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

Table 8

Nonbonded energies PCNs.

Component of PCN	Electrostatic 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-polymer	12	−182	−170
Clay-modifier	−1464	−375	−1839
Polymer-modifier	−209	−30	−239