Abstract
AbstractA threeâstep multiscale modeling approach to predict and thus control polymer properties, such as flow behavior and linear as well as nonâlinear rheology, based on polymerization conditions, is developed and applied for longâchain branched lowâdensity polyethylene (LDPE). The approach consists of i) a deterministic kinetic model for the description of conversion and average polymer characteristics, ii) a hybrid stochastic Monte Carlo model for the description of the polymeric microstructure, and iii) a rheology model for the evaluation of polymer melt flow properties. The modeling approach is validated via highâpressure miniplant LDPE samples with a special focus on longâchain branching. In the next step, the modeling approach can be successfully transferred to a tubular reactor of industrial scale. Due to its universality the approach opens up possible applications for other polymer and also copolymer systems.
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