Distinguishing metal–organic frameworks

Distinguishing Metal–Organic Frameworks

We consider two metal-organic frameworks as identical if they share the same bond network respecting the atom types. An algorithm is presented that decides whether two metal-organic frameworks are the same. It is based on distinguishing structures by comparing a set of descriptors that is obtained from the bond network. We demonstrate our algorithm by analyzing the CoRe MOF database of DFT opti...

Recent advances in carbon dioxide capture with metalorganic frameworks

Uncontrolled massive release of the primary greenhouse gas carbon dioxide (CO2) into atmosphere from anthropogenic activities poses a big threat and adversely affects our global climate and natural environment. One promising approach to mitigate CO2 emission is carbon capture and storage (CCS), in which ideal adsorbent materials with high storage capacity and excellent adsorption selectivity ov...

Drug delivery and controlled release from biocompatible metalorganic frameworks using mechanical amorphization

We have used a family of Zr-based metal–organic frameworks (MOFs) with different functionalized (bromo, nitro and amino) and extended linkers for drug delivery. We loaded the materials with the fluorescent model molecule calcein and the anticancer drug a-cyano-4-hydroxycinnamic acid (a-CHC), and consequently performed a mechanical amorphization process to attempt to control the delivery of gues...

A thermodynamic tank model for studying the effect of higher hydrocarbons on natural gas storage in metalorganic frameworks

Metal–organic frameworks (MOFs) are promising materials for storing natural gas in vehicular applications. Evaluation of these materials has focused on adsorption of pure methane, although commercial natural gas also contains small amounts of higher hydrocarbons such as ethane and propane, which adsorb more strongly than methane. There is, thus, a possibility that these higher hydrocarbons will...

Reply to Smith: On distinguishing between models, hypotheses, and theoretical frameworks.