The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Apr. 21, 2015

Filed:

Jul. 06, 2012
Applicants:

Christopher E. Wilmer, Evanston, IL (US);

Michael Leaf, Evanston, IL (US);

Randall Q. Snurr, Evanston, IL (US);

Omar K. Farha, Mortongrove, IL (US);

Joseph T. Hupp, Northfield, IL (US);

Inventors:

Christopher E. Wilmer, Evanston, IL (US);

Michael Leaf, Evanston, IL (US);

Randall Q. Snurr, Evanston, IL (US);

Omar K. Farha, Mortongrove, IL (US);

Joseph T. Hupp, Northfield, IL (US);

Assignee:

Northwestern University, Evanston, IL (US);

Attorney:
Primary Examiner:
Assistant Examiner:
Int. Cl.
CPC ...
G01N 33/20 (2006.01); C40B 30/00 (2006.01); C40B 60/06 (2006.01); B01J 20/22 (2006.01); B01D 53/04 (2006.01); F17C 11/00 (2006.01); C09K 3/00 (2006.01); C07F 1/08 (2006.01); C07F 3/06 (2006.01); B01J 20/02 (2006.01); B01D 53/02 (2006.01);
U.S. Cl.
CPC ...
G01N 33/20 (2013.01); B01J 20/223 (2013.01); B01D 53/04 (2013.01); F17C 11/00 (2013.01); F17C 11/002 (2013.01); F17C 11/005 (2013.01); F17C 11/007 (2013.01); C09K 3/00 (2013.01); C07F 1/08 (2013.01); C07F 3/06 (2013.01); B01J 20/226 (2013.01); B01J 20/0211 (2013.01); B01J 20/0214 (2013.01); B01J 20/0237 (2013.01); B01J 20/0244 (2013.01); B01D 53/02 (2013.01); B01D 2253/204 (2013.01); B01D 2257/102 (2013.01); B01D 2257/7025 (2013.01); Y02C 20/20 (2013.01);
Abstract

A system and method for systematically generating potential metal-organic framework (MOFs) structures given an input library of building blocks is provided herein. One or more material properties of the potential MOFs are evaluated using computational simulations. A range of material properties (surface area, pore volume, pore size distribution, powder x-ray diffraction pattern, methane adsorption capability, and the like) can be estimated, and in doing so, illuminate unidentified structure-property relationships that may only have been recognized by taking a global view of MOF structures. In addition to identifying structure-property relationships, this systematic approach to identify the MOFs of interest is used to identify one or more MOFs that may be useful for high pressure methane storage.


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