A simple and reliable method for prediction of flash point of alcohols based on their elemental composition and structural parameters
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- 作者：Mohammad Hossein Keshavarza ; mhkeshavarz@mut-es.ac.ir" class="auth_mail" title="E-mail the corresponding author ; keshavarz7@gmail.com" class="auth_mail" title="E-mail the corresponding author ; Mohammad Jafaria ; jafariemamzadeh@gmail.com" class="auth_mail" title="E-mail the corresponding author ; Mohammad Kamalvandb ; Akram Karamia ; Zahra Keshavarzc ; Ahmad Zamania ; Saeedeh Rajaeed
- 关键词：Flash point ; Alcohol ; Correlation ; Molecular structure ; Safety ; Phenol derivative
- 刊名：Process Safety and Environmental Protection
- 出版年：2016
- 出版时间：July 2016
- 年：2016
- 卷：102
- 期：Complete
- 页码：1-8
- 全文大小：595 K
文摘
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A new approach was proposed for predicting the flash point of alcohols.
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A large data set of alcohols containing 929 data points was used.
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The new model is based on elemental composition, hydrogen bonding, and some fragments.
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Different validation methods prove high reliability of the new method.