Disentangling Self-Atomic Motions in Polyisobutylene by Molecular Dynamics Simulations
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DOI: 10.3390/polym13040670
Abstract: We present fully atomistic molecular dynamics simulations on polyisobutylene (PIB) in a wide temperature range above the glass transition. The cell is validated by direct comparison of magnitudes computed from the simulation and measured by… read more here.
Keywords: atomic motions; self atomic; methyl group; disentangling self ... See more keywords