Modification of the integral isoconversional method to account for variation in the activation energy
Modification of the integral isoconversional method to account for variation in the activation energy
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DOI：
10.1002/1096-987x(20010130)22:2
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发表时间：
2001-01
影响因子：
3
通讯作者：
S. Vyazovkin
中科院分区：
文献类型：
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作者：
S. Vyazovkin
当活化能随转换程度发生强烈变化时，积分等转化法会对活化能产生显著的系统误差。通过使用适当地考虑激活能变化的积分技术来消除该误差。该技术是对先前提出的先进等转化率方法的改进[Vyazovkin，S.J Comput Chem 1997，18,393]。通过模拟和对一水草酸钙和硝酸铵的热分解数据的处理，说明了改进方法的应用。©2000 John Wiley&Sons，Inc.《康普特化学》22：178-183,2001
Integral isoconversional methods may give rise to noticeable systematic error in the activation energy when the latter strongly varies with the extent of conversion. This error is eliminated by using an integration technique that properly accounts for the variation in the activation energy. The technique is implemented as a modification of the earlier proposed advanced isoconversional method [Vyazovkin, S. J Comput Chem 1997, 18, 393]. The applications of the modified method are illustrated by simulations as well as by processing of data on the thermal decomposition of calcium oxalate monohydrate and ammonium nitrate. © 2000 John Wiley & Sons, Inc. J Comput Chem 22: 178–183, 2001