Yapısal Olarak Değiştirilmiş HMX-DFT Çalışması

Yıl 2021, , 755 - 767, 30.09.2021

Mehmet Erman Mert

https://doi.org/10.21605/cukurovaumfd.1005554

Öz

Oktahidro-1,3,5,7-tetranitro-1,3,5,7-tetrazosin (HMX) askeri ve endüstriyel uygulamalarda yaygın olarak kullanılan nitramin türevi bir patlayıcıdır. HMX ve benzeri özelliklere sahip patlayıcılar için duyarlılık önemli bir parametredir. Duyarlılığın düşürülmesi sayesinde ısı, sıcaklık, çarpma, sürtünme ile statik elektrik deşarjı gibi çeşitli olayların oluşmasıyla meydana gelebilecek kontrolsüz patlamalar önlenebilir. Bu amaçla, çeşitli katkı maddeleri kullanmak veya patlayıcı etkide önemli bir kayıba neden olmaksızın kimyasal modifikasyonlar yapılmaktadır. HMX(C4H8N8O8) molekülünün 4 tane nitro grubu vardır. Bu çalışmada, nitro gruplarının nitrozo ve amino gruplarına dönüştürülmesiyle duyarlılığı düşürmenin mümkün olabileceği düşünülmektedir. Balistik özellikler, yani patlama hızı (D) ve patlama basıncı (P) Kamlet-Jacobs denklemleri kullanılarak incelenmiştir. Elde edilen sonuçlara göre, belirtilen moleküler modifikasyonlarla, HMX'in duyarlılığının düşürülebileceği tespit edilmiştir.

Anahtar Kelimeler

HMX (Oktojen), Patlama basıncı, Patlama hızı, Yoğunluk fonksiyonu teorisi

Structurally Modified HMX-A DFT Study

Öz

Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazosine (HMX) is a nitramine explosive derivative that widely used in military and industrial applications. The sensitivity is a significant parameter for HMX and explosives which have similar properties. By reducing the sensitivity, uncontrolled explosions that may occur due to various events such as heat, temperature, impact, friction and static electricity discharge can be prevented. For this purpose, chemical modifications are made without using various additives or causing a significant loss in explosive effect. HMX (C4H8N8O8) molecule has 4 nitro groups. In this study, it is thought that it may be possible to reduce the sensitivity by converting these nitro groups into nitroso and amino groups. Ballistic properties, ie detonation velocity (D) and detonation pressure (P), are investigated using Kamlet-Jacobs equations. According to the results, it was determined that the
sensitivity of HMX can be decreased with the specified molecular modifications.

Anahtar Kelimeler

HMX (Octogen), Detonation pressure, Detonation velocity, Density function theory

Kaynakça

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