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Jayant K. Singh, PhD (Buffalo University - SUNY)

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Category: Chemical Engineering
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Associate Professor

Research Interests: Thermodynamics, Selective adsorption and separation, Energy storage materials, Wetting transition, Self assembly and crystallization at nanoscale. 
Ph: +91-512-259- 6141
Email: jayantks[AT]iitk.ac.in
Website: http://home.iitk.ac.in/~jayantks
Our focus is to predict the structure, stability and dynamics of various fluids and their mixtures. In particular our interest is to apply and develop molecular simulation methodologies for bulk and confined fluids. To understand the phenomena at interfaces (for example, effect of reactive polymer on the interface adhesion of two immiscible polymers, orientation of solute particles at interface of associating fluids, water-air phase behavior under hydrophobic/hydrophilic surfaces etc) of pure and mixtures of fluids, we apply and develop methodologies within the framework of Molecular Dynamics, Monte Carlo Techniques, Dissipative Particle Dynamics and Brownian Dynamics. In this regard we have recently developed methods for estimating virial coefficient, free energy, pressure and interfacial tension.