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The formation of methane-hydrate precursors at large planar water-methane interfaces has been studied using massively parallel molecular dynamics in systems of varying size from around 10 000 to almost 7 x 10(6) molecules. This process took two distinct st ...
The nucleation mechanisms of methane hydrates are studied using well-tempered metadynamics and restrained molecular dynamics. The collective variables we used to follow the process are the methane-methane and methane-water coordination numbers, from which ...
A systematic study of the properties of high-density amorphous ice (HDA) in the presence of increasing amounts of salt is missing, especially because it is challenging to avoid ice crystallization upon cooling the pressurized liquid. In order to be able to ...
Royal Soc Chemistry2014
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Dynamic nuclear polarization surface enhanced NMR (DNP-SENS), Mossbauer spectroscopy, and computational chemistry were combined to obtain structural information on the active-site speciation in Sn-beta zeolite. This approach unambiguously shows the presenc ...
Surface-confined molecular networks can serve as templates to steer the adsorption and organization of secondary ligands, metal atoms, and clusters. Here, the incorporation of Ni atoms and clusters into open two-dimensional robust metal-organic templates s ...
Zeolite adsorbents were evaluated for potential application in post-combustion CO2 capture using a new high-throughput gas adsorption instrument capable of measuring 28 samples in parallel. Among the zeolites tested, Ca-A exhibits the highest CO2 uptake (3 ...
Electron crystallography of membrane proteins records images and diffraction patterns of frozen-hydrated two-dimensional (2D) crystals. To reconstruct the high-resolution three-dimensional (3D) structure of a membrane protein, a multitude of images of 2D c ...
Zeolites are one class of porous materials that are currently being explored for sepn. applications in the aim of reducing environmentally harmful carbon dioxide (CO2) from the combustion of fossil fuels. The several archetypical zeolites being employed or ...
Using optical sideband cooling, a micromechanical oscillator is cooled to a phonon occupancy below 10 phonons, corresponding to a probability of finding it in its quantum ground state more than 10% of the time. ...
Ieee Service Center, 445 Hoes Lane, Po Box 1331, Piscataway, Nj 08855-1331 Usa2011
Copper and silver cation-exchanged zeolite SSZ-13 present an interesting opportunity to study the mechanism of interaction of adsorbate gases, primarily hydrogen (H2), with the ion-exchange sites in zeolites as there is only one type of cation site, in con ...
