Ph.D. Scholar (Dec 2021 - Present)
Research Area Understanding properties of hydrated anion exchange membranes using molecular dynamics simulations
Area of Interest Due to the limited reserves of fossil fuels and various environmental problems, the development of clean new energy and renewable energy is an inevitable trend of energy development. Hydrogen acts as an ideal clean energy fuel that can also be used as an energy storage medium for renewable energy sources. Alkaline water electrolysis is one of the mainstream hydrogen production methods which uses Anion Exchange Membranes (AEMs) as an important component. AEMs are polymer membranes which have positively charged functional groups. It has attracted widespread attention in the past two decades due to it’s ability to use the low cost noble-metal-free electrodes and it's potential to significantly increase the current density in alkaline electrolyzers, thus reducing the overall cost of green hydrogen produced. Since experimental investigations do not provide enough clarity on structure-property relationships of AEMs such as the role of morphology on water uptake and ion conductivity, an attempt is made to use molecular simulation techniques and coarse graining methods such as Dissipative Particle Dynamics, MARTINI forcefield based Molecular Dynamics to deduce structure-property relationships and aid in designing membranes with improved performance as well as to provide insights into macroscopic variables through microscopic quantities.