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Simple method for reliable predicting flash points of unsaturated hydrocarbons
- 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.
- Subjects :
- chemistry.chemical_classification
Elemental composition
Work (thermodynamics)
Environmental Engineering
Health, Toxicology and Mutagenesis
Thermodynamics
Reproducibility of Results
Function (mathematics)
Pollution
Fires
Hydrocarbons
Root mean square
chemistry
Simple (abstract algebra)
Additive function
Unsaturated hydrocarbon
Flash point
Environmental Chemistry
Organic chemistry
Waste Management and Disposal
Subjects
Details
- ISSN :
- 18733336
- Volume :
- 193
- Database :
- OpenAIRE
- Journal :
- Journal of hazardous materials
- Accession number :
- edsair.doi.dedup.....4b9c84cfa1b4573ca6b27751735b2d41