. 2021 Dec 31;7(1):780–785. doi: 10.1021/acsomega.1c05422

Table 2. Interaction Energy of Different Systems (E_pot is the Potential Energy, E_non is the Nonbonded Interaction Energy, E_vdW is the van der Waals Energy, and E_elec is the Electrostatic Energy).

systems	E_pot (kcal/mol)	E_non (kcal/mol)	E_vdW (kcal/mol)	E_elec (kcal/mol)
H₂O (system a)	–7472.76	–9048.18	2450	–11498.18
H2O (system b)	–6793.28	–8341.19	2477.57	–10818.19
H₂O–bituminous coal	–698.03	–666.01	–131.12	–534.89
SDS &APG1214–bituminous coal	–1389.91	–1381.75	–364.35	–1017.4
H₂O–SDS &; APG1214–bituminous coal	–3819.68	–3799.09	–375.87	–3423.22

Table 2. Interaction Energy of Different Systems (Epot is the Potential Energy, Enon is the Nonbonded Interaction Energy, EvdW is the van der Waals Energy, and Eelec is the Electrostatic Energy).