department of chemical engineering

1
department of chemical engineering  
Novel Porous Materials for Adsorption
Applications
Computational Design and Experimental
Investigations
Krista S. Walton
Tim and Sharon Taylor Assistant
Professor Department of Chemical
Engineering Kansas State University, Manhattan, KS
2
Overview of Research Program

• Design and synthesis of
• multifunctional porous materials
• Adsorption separations
• Gas storage
• Catalysis
• Chemical sensing

Driving Goal Develop the ability to design
novel materials with molecule-specific properties
for adsorption applications
3
Designing Metal-Organic Frameworks
4
Metal-Organic Frameworks (MOFs)
Figure from O. M. Yaghi et al. Nature 2003, 423,
705.
5
Molecular Tinker Toys
Which pieces should we choose and how should we
assemble them?
6
Research Methods
A Combined Approach
Functional Materials for Adsorption Applications
Materials Design and Synthesis
Adsorption Experiments
Molecular Modeling
7
Cu-BTC (HKUST-1)
Chui, S. S. Y. et al. Science 1999, 5405,
1148-1150.
Cu-BTC (HKUST-1)
Infinite 3-D interconnected network of pores
8
Adsorption Separations
Funding National Science Foundation
Porous material
Gas Mixture CO2 CH4
Pure CH4
9
Reactive Adsorption and Catalytic Activity
10
CWA Defense
Reactive adsorption and air purification
science.howstuffworks.com
Funding Army Research Office Edgewood
Chemical Biological Center
americanairworks.com
11
Methods and Capabilities

• Materials synthesis
• Adsorption equilibrium measurement
• Pure, mixtures, water
• Characterization
• BET surface area analysis
• Molecular modeling
• Monte Carlo, molecular dynamics

12
Adsorption Measurement Gravimetric Method
13
Adsorption Measurement Volumetric Method
14
Other Interests

• Novel/unusual applications for porous materials
• Optical properties, conductivity, etc.
• Biomedical applications, e.g., NO storage and
  release, delivery of Ag for antibacterial use

15
Contact Information

• Krista S. Walton
• Assistant Prof.
• 1017 Durland Hall
• Ph 785-532-4316
• kwalton_at_ksu.edu
• www.che.ksu.edu/faculty/walton