Molecular Structure Characteristics and Wetting Behaviors of Alkyl Binary Doped Ionic Liquids’ Thin Lubricating Films on Silicon Surfaces: Molecular Dynamics Simulations

Table 2

Energy compositions of the molecular system at different ratios.

Ratios ([CMIM]Cl : [DMIM]PF6)	Internal energy (kJ/mol)				Nonbond energy (kJ/mol)
	Bond	Angle	Torsion	Out-of-plane	Cross terms	VDW repulsive	VDW dispersive	Electrostatic
1 : 1	190.7	1206.3	−2061.6	2.4	−172.9	5021.5	−6716.5	−1657.2
1 : 2	224.2	1355	−2480	2.3	−242.5	5652.3	−7529.1	−1738.1
1 : 3	256.9	1508.5	−2885.7	2.4	−299.9	6296.6	−8396.9	−1814.3
1 : 4	291.8	1676.9	−3296.1	3.8	−381.7	6762.6	−9011.5	−1930.5
1 : 5	325.5	1836.1	−3701.8	4.5	−442.2	7390.1	−9831.6	−2078.2
1 : 6	361.8	1979.9	−4120.5	4.8	−517.6	7998.9	−10645.8	−2145.3
1 : 7	398.5	2151.9	−4543.9	5.5	−578.4	8466.5	−11238.7	−2221.2
1 : 8	492.5	2505.3	−4850	5.9	−662.7	8995.7	−11699.1	−4051.9
1 : 9	519.0	2645.5	−5292.8	7.4	−738.9	9478.5	−12327.3	−4193.9
1 : 10	502.7	2632.6	−5769.7	7.1	−791.7	10436.1	−13824.1	−2547.5