Developing a new method for calculating the octane number based on quantum mechanics methods
Other Title(s)
تطوير طريقة جديدة لحساب العدد الاوكتاني بالاستناد إلى طرق ميكانيك الكم
Joint Authors
Tuhi, Hammam Taha Sultan Salih al-Sayyid
Mustafa, Zayd Shihab Ahmad
Source
College of Basic Education Researches Journal
Issue
Vol. 19, Issue 1 (31 Mar. 2023), pp.835-843, 9 p.
Publisher
University of Mosul College of Basic Education
Publication Date
2023-03-31
Country of Publication
Iraq
No. of Pages
9
Main Subjects
Abstract AR
استخدم في هذه الدراسة طريقة من طرق ميكانيك الكم (طريقة الحسابات الأساسية DFT) في حساب بعض الخصائص الفيزيائية التي تؤثر على العدد الاوكتاني (ON) ثم تم ربط هذه المتغيرات المحسوبة نظريا مع بعضها البعض كمتغيرات مستقلة و مع قيم العدد الاوكتاني لمشتقات الكازولين و المحسوبة عمليا كمتغير معتمد.
أن افضل نتيجة تم الحصول عليه من خلال هذه العلاقات كانت (Total Energy, HOMO, LUMO, Torsion) و الذي كان معامل الارتباط قريب من الواحد الصحيح و قيمه الانحراف المعياري القريب من الصفر.
من خلال نتائج العلاقات تم اقتراح علاقة رياضية من خلالها تم نظريا حساب العدد الاوكتاني لمشتقات الكازولين و كان هنالك تقارب بين القيم العملية مع القيم المحسوبة نظريا مما يدل على نجاح الطريقة الحسابية المطورة.
Abstract EN
In this study, one of the quantum mechanics methods, the ab-initio method DFT, was used in calculating the number of the physical variables that affect the octane number (ON).
Then, these theoretically calculated variables were linked with each other as independent variables and with the octane number values of gasoline derivatives, which were calculated in practice as a dependent variable.
The best result obtained through these relationships was (Total Energy, HOMO, LUMO, and Torsion), where the correlation coefficient was close to the right one and the value of the standard deviation is little.
Through the results of the relations, a mathematical relationship was proposed through which the ON of gasoline derivatives was theoretically calculated, there was a convergence between the practical values with the theoretically calculated values, which indicated the success of the developed mathematical method.
American Psychological Association (APA)
Tuhi, Hammam Taha Sultan Salih al-Sayyid& Mustafa, Zayd Shihab Ahmad. 2023. Developing a new method for calculating the octane number based on quantum mechanics methods. College of Basic Education Researches Journal،Vol. 19, no. 1, pp.835-843.
https://search.emarefa.net/detail/BIM-1493486
Modern Language Association (MLA)
Tuhi, Hammam Taha Sultan Salih al-Sayyid& Mustafa, Zayd Shihab Ahmad. Developing a new method for calculating the octane number based on quantum mechanics methods. College of Basic Education Researches Journal Vol. 19, no. 1 (2023), pp.835-843.
https://search.emarefa.net/detail/BIM-1493486
American Medical Association (AMA)
Tuhi, Hammam Taha Sultan Salih al-Sayyid& Mustafa, Zayd Shihab Ahmad. Developing a new method for calculating the octane number based on quantum mechanics methods. College of Basic Education Researches Journal. 2023. Vol. 19, no. 1, pp.835-843.
https://search.emarefa.net/detail/BIM-1493486
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 842-843
Record ID
BIM-1493486