Molecular Dynamic Simulation of Polymer-Clay Nanocomposites Containing Positive ion of Adenine

Molecular Dynamic Simulation of Polymer-Clay Nanocomposites Containing Positive ion of Adenine

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Part of #Molecular Dynamic Simulation of Polymer-Clay Nanocomposites Containing Positive ion of Adenine# :

Publishing year : 2013

Conference : Third National Symposium on Chemistry Applications in New Technologies

Number of pages : 5

Abstract: In this research, the polymer-clay nanocomposites which the positive ion of adenine located between itslayers instead of sodium ion was studied by molecular dynamic methods. The energy and volume of this clay have been analyzed to show the effect of central adenine on clay properties. The remarkable result obtained is that by the layers volume and distance significantly depends on the adenine attachment substituent. However, it was shown that the volume of nanoclay is not linearly dependent on the volume of the substituent. On the other hand, the energy and volume of the system have been drastically affected by temperature