HELLO, I'M
Samyabrata Chatterjee
Doctoral Student at the Indian Institute of Technology Kharagpur
About
MY BACKGROUND
I am Samyabrata Chatterjee. I am currently pursuing my Doctoral studies at the Indian Institute of Technology Kharagpur. Currently, I am trying to develop high-energy density supercapacitor devices. Even though there has been a lot of progress in this particular research we haven't yet come up with electrolyte-specific electrode designs. I am trying to address this by understanding the various electrolyte and electrode interactions using Molecular Dynamic Simulations.
Education
WHAT I’VE LEARNED
2020–Present
Indian Institute of Technology Kharagpur
Doctoral Studies, Department of Chemical Engineering
Experience
WHERE I’VE WORKED
July 2016–September 2016
ITC Triveni Paperboards and speciality paper division
Summer Internship
2018-2020
Indian Institute of Technology Gandhinagar
Masters in Technology, Department of Chemical Engineering
2013–2017
Heritage Institute of Technology, Kolkata
Bachelors of Technology, Department of Chemical Engineering
Research
1. Molecular investigation of the confined polyelectrolytes in electrical double layer supercapacitors
The demand for renewable energy sources is rising day by day due to the depletion of fossil fuels. As a result, there is a huge interest in high energy density (HED) and high power density (HPD) storage systems. Batteries may fulfill the criteria of HED storage elements but they fail to satisfy the HPD requirement. On the other hand, already existing electrolytic capacitors fulfill the criteria of HPD but they lack the criteria for HED. The bridging between these two storage devices is the supercapacitors. Other than satisfying the mentioned criteria they have other advantages namely, high life-cycles, short charging, and discharging rates, the ability to work at very low temperatures (‒40°C), etc.
We are trying to study how different types of patterned electrodes affect the polyelectrolyte adsorption on these electrodes. The different solvent was modeled by varying the dielectric constant of the system and the polyelectrolyte used were of different patterns. We have observed that the number of polyelectrolyte adsorption changes with different patterns and solvents. The orientation of adsorbed polyelectrolytes and the electrical double layers varies for different electrodes. The integral capacitance of systems varies depending on the type of electrolyte and the electrodes.
2. Effect of various crystal planes on water spreading dynamics
The effects of the different lattice cuts of the face-centered cubic lattice structures, namely 100, 110 and 111, have been analyzed for understanding the spreading dynamics of a nanoscale water droplet on different metal substrates. It has been studied from the results generated in a simulated environment. The studies have been extended to examine the behavior of spreading dynamics of the water droplet over different substrate with similar uses or properties namely Copper (Cu), Gold (Au), Aluminum (Al) and, Silicon (Si). The associated studies of the contact angle, diameter and the Molecular Kinetic Theory Parameters has been incorporated to get the MKT parameters for the Three Phase Contact Line friction co-efficient to quantify, understand and compare the changes in interaction, energies and spreading dynamics of the water droplet. An attempt to quantify and analyze the effect of surface properties has also been made by determining LJ interactions between the substrate and water droplet over time.
​
​
​
​
​
​
​
​
​
​
​
​
​
​
​
3. Study of diffusion properties of high entropy alloys(HEAs) using molecular dynamics simulations
HEA have been investigated in detail and certain HEA systems have been found to possess exceptionally good properties like high strength and hardness, superior corrosion resistance , good thermal stability, as well as high fracture toughness .As of now, single phase solid solution alloys like cantor alloy (CrMnCoFeNi), CrCoFeNi, CrCoNi etc. have been studied in detail, but not much is known about the properties and behavior of such alloys when present in liquid state. These properties are very important in order to understand and predict how the alloy microstructure would evolve in the solidification process.Equilibrium molecular dynamics CrMnCoFeNi (also known as cantor alloy) was studied using LAMMPS. The work focuses on calculating self-diffusion coefficients of the alloy and to study the effect of change in composition of various components of the alloy systems on the self-diffusion coefficient.
Publications
-
Molecular Insights into the Effect of Crystal Planes on Droplet Wetting
Samyabrata Chatterjee, Ashutosh Singh, and Monojit Chakraborty
Langmuir 2023 39 (13), 4789-4798
DOI: 10.1021/acs.langmuir.3c00167
Awards
Prime Minister's Research Fellow 2021 May Cycle