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Itís the small stuff that mattersOak Ridge, TN | Posted on July 21st, 2009
Molecular-level reactions that produce aqueous nanoparticles ultimately aid in designing better crystals for manufacturers and new catalysts for producing alternative fuels. The PNNL-led team designed new theoretical and computational approaches to studying the nanoparticle formation. With the new approach, the team determined the rate constants, or how fast the clusters dissociated or fell apart. Next, they determined the thermodynamic stability of the clusters, and provided a streamlined approach to calculate cluster thermodynamics. Key research was done at DOE's EMSL, a national scientific user facility.
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