Comparison of shaking versus baking: further understanding the energetics of a mechanochemical reaction
Abbreviated Journal Title
DISCRETE ELEMENT METHOD; DIELS-ALDER REACTIONS; DENSITY-FUNCTIONAL; THEORY; TUMBLING MILLS; FULLERENE C-60; BALL MILLS; SIMULATION; PREDICTION; SHAKER; C-120; Chemistry, Multidisciplinary
Using a mechanically driven Diels-Alder reaction we were able to characterize the chemical energetics of a SPEX 8000M mixer/mill. Our results demonstrate that the conditions produced by this type of mill are similar to those produced when performing the same reaction at 90 degrees C in solution. Discrete element models and in situ temperature logging were used to analyse the energetics of this system. These models indicate that the yields obtained using a SPEX 8000M mill are best correlated to the velocity of the media and number of non-zero force collisions.
"Comparison of shaking versus baking: further understanding the energetics of a mechanochemical reaction" (2014). Faculty Bibliography 2010s. 5825.