Dielectric properties of water in confined cylindrical, spherical, and bi-continuous nano porous regions

Dielectric constant measures the capacity to store electrical energy of a material. How the dielectric constant of water changes in nanoconfined environment is important in various energy and other technologies. The static dielectric constant of water, is investigated using molecular dynamics simulations based on various water models, including Simple Point Charge Extended and Flexible (SPC/E and SPC/Fw) and Transferable Intermolecular Potential (TIP) 3P and 4P models, under various confinement ranging from a few to several hundred nanometers in cylindrically and spherically confined cavities to obtain a polynomial dependence of dielectric properties on various degrees of confinement and temperature. Furthermore, the obtained polynomial relation is validated by generating a periodic bi-continuous nano porous region and further measurement of water dielectric properties. The obtained dielectric relation is in good agreement with previous findings and extends them further by comprehensively studying the temperature and confinement dependence with various classical water models.