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Engineering nanoparticle size and shape: Multiscale modeling, simulation and applications

Nanoparticles show new and interesting properties different from bulk materials due to their extremely small size (diameter), large specific surface area and spatial anisotropy. It is thus critical to understand the variables that control its synthesis, leading to a desired application. Control of mean nanoparticle size, particle size distribution and specially, anisotropic particle shapes is the first step in many of these applications, involving enhanced adsorption and reaction rates.

Heat and mass transfer during drying processes form slurry-drops in turbulent flows: modeling and experiments

Drying of drops is also a multi-step process, involving surface evaporation and transfer of moisture from the bulk to the surface, and the transfer of heat from the ambient to the drop. The drop size and morphology depend on the bulk transport and surface drying, and the enhancement of convective transport processes due to turbulent fluctuations.

All-iron redox flow battery

The project will focus on the development of an all-iron redox flow battery, particularly employing non-aqueous electrolytes. Although all-vanadium redox flow batteries (VRFBs) have been successfully developed and commercialized, their widespread deployment is constrained by resource availability and cost, especially in the Indian context. In this regard, iron-based redox flow batteries present a promising and more sustainable alternative. However, several challenges remain for iron-based systems.

Investigating the Underlying Unity of Chemical and Electrochemical Processes

It has been reasonably established that catalytic chemical oxidation and electrochemical oxidation are not fundamentally different or unrelated processes. Rather, they appear to be different manifestations of the same underlying electrochemical mechanism. In this context, the project aims to develop a more unified framework for comparing chemical and electrochemical oxidation pathways, building on the work conducted by previous students.

Investigations on electrochemical CO2 reduction to formate/other C1/C2 chemicals

This is an experimental research project centered on the electrochemical reduction of carbon dioxide (CO₂) into formate or other high-value chemical products (1,2). The work will explore the design, synthesis, and application of metal and alloy-based catalysts, with a particular emphasis on their integration into gas diffusion electrodes (GDEs). One of the features would be to investigate the effect of gas composition on the products.

High-capacity Prussian blue cathodes for Zn ion battery

Recent investigations in my laboratory suggest that Prussian Blue, particularly copper Prussian Blue analogues, can serve as effective cathode hosts for a dual ion–zinc battery system. These materials are attractive due to their open framework structure, tunable composition, and ability to accommodate multivalent ions, making them promising candidates for next-generation energy storage devices.

Molecular Dynamics of Intrinsically Disordered Proteins: From Cellular Function to Disease

Overview

Most proteins fold into a rigid shape to do their job. However, a fascinating class called Intrinsically Disordered Proteins (IDPs) are completely flexible and shape-shifting. Because they lack a fixed structure, they are essential for controlling key cellular processes. But this same flexibility can also backfire—when these proteins misfold, they can clump together and cause severe human diseases.

Distributed control of interacting systems

Distributed control has emerged as an effective strategy to achieve optimal control of large scale interacting networks. This project focusses on the following objectives:

1. Develop graph-theoretical contributions for synthesizing distributed architectures for advanced control
2. Validate the architectures via dynamic simulations
3. Experimentally verify and validate the theoretical contributions on benchmark systems like quadruple tank system.

Decarbonization through electrification

This project focusses on opportunities for decarbonization of chemical industry through electrification. Both direct and indirect electrification routes will be pursued. Specific objectives of the project include:

1. Analyze the impact of electrification on optimal design and operation of chemical systems.
2. Pursue electrification of conventional systems via direct/indirect modes.
3. Address optimal design and control challenge associated with electrification.