Fig. 5 Calculated electric field in P-H and H-H pores of different width. Absolute values of the electric field strengths in P-H pores are observed to be larger than those in H-H nanopores. Increases in pore width decreases the strength of the electric field in both P-H and H-H pores.
In Fig.6, we discuss the orientation of the water molecules at a concentration of 58.82% in both P-H and H-H pores. The orientational angle θ is defined as the angle between the OH vector and the unit vector normal to the surface in the z-direction (Fig. 6a). Fig. 6b shows one sharp peak in the P-H pore at 130° indicating that the two OH bonds are aligned with the direction of the electric field. These results are similar to those presented in Skinner et al.98. The OH bond orientation in H-H pores is more heterogeneous with a relatively weaker peak at 90°, which is consistent with Cramer et al. 99. Figs. 5 and 6 confirm that the presence of electric field influences the orientation of water molecules within the pore.