Kinetic analysis of mechanochemical reaction between zinc oxide and gamma ferric oxide based on the impact energy and collision frequency of particles
Kinetic analysis of mechanochemical reaction between zinc oxide and gamma ferric oxide based on the impact energy and collision frequency of particles
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DOI：
10.1016/j.powtec.2019.04.050
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发表时间：
2019-06
影响因子：
5.2
通讯作者：
Fumie Hirosawa;T. Iwasaki;M. Iwata
中科院分区：
文献类型：
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作者：
Fumie Hirosawa;T. Iwasaki;M. Iwata
在对热化学反应进行理论分析的基础上，提出了一种利用反应粒子的动能和碰撞频率分析机械力化学反应速率的新方法。以氧化锌和三氧化二铁的混合物(磁铁矿)为模型，在行星磨机中，在不同转速下，实验测定了机械力化学反应生成铁酸锌的速率常数。基于热化学反应中分子的运动学理论，通过离散单元法(DEM)模拟颗粒和球的运动，由颗粒的速度分布确定颗粒的动能。根据分子碰撞理论，计算了粒子的碰撞频率，并与动能进行了关联。最后，反应速率常数被表示为一个伪阿累尼乌斯方程，其中包含一个频率因子和一个能量因子作为玻尔兹曼因子的替代。我们分析机械力化学反应速率的方法有助于精确控制它们的反应速率。
A new method for analyzing the rate of mechanochemical reactions using the kinetic energy and collision frequency of the reactive particles has been proposed based on the theoretical analysis of thermal chemical reactions. The rate constant of a mechanochemical reaction to form zinc ferrite through high-energy ball milling of a mixture of zinc oxide and gamma ferric oxide (maghemite) as the model mechanochemical reaction system was experimentally determined at several revolution speeds in a planetary mill. Based on the kinetic theory of molecules in a thermal chemical reaction, the kinetic energy of the particles was numerically determined from the velocity distribution of particles, which was obtained by a discrete element method (DEM) simulation of the particle and ball motion. The collision frequency of particles was also calculated and related to the kinetic energy according to the collision theory for molecules. Finally, the reaction rate constant was expressed as a pseudo-Arrhenius equation including a frequency factor and an energy factor as an alternative to the Boltzmann factor. Our method for analyzing the rate of mechanochemical reactions can contribute to precise control of their reaction rates.