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


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Kurapati, R; Natarajan, U: Tacticity and Ionization Effects on Adsorption Behavior of Poly(acrylic acid) and Poly(methacrylic acid) at the CCl4-H2O Interface Revealed by MD Simulations. Industrial and Engineering Chemistry Research, 61 (44), pp. 16500-16516, 2022, ISSN: 08885885. (Type: Journal Article | Links | BibTeX)
Kurapati, R; Natarajan, U: New insights into adsorption structure and hydration of polymer at oil-water interface obtained by molecular dynamics simulations: Isotactic poly(methacrylic acid). Polymer, 260 , 2022, ISSN: 00323861. (Type: Journal Article | Links | BibTeX)
Yerrayya, A; Natarajan, U; Vinu, R: Mechanistic Kinetic Analysis of Fast Pyrolysis of Vanillin to Primary Phenols. Frontiers in Energy Research, 10 , 2022, ISSN: 2296598X. (Type: Journal Article | Links | BibTeX)


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)
Pachpinde, S; Natarajan, U: Conformations, inter-molecular structure and hydrogen bond dynamics of neutral and cationic poly(vinyl amine) in aqueous solution. Molecular Simulation, 47 (16), pp. 1299-1312, 2021, ISSN: 08927022. (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)
75 entries « 2 of 11 »