A SIMPLE CORRELATION FOR PREDICTION OF AUTOIGNITION TEMPERATURE OF VARIOUS CLASSES OF HYDROCARBONS

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KESHAVARZ MOHAMMAD HOSSEIN; GHARAGHEIZI FARHAD; GHANBARZADEH MAJID

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Paper Information

Journal: JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS) Year:2013 | Volume:10 | Issue:3 Page(s): 545-557

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Title

A SIMPLE CORRELATION FOR PREDICTION OF AUTOIGNITION TEMPERATURE OF VARIOUS CLASSES OF HYDROCARBONS

Author(s)

KESHAVARZ MOHAMMAD HOSSEIN | GHARAGHEIZI FARHAD | GHANBARZADEH MAJID

Keywords

AUTOIGNITION

HYDROCARBON

CORRELATION

MOLECULAR STRUCTURE

SAFETY

Abstract

A new reliable simple model is presented for estimating the autoignition temperatures (AITs) of different classes of hydrocarbons including alkanes, alkenes, cycloalkanes, cycloalkenes, alkynes, and aromatics. For various categories of hydrocarbons with general formula Ca1Ha2, the new correlation can be expressed as:
AIT=647+33.33a1 −20.79a2 +58.20F SH+81.03F BH
where two functions F SH and F BH are related to size and branches of different classes of hydrocarbons, respectively. The proposed simple model can predict the AIT of any complex hydrocarbons through the knowledge of their molecular structures. The novel correlation is derived and tested for a large number of hydrocarbons including 274-compound database, which is the largest dataset with respect to previous works. It is shown that the estimated results of the new method have a lower root mean square deviation of AIT as compared to three of the best available predictive methods.

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APA: Copy

KESHAVARZ, MOHAMMAD HOSSEIN, GHARAGHEIZI, FARHAD, & GHANBARZADEH, MAJID. (2013). A SIMPLE CORRELATION FOR PREDICTION OF AUTOIGNITION TEMPERATURE OF VARIOUS CLASSES OF HYDROCARBONS. JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS), 10(3), 545-557. SID. https://sid.ir/paper/283013/en

Vancouver: Copy

KESHAVARZ MOHAMMAD HOSSEIN, GHARAGHEIZI FARHAD, GHANBARZADEH MAJID. A SIMPLE CORRELATION FOR PREDICTION OF AUTOIGNITION TEMPERATURE OF VARIOUS CLASSES OF HYDROCARBONS. JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS)[Internet]. 2013;10(3):545-557. Available from: https://sid.ir/paper/283013/en

IEEE: Copy

MOHAMMAD HOSSEIN KESHAVARZ, FARHAD GHARAGHEIZI, and MAJID GHANBARZADEH, “A SIMPLE CORRELATION FOR PREDICTION OF AUTOIGNITION TEMPERATURE OF VARIOUS CLASSES OF HYDROCARBONS,” JOURNAL OF THE IRANIAN CHEMICAL SOCIETY(JICS), vol. 10, no. 3, pp. 545–557, 2013, [Online]. Available: https://sid.ir/paper/283013/en

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