Department of Chemical Engineering


Dr. Upendra Natarajan




+91 44 22574184

Personal Website

Research Areas

Polymer science and engineering, molecular simulation, statistical thermodynamics of complex fluids, nanostructured hybrid composite materials


63 entries « 1 of 9 »


Kunche, L; Natarajan, U: Structure and dynamics of an aqueous solution containing poly-(acrylic acid) and non-ionic surfactant octaethylene glycoln-decyl ether (C10E8) aggregates and their complexes investigated by molecular dynamics simulations. Soft Matter, 17 (3), pp. 670-687, 2021, ISSN: 1744683X. (Type: Journal Article | Links | BibTeX)
Kunche, L; Natarajan, U: Structure and dynamics of aqueous solutions containing poly-(acrylic acid) and non-ionic surfactant pentaethylene glycol n-octyl ether (C8E5): A molecular simulations study. Computational Materials Science, 186 , 2021, ISSN: 09270256. (Type: Journal Article | Links | BibTeX)


Sandilya, A A; Natarajan, U; Priya, M H: Molecular View into the Cyclodextrin Cavity: Structure and Hydration. ACS Omega, 5 (40), pp. 25655-25667, 2020, ISSN: 24701343. (Type: Journal Article | Links | BibTeX)
Kurapati, R; Natarajan, U: Factors Responsible for the Aggregation of Poly(vinyl alcohol) in Aqueous Solution as Revealed by Molecular Dynamics Simulations. Industrial and Engineering Chemistry Research, 59 (37), pp. 16099-16111, 2020, ISSN: 08885885. (Type: Journal Article | Links | BibTeX)
Singh, S K; Kunche, L; Natarajan, U: Detailed Molecular Structure of Glassy Poly(phenylene oxide) (PPO) Studied by Molecular Dynamics Simulations. Journal of Macromolecular Science, Part B: Physics, 59 (12), pp. 796-820, 2020, ISSN: 00222348. (Type: Journal Article | Links | BibTeX)
Tiwari, R R; Natarajan, U: The critical organic modifier aliphatic tail length for the formation of poly(methyl methacrylate)-montmorillonite nanocomposites. Polymer Engineering and Science, 60 (7), pp. 1604-1617, 2020, ISSN: 00323888. (Type: Journal Article | Links | BibTeX)
Kumar, Y; Gupta, A K; Natarajan, U: Conformational and intermolecular structure of stereoregular isomers of poly(acrylic acid) (PAA) and Na+-poly(acrylate) polyelectrolyte (Na+-PAA) in dilute aqueous solution: a molecular dynamics simulation study. Molecular Simulation, 46 (18), pp. 1483-1499, 2020, ISSN: 08927022. (Type: Journal Article | Links | BibTeX)
63 entries « 1 of 9 »