. 2021 Mar 22;6(13):8950–8957. doi: 10.1021/acsomega.0c06272

Table 1. Diffusion Coefficient (D) and Interaction Energy ± Standard Deviations between NH₃ and HCl-PANI (kcal/mol) of each HCl-PANI System.

systems with different ratios of NH₃ and Cl	D values (cm²/s)	interaction energy between NH₃ and HCl-PANI (kcal/mol)
0.33:1.00	6.54905 × e^–0.7	–1032 ± 135
0.67:1.00	6.04372 × e^–0.7	–1831 ± 442
1.00:1.00	4.59450 × e^–0.7	–2307 ± 370
1.33:1.00	3.51649 × e^–0.7	–3417 ± 436

Table 1. Diffusion Coefficient (D) and Interaction Energy ± Standard Deviations between NH3 and HCl-PANI (kcal/mol) of each HCl-PANI System.