System and method for generating and/or screening potential metal-organic frameworks
US9012368B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Jul 6, 2012 |
| Grant date | Apr 21, 2015 |
| Priority date | — |
| Expiry date | Jul 6, 2032 |
Classification
- Technology area (CPC Y)Emerging Cross-Sectional Technologies
- CPC primaryY02P20/156
- WIPO fieldChemical engineering
- WIPO sectorChemistry
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.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.