Figure 3. Water density and velocity profiles.
(a) Water density distribution in the radial direction in the mixed, Mo only and S only pores with equivalent pore sizes (mixed, A=55.45 Å2 ; Mo only, A=56.42 Å2; S only, A=57.38 Å2) at a fixed pressure of 250 MPa. (b) Density map of water distribution in Mo only (i) and S only (ii) pores. Blue denotes a zero probability of finding a water molecule and red indicates the highest probability of observing a water molecule. (c) Axial velocity of water molecules in the radial direction for mixed, Mo only and S only nanopores.
