Comparison of shaking versus baking: further understanding the energetics of a mechanochemical reaction

Abstract

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 °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.