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Simple method for reliable predicting flash points of unsaturated hydrocarbons

Authors :
Majid Ghanbarzadeh
Mohammad Hossein Keshavarz
Source :
Journal of hazardous materials. 193
Publication Year :
2011

Abstract

This work introduces a simple method for prediction of the flash point of different classes of unsaturated hydrocarbons including alkenes, alkynes and aromatics. Elemental composition is used as a core function that can be revised for some compounds by a correcting function. The predicted flash points for a data set of 173 unsaturated hydrocarbons are in good agreement with the measured values such that the root mean square (rms) error is 9 K. The estimated flash points for 76 furthers compounds have been compared with two new group additivity methods, where these methods can be applied, that the new method gives a lower rms value. It is shown that the new model can easily be used for any unsaturated hydrocarbons with complex molecular structures.

Details

ISSN :
18733336
Volume :
193
Database :
OpenAIRE
Journal :
Journal of hazardous materials
Accession number :
edsair.doi.dedup.....4b9c84cfa1b4573ca6b27751735b2d41