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.