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

被引：98

作者：

McKissic, Kelley S. ^{[1
]}

Caruso, Jeffery T. ^{[1
]}

Blair, Richard G. ^{[2
]}

Mack, James ^{[1
]}

机构：

[1] Univ Cincinnati, Dept Chem, Cincinnati, OH 45221 USA

[2] Univ Cent Florida, NanoSci Technol Ctr, Orlando, FL 32826 USA

来源：

GREEN CHEMISTRY | 2014年 / 16卷 / 03期

基金：

美国国家科学基金会;

关键词：

DENSITY-FUNCTIONAL THEORY; DISCRETE ELEMENT METHOD; DIELS-ALDER REACTIONS; TUMBLING MILLS; BALL; SIMULATION; PREDICTION; SHAKER;

D O I：

10.1039/c3gc41496e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：1628 / 1632

页数：5

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