Dielectric properties of confined water

Date: 31 October 2019

Venue: UAntwerp, Campus Groenenborger, G.U.241 - Groenenborgerlaan 171 - 2020 Antwerpen (route: UAntwerpen, Campus Groenenborger)

Time: 4:00 PM - 5:00 PM

Short description: CMT lecture presented by Dr Mehdi Neek-Amal (Shahid Rajaee University, Iran)

The dielectric constant of materials has three main contributions: i) electronic, ii) ionic, and iii) dipolar. The dipolar contribution can be found using  molecular dynamics simulations (MDS) or Monte Carlo simulations (MCS). In the past few years, MDS or MCS were used to examine water's unique properties employing a variety of classical force fields under both normal and critical conditions. We performed MDS  to simulate water confined between graphene or h-BN layers. We calculate the parallel component of the  dielectric constant of confined water as a function of the channel size.

Contact email: lucian.covaci@uantwerpen.be

Link: http://cmt.uantwerpen.be