Department of Chemical Engineering
IIT Madras

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Selected Publications

  • U. Natarajan, K. Handique, K.C. Khilar, A. Mehra, J. Bellare, Ultrafine metal particle formation in reverse micellar systems: Effects of intermicellar exchange on the formation of particles, Langmuir, 12, 2670 (1996)

  • U. Natarajan, G. Tanaka, W.L. Mattice, Atomistic simulations of the surfaces of thin films of random copolymers, J. Computer Aided Materials Design., 4, 193 (1997)

  • U. Natarajan, S. Misra, W.L. Mattice, Atomistic simulations of the polymer-polymer interface: Interfacial energy and work of adhesion, Computational & Theoretical Polymer Science, 8, 323 (1998)

  • M.S. Sulatha, S. Purushotham, U. Natarajan "RMMC Simulations of the Chain Properties of Polyester Homopolymers from 1,4-Cyclohxylenedimethanol and 2,2,4,4-tetramethyl-1,3-Cyclobutanediol" Polymer 43/23, 6297-6308 (2002).

  • M.S. Sulatha, S. Sivaram, U. Natarajan "Optical Anisotropy of Structurally Modified Polycarbonates having Cyclohexylidene and Methyl Substituents Using the Rotational Isomeric State Method" Macromolecules 36, 2944-2955 (2003).

  • A.S. Ijantkar, U. Natarajan "Atomistic Simulations of the Structure and Thermodynamic Properties of Poly(1,2-Vinyl-butadiene) Surfaces" Polymer 45(4), 1373-1381 (2004).

    • Conference presentations & Invited Talks (international)

  • U. Natarajan, Atomistic simulations of structure and thermodynamics of polymer thin films, Invited talk, Polymer Modeling Minisymposium, at Dept. of Materials, ETH (Swiss Federal Inst.), Zurich (1997)

  • D. Shah, I.A. Bitsanis, U. Natarajan, E. Hackett, E.P. Giannelis, Polystyrene nanocomposites: Molecular dynamics simulations of polystyrene and polystyrene-polyisoprene block copolymer nanocomposites, MRS Spring Meeting Proceedings, Symposium T, Vol. 733E, San Francisco, USA (2002)

  • M.S. Sulatha, U. Natarajan, S. Sivaram, Single chain optical anisotropy of polymers using rotational isomeric state theory: Application and general formalism for structurally modified polycarbonates, 4th National symposium in Chemistry (CRSI), 1st-3rd Feb., NCL, Pune, India (2002).

  • U. Natarajan, P. Saindane, P.R. Rajamohanan, S. Ganapathy, Dynamics in intercalated poly(methyl methacrylate) -clay nanocomposites probed by 1H and 13C CPMAS relaxation solid-state NMR spectroscopy, Special symposium on recent developments in NMR methodology & National symposium on magnetic resonance (NMRS 2003), 3rd-6th Feb., IISc Bangalore, India (2003)

  • A.S. Ijantkar, M.S. Sulatha, U. Natarajan, Conformational analysis, rotational isomeric state (RIS) models and chain configurational properties of polyesters and polycarbonates containing cyclohexylene and cyclobutylene linkages in the backbone, International seminar on advances in polymer technology, 16th-17th Jan., CUSAT, Kochi, India (2004).

  • A.S. Ijantkar, U. Natarajan, Atomistic modeling of amorphous polybutadiene thin films, International seminar on advances in polymer technology, 16th-17th Jan., CUSAT, Kochi, India (2004).

  • R. Aluru, U. Natarajan, Effect of organoclay and clay loading on the structure and thermal properties of several polystyrene (PS) and high-impact polystyrene (HIPS) nanocomposites, International seminar on advances in polymer technology, 16th-17th Jan., CUSAT, Kochi, India (2004).

  • U. Natarajan, Conformational behavior and optical properties of polyesters and polycarbonates as influenced by chemical structure: Detailed studies using atomistic models, Invited lecture, Dept. of Chem. Engg., The University of Texas, Austin, TX, USA (2004).

  • R.R. Tiwari, U. Natarajan, Preparation and characterization of new nanocomposites by dispersion of clays into poly(phenylene oxide) (PPO) amorphous thermoplastic polymer, 2nd IUPAC International symposium on Macro-and Supermolecular Architectures and Materials (MAM-04): Functional and Nano-systems, 13th-17th June, Missoula, Montana, USA (2004).

  • U. Natarajan, R. Pasricha, R. Gonnade, From the nanometer scale to the micron scale: Quantitative investigation of the hierarchial dispersion structure, spatial heterogeneity and morphology in polyester-organosilicate nanocomposites by a combination of polarized light optical microscopy (PLOM) and transmission electron microscopy, 2nd IUPAC International symposium on Macro-and Supermolecular Architectures and Materials (MAM-04): Functional and Nano-systems, 13th-17th June, Missoula, Montana, USA (2004).

  • M.S. Sulatha, U. Natarajan, Molecular simulations of the orientational behavior and birefringence of amorphous polycarbonates under uniaxial tensile deformation, 20th Annual meeting of the Polymer Processing Society (PPS-20), 20th-24th June, Akron, Ohio, USA (2004).

  • R. Aluru, R.R. Tiwari, U. Natarajan, The effect of organic amine structure, grafting density, layered silicate and processing conditions on structure, thermal and mechanical properties of several new acrylonitrile-styrene-butadiene (ABS)-Clay nanocomposites, 20th Annual meeting of the Polymer Processing Society (PPS-20), 20th-24th June, Akron, Ohio, USA (2004).

  • R. Aluru, U. Natarajan, High-Impact-Polystyrene (HIPS)-Clay nanocomposites: Effect of organic amine structure and grafting density on nanocomposite formation, thermal properties and mechanical properties, 20th Annual meeting of the Polymer Processing Society (PPS-20), 20th-24th June, Akron, Ohio, USA (2004).

  • R. Patel, U. Natarajan, New nematic liquid crystalline polymer-layered silicate nanocomposites by melt processing: Nanoscale dispersion structure and thermal properties of poly(ethylene terephthalate-co-oxybenzoate) hybrids with organically modified montmorillonites, 20th Annual meeting of the Polymer Processing Society (PPS-20), 20th-24th June, Akron, Ohio, USA (2004).

  • D.C. Shukla, U. Natarajan, Preparation, structure, thermal and mechanical properties of new Poly(oxymethylene)-Clay nanocomposites by melt processing: Effect of silicate type, size and organic modification on the hybrid properties, 20th Annual meeting of the Polymer Processing Society (PPS-20), 20th-24th June, Akron, Ohio, USA (2004).

  • U. Natarajan, Fundamental and applications driven computational chemistry & molecular modeling of polymers, Invited lecture, The Proctor & Gamble Co., Miami Valley Laboratories, Cincinnati, USA, (2004).

  • M.S. Sulatha, U. Natarajan, Optical properties of organic molecules, bisphenyls, bisphenol carbonates, polymer chain molecules and amorphous bulk polycarbonates by fully atomistic molecular simulations, International conference on electroactive polymers: Materials and devices (ICEP 2004), 1st-5th Nov., Dalhousie, India (2004)

  • R. Patel, U. Natarajan, Nematic liquid crystalline polymer-layered silicate nanocomposites by melt processing: Filler dispersion structure and thermal properties of poly(ethylene terephthalate-co-oxybenzoate) hybrids with organically modified montmorillonites, International conference on electroactive polymers: Materials and devices (ICEP 2004), 1st-5th Nov., Dalhousie, India (2004).

  • M.S. Sulatha, U. Natarajan, Optical properties of organic moieties and polymer chain molecules by molecular simulations: structure-property understanding in a series of bisphenyls and substituted polycarbonates, Photonics 2004, 7th International conference on optoelectronics, fiber optics and photonics, 8th –11th Dec., Kochi, India (2004)

  • M.S. Sulatha, U. Natarajan, Molecular modeling of the strain induced segmental orientation behavior and optical birefringence of polymers in the amorphous condensed state, Photonics 2004, 7th International conference on optoelectronics, fiber optics and photonics, 8th –11th Dec., Kochi, India (2004).

  • M.S. Sulatha, U. Natarajan, Molecular simulations study of the orientational behavior of chemically different glassy polycarbonates and novel computational method for calculating birefringence of amorphous polymers under uniaxial tensile deformation, MACRO 2004 International Conference on Polymers for Advanced Technologies & 8th National Conference of the Society of Polymer Science, India, 15th-17th Dec., Thiruvananthapuram, India (2004).

  • R. Karyappa, U. Natarajan, Monte Carlo studied of chain properties in solution of homo and copolymers containing styrene, acrylonitrile and acrylates, MACRO 2004 International Conference on Polymers for Advanced Technologies & 8th National Conference of the Society of Polymer Science, India, 15th-17th Dec., Thiruvananthapuram, India (2004).

  • A.S. Ijantkar, M.S. Sulatha, U. Natarajan, Conformational analysis, RIS models and modeling chain properties of substituted homopolycarbonates and aliphatic-aromatic copolycarbonates derived from 2,2,4,4-tetramethyl-1,3-cyclobutylene linkages, MACRO 2004 International Conference on Polymers for Advanced Technologies & 8th National Conference of the Society of Polymer Science, India, 15th-17th Dec., Thiruvananthapuram, India (2004).

  • R. Patel, U. Natarajan, Preparation and characterization of new semi-aromatic thermotropic liquid crystalline polymer-clay nanocomposites by melt processing: Nanoscale dispersion structure and thermal properties of poly(ethylene terephthalate-co-oxybezoate) hybrids with organically modified montmorillonites, MACRO 2004 International Conference on Polymers for Advanced Technologies & 8th National Conference of the Society of Polymer Science, India, 15th-17th Dec., Thiruvananthapuram, India (2004).

  • R. Patel, U. Natarajan, New poly(phenylene sulfide) (PPS)-organosilicate nanocomposites by in-situ polymerization using different synthesis strategies: Characterization of structure and thermal properties, MACRO 2004 International Conference on Polymers for Advanced Technologies & 8th National Conference of the Society of Polymer Science, India, 15th-17th Dec., Thiruvananthapuram, India (2004).

  • R. R. Tiwari, U. Natarajan, Preparation, characterization and mechanical properties of SAN/PMMA (polymer blend)-Organically modified clay intercalated nanocomposites, MACRO 2004 International Conference on Polymers for Advanced Technologies & 8th National Conference of the Society of Polymer Science, India, 15th-17th Dec., Thiruvananthapuram, India (2004).

  • U. Natarajan, Conformation and configuration dependent physical properties of polymers as influenced by chemical structure: simulations of chains and condensed phase using statistical mechanics and atomistic models, Invited talk, DST-NSF Indo-US Workshop on Collaborations and Networking in Materials, Materials 2020, NCL, Pune, India, 19th –21st Dec. (2004)

  • U. Natarajan, N. Poddar, Competitive colloidal adsorption and micellization of a model polyelectrolyte diblock copolymer in selective solvent: Theoretical model combining scaling and lattice mean field approaches, Invited Talk, IUPAC International Symposium on Ionic Polymerization (IP2005), 23rd-28th Oct., Goa, India (2005)

  • U. Natarajan, Polymer-Clay organic-inorganic nanohybrid composites: Current status of understanding of the effect of interface modification on structure, dynamics and bulk mechanical properties, Invited Talk, 4th ISAMPE National Conference on Composites (INCCOM-IV), 9th-10th Dec., Coimbatore, India (2005)

  • U. Natarajan, Computational chemistry and molecular modeling of polymer physical properties, Invited Talk, POLYMER 2006, 10th-12th Feb., IACS Kolkata, India (2006)

  • U. Natarajan, , Invited Talk, Materials Research Society of India Annual Meeting, MRSI-AGM-2006, Lucknow, 13th-15th Feb., Lucknow, India (2006)

  • U. Natarajan, , Invited Talk, Nanostructured polymers for biomedical applications, Invited Talk, National Conference on Polymers in Medical Applications (Materials, Products and Processes) Nov. 20-21, Coimbatore, India (2006)

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