of the deterministic (low computational time and high accuracy) and stochastic simulation (individual macromolecules with distinct microstructure). The approach can be used for the modeling of continuously driven autoclave and tubular reactors. First results visualize the random conformation of a distinct macromolecule as well as the resulting contraction factor.