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• W2318452110 abstract "The effect of higher α-olefin comonomer on physical properties of short chain branched (SCB) polyethylene (PE) melts at 450 K has been studied using connectivity altering Monte Carlo simulations. The calculated chain dimensions per molecular mass scale with backbone weight fraction, ϕ, as ⟨S2⟩/M ∼ ϕ1.27±0.03 for the radius of gyration S and ⟨R2⟩/M ∼ ϕ1.27±0.03 for the end-to-end distance R, in very good agreement with the experiment-based result ⟨R2⟩/M ∼ ϕ1.30. The observed dependence is consistent with the decrease in the fraction of trans states along the backbone. The entanglement tube diameter, app, computed for SCB melts scales as ⟨app⟩ ∼ ϕ–0.46±0.01, which is close to the result for model concentrated (⟨R2⟩ = const) PE solutions created by deleting randomly chosen chains from equilibrated melt configurations of linear PE (⟨app⟩ ∼ ϕ–0.41±0.01). The latter result agrees very well with the scaling based on rheological experiments on concentrated hydrogenated polybutadiene (HPB)/C24H50 solutions at 413 K (⟨app⟩ ∼ ϕ–0.45). The tube diameter in model athermal PE solutions scales as ⟨app⟩ ∼ ϕ–0.6±0.03, in excellent agreement with the scaling based on the neutron spin-echo experiments on athermal HPB/C19D40 solutions at 509 K (⟨app⟩ ∼ ϕ–0.6). The computed scaling relationships for both SCB melts and model PE solutions are close to the binary contact model (app ∼ ϕ–0.5) and disagree with the packing model (app ∼ ϕ–1.27). The solubility parameters calculated for poly(ethylene-co-1-butene) (PEB) melts are in excellent agreement with relative solubility parameters based on SANS analysis of appropriate SCB blends, which scale as δ ∼ ϕ0.18. The SANS-derived relative solubility parameters for poly(ethylene-co-1-hexene) (PEH) and poly(ethylene-1-octene) (PEO) systems scale more weakly (δ ∼ ϕ0.1) and suggest breakdown of a universal correlation. This pattern is followed by simulated relative solubility parameters." @default.
• W2318452110 created "2016-06-24" @default.
• W2318452110 creator A5013078740 @default.
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• W2318452110 creator A5053935168 @default.
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• W2318452110 date "2012-10-01" @default.
• W2318452110 modified "2023-10-10" @default.
• W2318452110 title "Monte Carlo Simulation of Short Chain Branched Polyolefins: Structure and Properties" @default.
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• W2318452110 doi "https://doi.org/10.1021/ma301322v" @default.
• W2318452110 hasPublicationYear "2012" @default.
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