Cytosine Containing Polymer-Clay Nanocomposites: a Molecular Dynamic Simulation

In this research, the polymer-clay nanocomposites with the positive ion of cytosine between its layersinstead of sodium ion were studied by molecular dynamic methods. Energy and volume of this claywere analyzed to show the effect of central cytosine on clay properties.Remarkable obtained considerably result is that the properties of nanoclay depends on nature ofsubstituent attached to cytosine. However it was shown that the volume of nanoclay is not linearlydepend on volume of substituent. On the other hand energy and volume of system was drasticallyaffected by temperature.

کلیدواژه ها:

Polymer Clay Nanocomposites ، Cytosine ، Molecular Dynamics