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Model calculation of the gas diffusion through the polymer bulk
20
Citations
5
References
1973
Year
EngineeringMechanical EngineeringComputational ChemistryChemistryPenetrating AtomNoble GasNumerical SimulationPolymer PhysicTransport PhenomenaPolyethylene BulkThermodynamicsPolymer ChemistryMaterials SciencePolymer BulkMultiphase FlowPolymer MeltDiffusion ResistanceNatural SciencesPolymer ScienceApplied PhysicsDiffusion ProcessContinuum ModelingPolymer ModelingPolymerization KineticsChemical KineticsMultiscale Modeling
Abstract A model calculation of the diffusion of a noble gas (Ar) through the polyethylene bulk is performed on the molecular scale. The amorphous phase of the polymer chains is generated by computer calculation and the potential field due to the penetrating atom is evaluated. The diffusion process across the barriers is simulated to obtain the value of the diffusion constant.
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