发明名称 |
System and method for generating and/or screening potential metal-organic frameworks |
摘要 |
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. |
申请公布号 |
US8900352(B2) |
申请公布日期 |
2014.12.02 |
申请号 |
US201213543283 |
申请日期 |
2012.07.06 |
申请人 |
Northwestern University |
发明人 |
Wilmer Christopher E.;Leaf Michael;Snurr Randall Q.;Farha Omar K.;Hupp Joseph T. |
分类号 |
B01D53/04;C07F3/06;B01J20/22;F17C11/00;G01N33/20;C09K3/00;C07F1/08;B01D53/02 |
主分类号 |
B01D53/04 |
代理机构 |
The Marbury Law Group PLLC |
代理人 |
The Marbury Law Group PLLC |
主权项 |
1. A metal organic framework (MOF) comprising a polymeric crystalline structure of a Cu2 metal component, a ligand component of a formulaand optionally a solvent. |
地址 |
Evanston IL US |