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17 posts tagged Physical Chemistry
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17 posts tagged Physical Chemistry
The reactor pool at the High Flux Isotope Reactor. Primarily a research reactor, the HFIR also is used for the production of medical isotopes.
Source: oakridgelabnews’ photostream in flickr (Oak Ridge National Laboratory)
Hydrophobic Sand is made by exposing regular sand to trimethylsilanol vapor. The trimethylsilanol coating is hydrophobic and makes the sand un-wettable.
Image of 3-D, synthetic DNA-like crystals created by UCLA chemists Yaghi, Deng and colleagues.
Credit: CNSI, UCLA–Department of Energy Institute of Genomics and Proteomics
Field Ionisation (FI) and Field Desorption (FD) were pioneered by H D Beckey in the late 1960’s as ionisation techniques that offered significant advantages over then current methods. The heart of the system is an emitter that has dendrites (cf conifers/evergreens) on it which have extremely small radii on their tips. These dendrites allow very high electric field strengths to be applied to a molecule.
Source: Liquid Introduction Field Desorption Ionisation, University of Delaware.
With Ohio Supercomputer Center access, Sadhan Jana at the University of Akron simulated the equilibrium state of organization of 12 organic tie-molecules on the surface of MWCNT. The red dots represent oxygen, white represent hydrogen, and gray represent carbon atoms in tie molecules.
Source: Jana investigating the potential of carbon nanotubes for industry, Ohio Supercomputer Center.
Most classical molecular dynamics (MD) simulations employ potential functions that do not account for the effects of induced electronic polarization between atoms, instead treating atoms as simple fixed point charges. Incorporating the influence of polarization in large-scale simulations is a critical challenge in the progress toward computations of increased fidelity, providing a more realistic and accurate representation of microscopic and thermodynamic properties.
Movie (Youtube)
Source: Implementing the Drude Polarizable Force Field in NAMD, Theoretical and Computational Biophysics Group, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign.