Surface Science

The phase behavior of connected hard and soft particles.

A surprising new development in materials science and chemical engineering is the finding that mixtures of hard (colloidal), and soft (polymeric, or micellar) particles can self organize in length scale much larger than the diameter of either species.  In this project we explore the behavior of connected hard- and soft particles.  An elementary knowledge of coding is sufficient.

Proposing Faculty
Research Area
  • Biomaterials
  • Colloids
  • Molecular Simulations
  • Nano-composites
  • Nanoparticles
  • Polymer Physics
  • Statistical Themodynamics
  • Surface Science
Swati Bhattacharya

Theory for liquids at interfaces

Thin films and interfaces have become very important areas in modern materials science.  This project involves the development of a theory for interfacial liquids.

Proposing Faculty
Research Area
  • Molecular Simulations
  • Statistical Themodynamics
  • Surface Science
  • Thin films

Understanding Weathering of Roads

Formation of pot-holes on roads is a very common site in India during the monsoon. The applied asphalt layer on rocks (construction aggregates) de-laminates due to intercalation of water.The project is aimed at understanding this de-lamination process using simulations and experiments.

For further details, contact me.

Proposing Faculty
Research Area
  • Adsorption
  • Coatings
  • Colloids
  • Molecular Simulations
  • Nano-composites
  • Nanoparticles
  • Polymer Physics
  • Separations
  • Statistical Themodynamics
  • Surface Science
  • Surfactants
  • Thin films

Simulaition study of Enhance Oil Recovery

In the secondary and tertiary phase of oil recovery, the crude oil in direct contact with mineral surface needs to be displaced using external medium, mostly water. The mechanism of replacement is governed by the structural and energetic behaviour of interfacial water versus hydrocarbon oil at the mineral surface. This project is aimed at understanding the interfacial behaviour of crude oil-water at mineral interface. The obtained understanding will be used to enhance the oil recovery.

For further information, contact me.

Proposing Faculty
Research Area
  • Adsorption
  • Coatings
  • Colloids
  • Energy Integration
  • Molecular Simulations
  • Nano-composites
  • Nanoparticles
  • Polymer Physics
  • Porous Media
  • Rheology
  • Separations
  • Statistical Themodynamics
  • Surface Science
  • Surfactants
  • Thin films

Structure and Dynamics of Interfacial Water

Water is one of the most abundant, ubiquitous and essential material to sustain all biological life on earth. Most of the water exists in large bodies (bulk quantities) in the ocean, river and lakes. However, in many industrial and scientifically relevant conditions, water is associated with other surfaces. Understanding its structure and dynamics at molecular length-scale is useful in catalysis,corrosion, adsorption and atmospheric sciences. 

For further information contact me.

 

 

Proposing Faculty
Research Area
  • Adsorption
  • Aerosols
  • Biomaterials
  • Catalysis
  • Climate Change
  • Coatings
  • Colloids
  • Molecular Simulations
  • Nano-composites
  • Nanoparticles
  • Pollution
  • Rheology
  • Separations
  • Statistical Themodynamics
  • Surface Science
  • Thin films

Mechanisms for failure of lithium ion battery

Lithium ion batteries are nowadays used with a number of electronics gadgets. Extending their application to electric vehicles is problematic due to the rapid loss in capacity in these batteries. The goal is to investigate mechanisms that lead to the detoriation in battery performance primarily using computer simulations and comparing with experimental results obtained in our group.

See https://sites.google.com/view/abhijitchatterjee/home

 

Proposing Faculty
Research Area
  • Adsorption
  • Catalysis
  • Molecular Simulations
  • Multiphase Reaction
  • Nanoparticles
  • Renewable Resources
  • Surface Science

Theoretical investigation of catalytic activity of metal surfaces

Recently metal alloys have generated significant amount of interest because of their remarkable catalytic properties. The reason for the enhanced catalytic properties is the subject of active research. Understanding the role played by the underlying factors could help in the search for new catalyst materials which are more efficient, more stable and lower in cost than traditional catalysts. The goal of this work is to use a combination of theoretical methods to shed light into the factors which could affect the reaction mechanisms.  read more »

Proposing Faculty
Research Area
  • Adsorption
  • Catalysis
  • Green Engineering
  • Molecular Simulations
  • Statistical Themodynamics
  • Surface Science

Elasticity Relationships for Filled Elastomers

Filled elastomers or filled rubbers have found
extensive uses in industry. The fillers provide advantageous properties over
unfilled systems, leading to various applications. One important property that
bears investigation is the stress-strain relationship of the elastomers and its
relationship to the primary molecular architecture. Experimental data and
theoretical developments have been presented earlier. The current investigation
aims toward a systematic study of the objective relationship between molecular  read more »

Proposing Faculty
Research Area
  • Molecular Simulations
  • Polymer Physics
  • Statistical Themodynamics
  • Surface Science

Design and synthesis studies of porous materials

Please contact me if you are interested in this area. The project is
compulational base and would involve lots of programming and running
simulation softwares. The skills required are; a) good basics in
transport phenomena, b) basic (primariy level of) understanding in
interfacial science and c) good programming skills.

Proposing Faculty
Research Area
  • Coatings
  • Colloids
  • Molecular Simulations
  • Nano-composites
  • Nanoparticles
  • Pollution
  • Reaction Engineering
  • Statistical Themodynamics
  • Surface Science
  • Thin films