Dr. Sandip Khan
 
sandip khan  
Dr. Sandip Khan
Asst. Professor
Chemical and Biochemical Engineering
Ph.D (IITKanpur), MTech (JU), BTech(HIT)
Ph: +91-612-302 8282
skhan[*AT]iitp.ac.in
Personal Webpage : https://sites.google.com/view/sandip-khan/home
Research Areas/Areas of Interest :
  • Molecular Modelling and Simulation, Statistical Thermodynamics, Equilibrium, Dynamic and Interfacial Properties of Complex fluids, Development of Novel Materials like super-hydrophobic, super-oleophobic, anti-fouling, anti-icing surfaces etc.; Self-Assembled Monolayer in application of chemical sensor, Thermo-physical properties of actinides compounds in application of nuclear fuel.
Other Interests :  
Courses taught at IITP :
  • CB501: Molecular Modeling and Simulation
  • CB304: Chemical Process Modeling and Simulation
  • CB308: Process Control and Instrumentation
  • CB405: Process Control Lab
  • CB304: Chemical Process Simulation Lab
  • CB303: Mass Transfer-II
  • CB203: Fluid Mechanics
No. of PhD Students : 3
Professional Experience :
  • Assistant professor at the Department of Chemical Engineering, NIT-Rourkela from July, 2015 to Dec,2015.
  • Visiting faculty at the Department of Chemical Engineering, MNNIT-Allahabad, Allahabad from Jan 23, 2015 to May 31, 2015.
  • Project Scientist at the Department of Chemical Engineering, IIT Kanpur, Kanpur from 1st September 2014 to 21st January, 2015.
  • Post Doctoral Researcher at the Department of Chemical and Bio-Molecular Engineering, University of Notre Dame, Notre Dame, Indiana, USA, from October 2012 to July 2014.
Awards & Honours :
  • Early Career Research Award (2019)
  • Bharat Vikas Award (2019)
Member of Professional bodies :  
Books : Book Chapters:
  1. Khan S and Singh JK, Molecular simulation of wetting transitions on novel materials in molecular modeling for the design of novel chemicals and materials, Edited by B. Rai, CRC Press (2012) Print ISBN: 978-1-4398-4078-8, eBook ISBN: 978-1-4398-4079-5
  2. Tarak K. Patra, Sandip Khan, Rajat Srivastava and Jayant K. Singh, Understanding Wetting Transition using Molecular Simulation in Nanoscale and Microscale Phenomena: Fundamentals and Application, Springer (2015).
Publications :
  1. Sanchari Bhattacharya, Devarghya Chakraborty, Sandip Khan, Wetting Behavior of Aqueous 1-Alkyl-3-Methylimidazolium Tetrafluoroborate {[Cn MIM][BF4 ] (n = 2, 4, 6)} on Graphite Surface, Chemical Engineering Science (2020)
  2. Sanchari Bhattacharya, S Khan, The wetting Behavior of Aqueous Imidazolium Based Ionic Liquids: A Molecular Dynamics Study, PCCP (2020)
  3. Sanchari Bhattacharya, S Khan, Effect of Alkyl chain length on the Wetting behavior of Ionic Liquid: A Molecular Dynamic Study, Fluid Phase Equilibria (2019)
  4. Shah, Jindal; Marin-Rimoldi, Eliseo; Mullen, Ryan; Keene, Brian; Khan, Sandip; Paluch, Andrew; Rai, Neeraj; Romanielo, Lucienne; Rosch, Thomas; Maginn, Edward, Cassandra: An Open Source Monte Carlo Package for Molecular Simulation, Journal of computational chemistry (2017).
  5. Khan S and Singh JK, Wetting transition of nanodroplets water on textured surfaces: A Molecular Dynamic Study, Molecular Simulation, 40, 6, 458 (2014)
  6. Bhandary D, Khan S and Singh JK, Strucure and Dynamics of n-Alkanol Monolayers on the Mica Surface, Journal of Physical Chemistry C 118, 13, 6809 (2014)
  7. Metya A K, Khan S, Singh JK, Wetting transition of water-alcohal droplet on textured surfaces, Journal of Physical Chemistry C 118, 8, 4113 (2014)
  8. De S, Boda A, Ali SM,Tulishetti S, Khan S and Singh JK, Microhydration to bulk hydration of Sr2+ metal ion: DFT and molecular dynamics study, Journal of Molecular Liquids, 172, 110, (2012)
  9. Khan S, Bhandary D, Singh JK, Phase transition of multiple sites associating fluids, Molecular Physics, 110, 1241 (2012)
  10. Khan S and Singh JK, Surface phase transition of associating fluids on functionalized surface, J. Phys. Chem. C 115, 17861 (2011)
  11. Singh SK, Khan S, Jana S and Singh JK, vapour-liquid phase equilibria of square-well fluids in patterned slit pores, Mol. Sim. 37, 350 (2011)
  12. Dutta RC, Khan S and Singh JK, Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study, Fluid Phase Equil. 302,310 (2011)
  13. Khan S and Singh JK, Prewetting transitions of one site associating fluids J. Chem. Phys. 132, 144501(2010)
Presentations :
  1. Sanchari Bhattacharya and Sandip Khan, Effect of Alkyl chain length on the Wetting behavior of Aqeous Ionic Liquid, sysposium on complex fluid and interfaces, IIT Kanpur, 21st Feb to 23rd Feb (2020)
  2. Sanchari Bhattacharya and Sandip Khan, The Wetting Behavior of Imidazolium Based Ionic Liquids using Molecular Dynamics Simulation, sysposium on complex fluid and interfaces, IIT Kanpur, 21st Feb to 23rd Feb (2020)
  3. Sanchari Bhattacharya and Sandip Khan, Molecular Dynamic Study on Wettability of Ionic liquid on Smooth and Rough Surface, International Conference on Molecular Simulation, South Korea, 3rd Nov to 6th Nov (2019)
  4. Study of Wetting Behavior of Imidazolium Based Ionic Liquids on graphite surface Using Molecular Dynamics Simulations, Sanchari Bhattacharjee, Sandip khan, 27th Conference on Molten Salts and Ionic Liquids – EuCheMSIL, 7th to 12th Oct, 2018, Lisbon, Portugal.
  5. Nanoconfined Ionic Liquid using Molecular Dynamics, Sanchari Bhattacharjee, Sandip khan, Chemference, 3rd-4th Dec, 2016, IIT Gandhinagar
  6. Thermo physical properties of urania-ceria solid solutions: A Monte Carlo Study Sandip Khan, Sanchari Bhattacharjee, Neeraj Rai, Edward J. Maginn, 15th Asian conference on solid state ionics, November 27-30, 2016, IIT Patna.
  7. Bhandary D, Khan S, Singh JK, Diffusion of n-Alkanol with in Self-Assembled Monolayer on Mica surface: A Molecular Dynamic Study, AIChE Annual Meeting, San Francisco, USA, Nov 3-8, 2013 (Poster presentation)
  8. Metya A, Khan S, Singh JK, Wetting transition of ethanol-water droplet on smooth and pillared surfaces: A Molecular Dynamic Study, AIChE Annual Meeting, San Francisco, USA, Nov 3-8, 2013 (Oral presentation)
  9. Khan S, Singh JK, Estimation of free energy of water droplet during transition from Cassie State to Wenzel state : A molecular dynamic study, AIChE Annual Meeting, Minneapolis, Minneasota, USA, Oct 16-21, 2011 (Oral presentation)
  10. Mitra S, Ali SK. M, Khan S, Singh JK, Solvation of Sr2+ metal ion in different solvents: DFT and MD study, DAE Solid State Physics Symposium 2010, Manipal University, Karnatak, Dec 26 -30, 2010 (Poster presentation)
  11. Mitra S, Ali SK. M, Khan S, Singh JK, Solvation of Sr2+ metal ion in different solvents: DFT and MD study, Theoretical Chemistry Symposium 2010, IIT Kanpur, Dec 8-12, 2010 (Poster presentation)
  12. Khan S, Singh JK, Phase transitions of associating molecules near active surfaces, Reach Symposium, IIT Kanpur, Oct 10-12, 2010 (Poster presentation)
  13. Khan S, Singh JK, Self assembled monolayer of n-alkanols on mica surface, Chemference 2010, IIT Kanpur, July 13-14, 2010 (Oral presentation)
  14. Khan S, Singh JK, Self assembled monolayer of n-alkanols on mica surface: A molecular dynamic study, Eight Liblice 2010, Brno, Czech Republic, June 13-18, 2010 (Poster presentation)
  15. Dutta RC, Khan S, Singh JK, Wetting transition of water-alcohol mixture on a texture surface, PPEPPD 2010, Suzhou, China, May 16-21, 2010 (Poster Presentation)
  16. Khan S, Singh JK, Phase behavior of associating fluids in contact with a solid surface, AIChE Annual Meeting, Gaylord Opryland Resort & Convention Center, Nashville, Tennessee, USA, Nov 8-13,2009 (Oral Presentation)
  17. Khan S, Singh JK, Wetting transition and boundary tension of dimer forming associating fluids, APT-2009, Hotel Ashok, New Delhi, Sept 14-16, 2009 (Oral Presentation)