Static and Dynamic Properties of a n-C100H202 Melt from Molecular Dynamics Simulations

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Static and Dynamic Properties of a n-C100H202 Melt from Molecular Dynamics Simulations

subject

Alkane chemistry.chemical_classification Self-diffusion Work (thermodynamics)Polymers and Plastics Organic Chemistry Thermodynamics Polyethylene Inorganic Chemistry Molecular dynamics chemistry.chemical_compound Molten state chemistry Materials Chemistry Radius of gyration Physical chemistry

description

We present in this work results from atomistic molecular dynamics simulations of a n-C100H202 melt. This work represents a first effort to simulate a fully equilibrated ensemble of chains of suffic...

year	journal	country	edition	language
1997-12-01	Macromolecules

https://doi.org/10.1021/ma971184d

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