典型文献
3,6-bis(2,2,2-trinitroethylnitramino)-1,2,4,5-tetrazine.Structure and energy abilities as a component of solid composite propellants
文献摘要：
The work addresses to the study of the molecular and crystal structure and properties of a new energy-intensive compound 3,6-bis(2,2,2-trinitroethylnitramino)-1,2,4,5-tetrazine(NBTAT),first obtained by the authors in 2020.NBTAT compound crystallizes in the monoclinic system,space group P2(1)/n,density at room temperature 1.939 g/cm3.The energies of crystal packing and pairwise intermolecular interactions in NBTAT and its unnitrated analogue BTAT were calculated,and their comparative analysis was carried out.The enthalpy of formation of NBTAT molecules was calculated by quantum-chemical methods using Gaussian 09,and the enthalpy of formation of NBTAT in the solid phase(618 kJ/mol)was estimated.The energy capabilities of NBTAT as an oxidizer of solid composite propellants are estimated.It is shown that in metal-free compositions NBTAT is significantly superior to ammonium perchlorate(AP),dinitramide ammonium salt(ADN),HMX,BTAT at all stages of rocket systems,and is comparable to the superdense CL-20 yielding to the latter at the lower stages and slightly winning at the upper stages.
文献关键词：
中图分类号：
作者姓名：
Anatoly G.Korepin;Natalia M.Glushakova;David B.Lempert;Anatoly I.Kazakov;Gennady V.Shilov;Denis V.Korchagin;Vadim M.Volokhov;Elena S.Amosova;Sergey M.Aldoshin
作者机构：
Institute of Problems of Chemical Physics,Ac.Semenov Avenue 1,Chernogolovka,142432,Russian Federation
文献出处：
引用格式：
[1]Anatoly G.Korepin;Natalia M.Glushakova;David B.Lempert;Anatoly I.Kazakov;Gennady V.Shilov;Denis V.Korchagin;Vadim M.Volokhov;Elena S.Amosova;Sergey M.Aldoshin-.3,6-bis(2,2,2-trinitroethylnitramino)-1,2,4,5-tetrazine.Structure and energy abilities as a component of solid composite propellants)[J].防务技术,2022(07):1148-1155
A类：
trinitroethylnitramino,tetrazine,NBTAT,unnitrated,BTAT,dinitramide,superdense
B类：
bis,Structure,energy,component,solid,composite,propellants,work,addresses,study,structure,properties,new,intensive,compound,first,obtained,by,authors,crystallizes,monoclinic,space,group,P2,density,room,temperature,cm3,energies,packing,pairwise,intermolecular,interactions,its,analogue,were,calculated,their,comparative,analysis,was,carried,out,enthalpy,formation,molecules,quantum,chemical,methods,using,Gaussian,phase,kJ,estimated,capabilities,oxidizer,are,It,shown,that,metal,free,compositions,significantly,superior,ammonium,perchlorate,AP,salt,ADN,HMX,stages,rocket,systems,comparable,CL,yielding,latter,lower,slightly,winning,upper
AB值：
0.49834
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