Nucleation Mechanisms of Aromatic Polyesters, PET, PBT, and PEN, on Single-Wall Carbon Nanotubes: Early Nucleation Stages

Table 3

Interaction energies for face-to-face configuration of DET, DBT, and DND on armchair and zigzag nanotubes.

Nanotube			Interaction energy (kcal/mol)
	CNT diameter; (Å)	CNT length; (Å)	DET	DBT	DND
449 armchair	5.42	22.14	−4.73	−5.80	−5.15
559 armchair	6.78	22.14	−4.02	−5.14	−4.51
805 zigzag	6.26	21.30	−4.03	−5.88	−4.37
1005 zigzag	7.83	21.30	−16.49	−12.45	−19.31