ZSM-5 pore system generated by ZEOMICS, a computational zeolite characterization tool developed at Princeton University. Sinusoidal channels (gray) intersect straight channels (blue) at cages (navy).
Researchers at Princeton University have developed computational methods for the three-dimensional characterization of microporous networks including those found in zeolites and metal-organic frameworks (MOFs).
The approach, based on graph theory, geometry, and mathematical optimization, automatically identifies portals, channels, cages, and their connectivity. Quantities of interest are computed, such as pore size distribution, accessible volume, accessible surface area, largest cavity diameter, and pore limiting diameter. Web tools are made freely available to the scientific community:
ZEOMICS (http://helios.princeton.edu/zeomics/) for zeolites and
MOFomics (http://helios.princeton.edu/mofomics/) for MOFs.
These web tools include databases of pore characterizations for popular materials and allow users to submit additional structures. Colorful three-dimensional visualizations of the pore systems are provided. For more information,please visit our web tools or contact
Professor Christodoulos A.Floudas
Department of Chemical and Biological Engineering
A325 Engineering Quad
Princeton, NJ 08544, USA
Conditions of use:
The picture is original work generated at Princeton University. Princeton possess the rights to publicly distribute the picture and they allow the InterPore society to display it on its website. They also allow the InterPore society to use the picture in other publications and presentations with appropriate attribution.