Diyala Journal For Pure Science
Scientific Refereed Journal Published By College of Science - University of Diyala
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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
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.