Reliable method for prediction of the flash point of various classes of amines on the basis of some molecular moieties for safety measures in industrial processes

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• 作者：Mohammad Hossein Keshavarz ; ^{mhkeshavarz@mut-es.ac.ir} ; ^{keshavarz7@gmail.com} ; Somayeh Moradi ; Ali Reza Madram ; Hamid Reza Pouretedal ; Karim Esmailpour ; Arash Shokrolahi
• 关键词：Flash point ; Amine derivative ; Molecular moiety ; Safety
• 刊名：Journal of Loss Prevention in the Process Industries
• 出版年：2013
• 出版时间：July, 2013
• 年：2013
• 卷：26
• 期：4
• 页码：650-659
• 全文大小：3116 K

文摘

This work presents a novel, reliable and simple method of estimating the flash point of various types of flammable amines, which are important for safety measures in industrial processes. Different amines include aliphatic amines such as primary, secondary, tertiary and cyclic amines as well as aromatic amines and hetero arenes containing nitrogen heteroatom. The proposed correlation is based on the contribution of some specific molecular moieties and functional groups, which can easily be used for any types of amines. Intermolecular forces are important in the new method, which are counted by two increasing and decreasing parameters. The root mean square (rms) deviation is 18?K for different classes of amines including 133 diverse compounds. The estimated flash points have been compared with one of the best available predictive methods, which gives much lower value of the rms deviation.