Dr. Sudhir Kumar Singh


Associate Professor


Thermodynamics, Molecular Modeling, Properties of Fluids at Nanoscale



Contact No.: 0175-239-3344


Chemical Engineering, Thermodynamic properties of nanoconfined fluids, Phase transitions, Molecular modelling and simulation, Nanoporous materials.

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Sudhir Kumar Singh is Associate Professor of Chemical Engineering at Thapar Institute of Engineering & Technology Patiala since June 1, 2012. He has worked as project semester coordinator in chemical engineering department for the year 2014 and 2015. He is also working as UG coordinator since September 2016. Sudhir has also worked as a DAE-ICT scientist at the Institute of Chemical Technology, Mumbai, India, for a year before joining the Thapar Institute of Engineering & Technology, Patiala. Sudhir has got his B. Tech. in Chemical Engineering from the Institute of Engineering and Technology, CSJM University Kanpur, in 2003 and M. Tech. in Chemical Technology with specialization in oil technology from Harcourt Butler Technological Institute, Kanpur, in 2005. He obtained Doctor's degree (Ph.D.) in Chemical Engineering from the Indian Institute of Technology Kanpur, India in 2011. Sudhir researches focus on the computational nanoscience and biosensors. He has published 13 peer reviewed research articles and contributed a book chapter published by CRC press, Taylor and Francis Group, U.K. His current H-index is 6 with 292 citations. He has also presented 18 papers in various national and international conferences and chaired technical sessions. Sudhir also acts as reviewer of various SCI journal papers, such as Fluid Phase Equilibra and Chemical Engineering Communications.

Research Projects

  1. Tailoring of Nanostructure for Reversible Hydrogen Storage: Molecular Simulation as a Guiding Tool. Funding Agency: UGC-BSR Start-Up Grant (Rs.6.0 Lac); (Status: Completed).
  2. Development of Water Resistant Plaster from Gypsum: Funding Agency: SEED Grant, Thapar Institute of Engineering & Technology, Patiala (Rs. 1.0 Lac); (Status: Completed).

Membership of Professional Institutions, Associations, Societies

Life time member of Indian Institute of Chemical Engineers (IIChE)

Publications and other Research Outputs


  1. S.K. Singh, Critical temperature estimation of bulk and confined atomic fluid using vapour-liquid interfacial free energy, Molecular Simulation, (2017), DOI: 10.1080/08927022.2017.1355554.
  2. S.K. Singh, Corresponding states vapour–liquid phase equilibria of confined square–well fluid, Molecular Simulation, (2017), Vol-43, No.-12, P-914.
  3. S.K. Singh,Effect of surface-screening parameter of the Yukawa potential model on vapour–liquid phase coexistence and critical-point properties of confined Yukawa fluid, Molecular Simulation, (2016), Vol-42, No-5, P-413.
  4. S.K. Singh and J.K. Singh , A comparative study of critical temperature estimation of atomic fluid and chain molecules using fourth-order Binder cumulant and simplified scaling laws, Molecular Simulation , (2013), Vol-39, P-154.
  5. S.K. Singh and J.K. Singh, Effect of pore morphology on vapor-liquid phase transition and crossover behavior of critical properties from 3D to 2D, Fluid Phase Equilibria, (2011), Vol-300, P-182.
  6. S.K. Singh, S. Khan, S. Jana and J.K. Singh, Vapor-liquid phase equilibria of simple fluids confined in patterned slit pores, Molecular Simulation, (2011), Vol-37, P-350.
  7. S.K. Singh, J.K. Singh, S.K. Kwak and G. Deo, Phase transition and crossover behavior of colloidal fluids under confinement, Chemical Physics Letters, (2010), Vol-494, P-182.
  8. C. Ravikumar, S.K.Singh and R. Bandyopadhyaya, Formation of nanoparticles of water- soluble molecules: Experiments and Mechanism,Journal of Physical Chemistry C, (2010), Vol-114, P-8806.
  9. S.K. Singh, A.K. Saha and J.K. Singh, A molecular simulation study of vapor-liquid critical properties of a simple fluid in attractive slit pores: Cross over from 3D to 2D,Journal of Physical Chemistry B, (2010), Vol-114, P-4283.
  10. S.K. Singh, A.Sinha, G. Deo and J.K. Singh, Vapor-liquid phase coexistence, critical properties and Surface tension of confined alkanes, Journal of Physical Chemistry C, (2009), Vol-113, P-7170.
  11. S.K.Singh, M. Bajpai and V.K. Tyagi, Amine Oxides: A Review, Journal of Oleo Science, (2006), Vol-55, P-99.


  1. S.K. Singh, J.K. Singh and G. Deo, Effect of surface characteristics and pore size of nano confinements on the thermophysical properties of natural gas components, Int. Journal of Chemical Sciences, (2007), Vol-5, P-1745
  2. S.K. Singh and M. Bajpai, Effect of solvent on the synthesis of linear alkyl benzene sulphonamidoamine oxide, Journal of Lipid Science and Technology, (2006), Vol-38, P-6.

Awards and Honours

  • Chaired a technical session in a national conference on “Advances in Chemical and Environmental Engineering (ACEE’16) held at National Institute of Technology, Jalandhar during April 22-23, 2016.
  • Received PIS award in the teaching category from Thapar Institute of Engineering & Technology Patiala in the year 2015.
  • Convener of the Workshop on Molecular Modeling ‘ICTMM-2012’, held during January 28 to February 01, 2012 at the Institute of Chemical Technology (ICT) Mumbai.
  • Student Session Chair for a session on ‘Bio Process Engineering’ in a national level conference ‘ChEmference 2010’, organized by research scholars of the department of chemical engineering IIT Kanpur, held on July 13 – 14, 2010.
  • Best oral presentation award in the session ‘Perspective and Challenges in Chemical Engineering’ in the ChEmference-2008 held during July 5 to 6, at IIT Kanpur.
  • Best paper presentation award in the ‘nanotechnology’ session, in National Conference on Frontiers in Chemical Engineering (NCFCE- 2007) held during December 12 to 14, at IIT- Guwahati.
  • Graduate Research Scholarship (JRF & SRF) MHRD, Government of India.
  • Integrated scholarship for ‘High School’ and ‘Intermediate’ from the Government of Uttar Pradesh, India.

Description of Research Interests

The behavior of a confined fluid at nanometric scale is of interest in many areas of science and technology. Currently our researches focus on the computational nanoscience, such as phase transitions and thermodynamic properties of nanoconfined fluids, selective adsorption and separation and biosensors. Our major research interests are using the state of art molecular simulation methods to understand the properties of confined fluids in nano systems, which differ significantly from the bulk fluids. We extensively studied the crossover behavior from 3D to 2D like for a variety of fluids. The corresponding states behavior of confined fluids are also studied. Our further aim is to contribute in the development of equation of states for fluids in nanoporous materials. Our current studies would assist in the design of experiments for studying fluids in nanoconfined systems and are valuable for the improvement and development of futuristic nanoscale devices for real–world applications.