Colorado State University NSF-REU Summer
Program in Materials Chemistry Research:
Synthesis, Characterization, and Device Fabrication
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Branka M.
Ladanyi
For more
information, visit our group webpage...
Research in the Ladanyi group
focuses on investigating the dynamics and intermolecular structure in a variety
of molecular systems ranging from supercritical fluids to reverse micelles,
using methods of theoretical and computational chemistry. Students will learn the basics of
scientific computer programming, statistical mechanics, modeling of
intermolecular interactions and computer simulation methodology. They will apply these concepts and
methods to a research problem on the properties of water-surfactant
interfaces. The goal of this
project is to gain a molecular-level understanding of surfactant self-assembly
and of the properties of the self-assembled structures that form in systems
containing a surfactant, water and a nonpolar species (e.g. n-hexane or
isooctane). When there is an
excess of nonpolar phase, such 3-component systems form reverse micelles
(surfactant-coated water droplets) dispersed in a continuous nonpolar phase. The use of reverse micelles as
templates or nanobeakers for nanoparticle synthesis depends on their size and
shape distribution. In a given
nonpolar phase, these in turn depend on the surfactant molecular structure,
head group and counterion charges and surfactant-water interactions. The REU project will focus on water-surfactant
interactions. Molecular modeling
and molecular dynamics computer simulation will be used to construct a system
containing liquid water, a vapor phase and a surfactant layer. Several types of amphiphilic molecules
(i.e. molecules with a hydropohilic head group and a hydophobic tail) will be
used to investigate the structure and dynamics of the surfactant layer and the
properties of water in the presence of surfactant with polar and ionic head
groups.
Supported by
NSF-REU
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