Research Interests of R. Nagarajan

My work is directed towards the complementary goals of developing molecular theories of complex systems (involving surfactants, block copolymers, colloids, proteins and enzymes) and exploiting such complex systems for applications to nanotechnology, biochemical and pharmaceutical processes, environmental problems, and formulation technologies applicable to a wide range of industry.

Theory and Computations of Properties of Complex Fluids

In the area of theory, my work addresses fundamentals of surfactants and block copolymers from a molecular perspective, with emphasis on their self-assembly behavior in a variety of solvents leading to nanoscale and sub-micron sized, thermodynamically stable, aggregates. My work is devoted to developing molecular thermodynamic theories in order to obtain a priori prediction of self-assembly properties starting from knowledge of the chemical structure of molecules involved. My previous and current work on modeling and computations address the following problems.

Modeling of Aggregation of Surfactants

Formation of micelles of nonionic, ionic and zwitterionic surfactants in water

Mixed micelles exhibiting ideal and a variety of non-ideal mixing behavior

Formation of vesicles from surfactants and surfactant mixtures

Micellization and solubilization behavior of fluorocarbon surfactants

Aggregation of novel Bola and Gemini surfactants

Modeling of Solubilization in Micellar Systems

Solubilization of hydrocarbons in micelles and mixed micelles

Selective solubilization of hydrocarbons in surfactant micelles

Kinetics of autocatalysis in micellar systems facilitated by solubilization or phase transfer

Modeling of Microemulsions

Formation of droplet and bicontinuous type microemulsions

Electrolyte, alcohol and temperature induced phase transitions in microemulsions

Modeling of Surfactant-Polymer Interactions

Surfactant aggregates-nonionic polymer interactions

Polymer-induced phases transitions in microemulsions

Solvent Effects in Surfactant Aggregation

Surfactant aggregation in polar solvents

Surfactant micellization in aqueous-organic mixed solvents

Formation of aggregates in non-polar solvents

Modeling Aggregation Behavior of Block Copolymers

Aggregation of AB, ABA, BAB and ABC type block copolymers in selective solvents

Solubilization of hydrocarbons in diblock and triblock copolymer micelles

Formation of ordered microstructures in block copolymer-oil-water systems

Formation of block copolymer micelles from mixed solvents

Formation of block copolymer micelles with glassy cores

Micellization of block copolymers in supercritical carbon dioxide

Aggregate shape transitions in block copolymer solutions

Hydration model for polyethylene oxide-water solution thermodynamics

Modeling Aggregation Behavior at Solid-Liquid Interfaces

Formation of surfactant aggregates at hydrophobic and hydrophilic solid surfaces

Adsorption of block copolymers on nanoparticles and competitive micellization

Applications Exploiting Systems Involving Complex Fluids

Applications Related to Nanomaterials

Solution synthesis of nanoparticles in colloidal media (Thesis of Mastropietro)

Use of surfactants and polymers for stabilizing nanoparticle dispersions (Thesis of Mastropietro)

Methods for extraction of nanoparticles (Thesis of Mastropietro)

Adsorption of block copolymers on nanoparticles (Project of Vorkapic)

Use of block copolymers to synthesize organic nanocolloids

Applications Related to Biochemical and Pharmaceutical Processes

Biocatalysis in non-aqueous media using reverse micelles (Theses of Gupte, Patel)

Biocatalysis in block copolymer microdomains (Thesis of Gupte)

Biocatalytic conversion of steroidal components (Thesis of Gupte)

Separation and/or concentration of proteins using microemulsions (Theses of Shaffer, Kizil)

Biosynthesis using whole cells immobilized in colloidal media (Thesis of Gupte)

Solubilization of hydrophobic molecules by surfactant micelles (Theses of Chaiko, Slocum)

Solubilization of hydrophobic substances by block copolymer aggregates (Theses of Barry, Slocum)

Use of block copolymer aggregates with glassy cores for drug delivery (Project of Nop Plucktaveesak)

Applications Related to Environment

Deinking of laser and Xerox printed paper using block copolymers (Thesis of Moon)

Enhancing paper deinking by the use of enzymes (Thesis of Li)

Use of aqueous block copolymer solutions as environmentally benign extractant solvents for product recovery in fermentation (Thesis of Perez)

Enhancing solvent power of supercritical CO₂ using block copolymers (Project of Kit–yan Chan)

Use of aqueous polymer solutions as reaction and separation media.

Other Applications

Chemical separations using surfactant and block copolymer micelles (Theses of Chaiko, Barry)

Chemical separations employing vesicles and multiple emulsion type liquid membranes (Theses of Chatterjee and Jeng)

Lung surfactants (Project of Mehta)

Surfactants in lubrication (Thesis of Ganc)

Wetting and spreading of surfactant-laden liquids (Thesis of Chan)

Enhanced oil recovery by surfactant flooding (Theses of many students)

PUBLICATIONS

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