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Jayant K. Singh
PhD (SUNY Buffalo)
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Email: jayantks[AT]iitk.ac.in
Office Phone: 0512-259-6141
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Professor, Department of Chemical Engineering
Specialization
- Material modeling and simulation
- Adsorption and separation
- Force-field generation
- Thermodynamics
- Molecular simulation
Research Interest
- Energy storage
- Heavy metal removal
- Wetting transition
- Anti-Ice surface design
- Adsorption and segregation of nanoparticles
- Multi-scale modeling of micro/nano devices
- Selective adsorption and separation
- CO2 adsorption and separation
- Phase segregation of granular materials
- Coarse-grain model development
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Education
- PhD, Chemical and BiologicalEngineering,UB, SUNY at Buffalo, 2004
- M.S., Computer Science and Engineering, UB, SUNY at Buffalo, 2002
- B.Tech, Indian Institute of Technology, Kanpur, 1997
Website(s)
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Cummings PT, Dotcherty H, Cristopher C, and Singh JK, Phase transition in nanoconfined fluids: The evidence from theory and simulations. (Perspective/Cover Article), American Institute of Chemical Engineers Journal, 56,842-848, 2010.
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Singh SK, Saha A and Singh JK, A Molecular Simulation Study of Vapor-Liquid Critical Properties of a Simple Fluid in Attractive Slit Pores: Crossover from 3D to 2D, J. Physical Chemistry B, 114, 4283-4292, 2010.
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Singh JK and Muller-Plathe F, On the characterization of crystallization and ice adhesion on smooth and rough surfaces using molecular dynamics Applied Physics Letter, 104, 021603, 2014
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Singh SK, Sinha A, Deo G, and Singh JK, Vapor-liquid phase coexistence, critical properties and surface tension of confined alkanes, Journal of Physical Chemistry C, 113, 7170-7181, 2009.
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Singh JK and Kwak SK, Surface tension and vapour-liquid phase coexistence of confined square-well fluid , Journal of Chemical Physics, 126, 024702:1-8, 2007.
Technology Developed
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Sharma AK, Singh JK and Verma N, Preparation of activated carbon fibers/carbon nanofibers dispersed PVA nanocomposite material for lithium ion electrolyte battery separator (US patent No: -IN-839267-01-IN-REG, Filed 2012)
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Generic Monte Carlo software for molecular system
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Department of Atomic Energy BRNS Young Scientist Award, 2006.
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DST BOYSCAST Fellowship, 2009.
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Indian National Academy of Engineering (INAE) Young Engineer Award, 2009.
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Amar Dye Chem Award of IIChE, 2010.
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Alexander von Humboldt Research Fellowship, 2012.
Office
FA-B201 Department of Chemical Labs addresses: NL II 202 IIT Kanpur, Kanpur 208016
Office Phone: 0512-259-6141 (O)
Labs phone: 0512-259-7017
Email: jayantks[AT]iitk.ac.in
Molecular Simulation, Adsorption and separation, nanoparticle
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