A diverse collection of 14 metal-organic frameworks (MOFs) was screened for CO(2) capture from flue gas using a combined experimental and modeling approach. Adsorption measurements are reported for the screened MOFs at room temperature up to 1 bar. These data are used to validate a generalized strategy for molecular modeling of CO(2) and other small molecules in MOFs. MOFs possessing a high density of open metal sites are found to adsorb significant amounts of CO(2) even at low pressure. An excellent correlation is found between the heat of adsorption and the amount of CO(2) adsorbed below 1 bar. Molecular modeling can aid in selection of adsorbents for CO(2) capture from flue gas by screening a large number of MOFs.

Monodisperse silica particles (SiPs) of diameter between 100 and 1500 nm were surfacemodified in a mixture of ethanol/water/ammonia with a newly designed triethoxysilane having an atom transfer radical polymerization (ATRP) initiating site, (2-bromo-2-methyl)propionyloxyhexyltriethoxysilane. The surface-initiated ATRP of methyl methacrylate (MMA) mediated by a copper complex was carried out with the initiator-fixed SiPs in the presence of a "sacrificial" (free) initiator. The polymerization proceeded in a living manner in all examined cases, producing SiPs coated with well-defined PMMA of a target molecular weight up to 480K with a graft density as high as 0.65 chains/nm 2 . These hybrid particles had an exceptionally good dispersibility in organic solvents. Transmission electron microscopic and atomic force microscopic observations of their monolayers prepared at the air-water interface revealed that they formed an ordered 2-dimensional lattice extending throughout the monolayer.