Department of Chemical Engineering

unatarajan

Dr. Upendra Natarajan


 

Professor

HSB153

unatarajan@iitm.ac.in

+91 44 22574184

Personal Website

Research Areas


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


Publication

75 entries « 1 of 11 »

2023

Kunche, L; Natarajan, U: Conformations and Solvation of Synthetic Polymers in Water by Generalized Born Implicit-Solvent Molecular Dynamics Simulations: Stereoisomers of Poly(acrylic acid) and Poly(methacrylic acid). Journal of Physical Chemistry B, 127 (5), pp. 1244-1253, 2023, ISSN: 15206106. (Type: Journal Article | Links | BibTeX)
Kumar, Y; Natarajan, U: Structure of interpolymer complex between poly(acrylic acid) and poly(ethylene oxide) in aqueous salt solution: a molecular dynamics simulation study. Molecular Simulation, 49 (8), pp. 743-757, 2023, ISSN: 08927022. (Type: Journal Article | Links | BibTeX)

2022

Pachpinde, S; HamsaPriya, M; Natarajan, U: Correction to: Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(vinyl amine): methyl, n-propyl, and iso-propyl substitutions (Journal of Molecular Modeling, (2022), 28, 6, (151), 10.1007/s00894-022-05139-2). Journal of Molecular Modeling, 28 (7), 2022, ISSN: 16102940. (Type: Journal Article | Links | BibTeX)
Pachpinde, S; HamsaPriya, M; Natarajan, U: Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(F): methyl, n-propyl, and isopropyl substitutions. Journal of Molecular Modeling, 28 (6), 2022, ISSN: 16102940. (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)
Yerrayya, A; Nikunj, A; Prashanth, P F; Chakravarthy, S R; Natarajan, U; Vinu, R: Optimization of bio-crude yield and its calorific value from hydrothermal liquefaction of bagasse using methanol as co-solvent. Energy, 244 , 2022, ISSN: 03605442. (Type: Journal Article | Links | BibTeX)
Kurapati, R; Natarajan, U: Role of Chemical Linkage in Solvation of Polyurethanes in Organic Solvents Studied by Explicit Molecular Dynamics Simulations. Industrial and Engineering Chemistry Research, 61 (45), pp. 16883-16894, 2022, ISSN: 08885885. (Type: Journal Article | Links | BibTeX)
75 entries « 1 of 11 »