Table 3.

Liquid-vapor densities, thickness, and Gibbs’ Dividing Surface (GDS) from fits to an error function as described in the text (Equation 7). Also shown are the system dimensions (L_x, L_y, L_z) and number of water and methanol molecules used as the simulation system.

	ρL (gr/cm3)	ρV (gr/cm3)	${\delta }_{10-90}^e$ (Å)	zo(GDS) (Å)	Nwater	NMeoh	Lx, Ly (Å)	Lz (Å)
0.1	0.986 ±0.001	0.0	3.574 ±0.077	18.528 ±0.011	864	96	29.0	156
0.2	0.975 ±0.001	0.0	3.878 ±0.092	22.637 ±0.015	864	216	29.0	156
0.3	0.961 ±0.001	0.0	4.092 ±0.158	13.973 ±0.021	432	186	29.0	156
0.4	0.946 ±0.001	0.0	4.385 ±0.067	17.595 ±0.008	432	288	29.0	156
0.5	0.926 ±0.001	0.0	4.735 ±0.143	22.884 ±0.033	432	432	29.0	156
0.6	0.904 ±0.002	0.0	4.986 ±0.168	26.574 ±0.061	370	554	29.0	156
0.7	0.880 ±0.002	0.0	5.329 ±0.155	24.623 ±0.049	238	554	29.0	156
0.8	0.855 ±0.002	0.0	5.562 ±0.093	23.144 ±0.058	138	554	29.0	156
0.9	0.830 ±0.001	0.0	5.961 ±0.199	22.198 ±0.041	62	554	29.0	156