Journal of Nanomaterials / 2012 / Article / Tab 8

Research Article

Role of Polymer Interactions with Clays and Modifiers on Nanomechanical Properties and Crystallinity in Polymer Clay Nanocomposites

Table 8

Nonbonded energies PCNs.

Component of PCNElectrostatic energy (kcal/mol)Van der waals energy (kcal/mol)Total nonbonded energy (kcal/mol)
[Col-A] [Col-B ] [Col-A + Col-B]

PBT-PCN

Clay-polymer−36−165−201
Clay-modifier−1836−316−2152
Polymer-modifier−93−43−136

Nylon6-PCN

Clay-polymer12−182−170
Clay-modifier−1464−375−1839
Polymer-modifier−209−30−239