Numerical Calculation of Energy Between the Sealing Materials and Sepiolite Crystal on the Different Directions

DOI

10.2991/icamcs-16.2016.57How to use a DOI?

Keywords

Energies, Nitrile-Butadiene Rubber, Sepiolite, Numerical Calculation.

Abstract

Using Universal field under a NVE ensemble Numerical Calculation and simulations were performed to investigate the interface binding energies between the Nitrile-Butadiene Rubber(NBR) and sepiolite fibers on (-1 0 0) and ( 1 0 0) lattice plane respectively. The result shows that the total force is repulsive force except the force between the acrylonitrile and NBR in the (-1 0 0) lattice plane. And the result reveals that the repulsive force of NBR/butadiene is much greater than NBR/acrylonitrile which indicates that acrylonitrile is easier to bind with NBR than butadiene. At the same time there is the conclusion that the electrostatic force is dominant comparing VDW and there is no chemical bond and hydrogenbond force.

Copyright

© 2016, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Kun Li
AU  - Boqin Gu
AU  - Wanfu Zhu
PY  - 2016/06
DA  - 2016/06
TI  - Numerical Calculation of Energy Between the Sealing Materials and Sepiolite Crystal on the Different Directions
BT  - Proceedings of the 2016 5th International Conference on Advanced Materials and Computer Science
PB  - Atlantis Press
SP  - 267
EP  - 270
SN  - 2352-5401
UR  - https://doi.org/10.2991/icamcs-16.2016.57
DO  - 10.2991/icamcs-16.2016.57
ID  - Li2016/06
ER  -