Nanoscale self-assembly in confined geometries

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The development of nanomaterials have been progressing rapidly in recent years. An example of these new materials consists of nanoparticles such as fullerene confined in a nanotube, and ordered phases have been observed in these systems.  Such self-ordering phenomena may be key to their unique electrical and optical properties, which are now being exploited in biomedical applications and sensor technologies.  To facilitate the development of these nanomaterials and to realize their commercial potential, we need a better knowledge of their phase behaviour. The primary objectives of this research are (i) to develop a fundamental understanding of nanoscale self-assembly in charged confinements, and (ii) to explore novel applications of these systems, particularly in environmental engineering.  Monte Carlo and molecular dynamics simulation will be used to study (i) the effects of various parameters, such as confinement geometry and particle size and charge asymmetry, on the structural properties of confined particles, and (ii) surfactant self-assembly in confinement.  In addition, density functional theory will be applied to analyze interparticle and particle-confinement interactions.  In the proposed experimental program, micellar solubilization of organics and surfactant adsorption in porous media will be studied using a sand-packed column, and a systematic study of the effects of surfactant molecular structure and solution conditions will also be conducted. This research will also explore the use of submicron particles in the solidification/stabilization of organic contaminants. In particular, we will study the efficacy of these particles as an organics adsorbent in cement matrices by measuring the contaminant leaching rate.  The results of this research are expected to contribute to our fundamental understanding of confined nanoparticles and surfactant solutions, particularly their self-assembling behaviour.  More importantly, the enhanced knowledge of these systems will prove to be valuable to nanomaterial research and development. In addition, the study of confined nanoparticles would also contribute to our knowledge of their environmental impact, which has become a growing concern in recent years.