MOLECULAR MODELING OF VERMICULITE / POLYETHYLENE NANOCOMPOSITE

@inproceedings{Tokarsk2013MOLECULARMO,
  title={MOLECULAR MODELING OF VERMICULITE / POLYETHYLENE NANOCOMPOSITE},
  author={Jon{\'a}{\vs} Tokarsk{\'y} and Marta Val{\'a}{\vs}kov{\'a}},
  year={2013}
}
The finding that an addition of small amount of vermiculite (VMT) into polyethylene (PE) matrix (without any additives) leads to the material exhibiting antibacterial poperties was the motivation for the preparation of VMT/PE nanocomposite. X-ray diffraction analysis together with molecular modeling using Universal force field as implemented in Materials Studio modeling environment allows us to study the nanocomposite structure, even in the interlayer space of VMT. Three sets of models… CONTINUE READING

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