期刊
SCIENCE
卷 333, 期 6051, 页码 1871-1874出版社
AMER ASSOC ADVANCEMENT SCIENCE
DOI: 10.1126/science.1207060
关键词
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资金
- Engineering and Physical Sciences Research Council (UK) under the Microscale Polymer Processing (MuPP) consortium
- European Union under the Marie Curie Initial Training Network Dynamics of Architecturally Complex Polymers
- Engineering and Physical Sciences Research Council [GR/T11807/01, EP/D06631X/1] Funding Source: researchfish
- EPSRC [EP/D06631X/1] Funding Source: UKRI
We present a predictive scheme connecting the topological structure of highly branched entangled polymers, with industrial-level complexity, to the emergent viscoelasticity of the polymer melt. The scheme is able to calculate the linear and nonlinear viscoelasticity of a stochastically branched high-pressure free radical polymer melt as a function of the chemical kinetics of its formation. The method combines numerical simulation of polymerization with the tube/entanglement physics of polymer dynamics extended to fully nonlinear response. We compare calculations for a series of low-density polyethylenes with experiments on structural and viscoelastic properties. The method provides a window onto the molecular processes responsible for the optimized rheology of these melts, connecting fundamental science to process in complex flow, and opens up the in silico design of new materials.
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