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DJPS

Diyala Journal For Pure Science

Scientific Refereed Journal Published By College of Science - University of Diyala

 

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djps.1403.445A

Diyala Journal For Pure Sciences DJPS

ISRA Impact Factor:3.715

P- ISSN:2222-8373, E-ISSN:2518-9255

Volume 14, Issue 3 , July . 2018

 

 

Theoretical Study for the Determination the Octane Number of Gasoline Derivatives

 

Faiz M. Al - Abady

 

Year: 2018, Volume: 14, Issue: 3

 

Pages: 266 - 272, DOI: http://dx.doi.org/10.24237/djps.1403.445A 

 

Language: English

 

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Abstract


 

In this study, some physical properties affecting the octane Number of gasoline derivatives were calculated using AM1 semi-experimental methods, including steric energy, heat formation, van der Waals strength, energy of the highest occupied molecular orbital energy (EHOMO), the lowest unoccupied molecular orbital energy (ELUMO), and hardness values ​​using chemical software. Thus, the statistical analysis was carried out using the SPSS program between the calculated variables and the values ​​of the practical octane number. The most important variables were found to have an effect on octane number values ​​ (high energy, steric energy, empty energy level, heat formation and spatial impedance) Was obtained in 0.974. The relative error was 7.34 and there was a good match between the values ​​of the practical octane number the calculated from this study.

 

Keywords: Octane number, AM1method, Chemoffice.

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