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14 posts tagged Physical Chemistry
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.
Scientists in Ohio and France have explained some strange atomic behavior, and made a discovery that could ultimately make MRI images sharper. This graphic depicts the quantum mechanical principal of super-adiabaticity, which was responsible for the behavior of atoms in some nuclear magnetic resonance experiments. If the trajectory of the atoms during an experiment were mapped on a globe, then the purpose of an adiabatic experiment is to move the atoms being studied from one point on the globe to another, slowly, and following a very carefully designed path (gray line). With super-adiabaticity, the atoms follow a different, sometimes, wildly different path (orange line), but still end up at the right destination.
Credit: Philip Grandinetti, Ohio State University.
Source, Departments Of Chemistry and Biochemistry, Ohio State University.
Theoretical dodechehedron nanoscale quasi-crystals. Source.
The Royal Swedish Academy of Sciences has decided to award the Nobel Prize in Chemistry for 2011 to
Dan Shechtman
Technion - Israel Institute of Technology, Haifa, Israel
“for the discovery of quasicrystals”
From the Press Release:
In quasicrystals, we find the fascinating mosaics of the Arabic world reproduced at the level of atoms: regular patterns that never repeat themselves. However, the configuration found in quasicrystals was considered impossible, and Dan Shechtman had to fight a fierce battle against established science. The Nobel Prize in Chemistry 2011 has fundamentally altered how chemists conceive of solid matter.
More Info:
At Nobelprize.org page
Advanced Information at nobelprize.org (pdf)
Wikipedia entry: Quasicrystal
Entry at Cornell Laboratory of Atomic and Solid State Physics
Basic Diagram of a PEMFC (Proton exchange membrane fuel cell)
Source: What is a PEM Fuel Cell Made of?, International Association for Hydrogen Energy, Oakland University