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 The
Center for Modeling and Characterization of Nanoporous Materials
at TRI/Princeton is an internationally recognized leader in
porous materials science and engineering. Nanoporous materials,
which contain pores in the size range of 0.5 to 50 nm, play
an important role in a diverse range of modern technologies.
We specialize in the adsorption of gases and vapors in porous
solids, and the absorption and spreading of liquids on fibers,
structured substrates, and porous & fibrous materials.
Our scientists have developed a wide variety of theoretical
and simulation methods and experimental techniques & protocols
for molecular design, process modeling, and characterization
of porous materials.
Research
Overview
We have
developed novel methods for the pore structure characterization
of
micro- and mesoporous materials using high-resolution N2,
Ar, Kr, and CO2 gas
adsorption measurements coupled with molecular modeling and
advanced
methods for interpretation of isotherms. The parameters we
determine include
specific surface area, pore volume, pore size distribution,
and surface properties.
The range of applications includes:
- Adsorbents
and Catalysts
- Oxides
- Silicas
& Silica Gels
- Clays
- Zeolites
- Activated
Carbons & Carbon Fibers
- Mesoporous
Molecular Sieves
- Metal-Organic
Frameworks
- Low-k
Dielectric Films
- Carbon
Nanotube Composites
- Nanofibrous
Membranes
- Paper
& Paper Coatings
- Fuel
Cell Membranes
- Natural
Geosorbents (eg Soil Particles)
- Other
Nanoporous Materials
Research
Facilities
- High-resolution
chemisorption-physisorption instrument (Autosorb 1-C) with
TRI electric thermostat and advanced TRI software for data
analysis
- Original
molecular simulation software
- Field
emission scanning electron microscope
Current
Research
Our current
research program focuses on the modeling of adsorption and
wetting,
experimental verification of the models and methods, and development
of experimental techniques to study structural properties
of porous materials.
The majority
of our projects deal with four groups of materials:
- Microporous
(carbons, zeolites) and mesoporous molecular sieves (silica,
organic-inorganic, regular structures templated on surfactant
and copolymer mesophases);
- Permselective
polyelectrolite membranes;
- Nanofibers
and fibrous substrates & membranes; and
- Soil
and clay particles.
We apply
modern methods of Monte Carlo and Molecular Dynamics simulations
and Density Functional Theory to study sorption and phase
transitions in pores of carbons, zeolites, templated mesoporous
materials and fibrous substrates, nanosegregation and transport
in polyelectrolyte membranes, and equilibrium, stability and
dynamics of thin films and contact lines on nanostructured
surfaces. These molecular modeling methods developed in our
group are validated against high-resolution experiments.
- Nanostructured
and Porous Materials
- Molecular
Modeling and Statistical Mechanics
- Interfacial
Thermodynamics and Hydrodynamics
- Adsorption
in Micro- and Mesoporous Solids
- Characterization
of Porous Solids and Rough Surfaces
- Fractals
and Disordered Systems
- Soil
Remediation
Practical
Applications
TRI’s
extensive and ground-breaking work in nanoporous materials
characterization
has allowed for the advancement of various practical research
areas. For instance,
our modeling work with permselective polyelectrolite members
can be used to develop and improve protective clothing used
in military and defense uniforms. Our nanofiber work has lent
itself to the development of biosensors for use in rapid disease
and DNA analysis. And gas adsorption studies, which determine
surface properties of micro- and mesoporous materials have
applications in fields ranging from carbon nanotubes to catalysts
to fuel cell membranes.
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