Looking for breakthrough ideas for innovation challenges? Try Patsnap Eureka!

Bis(tetrazole-2-oxy-4-hydro)amine, design method, and application thereof

A design method and molecular design technology, which is applied in the cross field of energetic materials and quantum chemistry, can solve the problems of reducing thermal stability, increasing sensitivity, and the number of functional groups should not be large, and achieve excellent thermal stability.

Inactive Publication Date: 2017-04-26
NANJING INST OF TECH
View PDF0 Cites 4 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

At the same time, although the functional group can improve the energy-containing properties, it will reduce the thermal stability and increase the sensitivity. Therefore, the number of functional groups should not be too large.
In addition, whether the structure of the energetic compound is planar also has a great influence on its thermal stability and sensitivity. If the structure is planar, the conjugation effect is strong, the stability is better and the sensitivity is low.

Method used

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
View more

Image

Smart Image Click on the blue labels to locate them in the text.
Viewing Examples
Smart Image
  • Bis(tetrazole-2-oxy-4-hydro)amine, design method, and application thereof
  • Bis(tetrazole-2-oxy-4-hydro)amine, design method, and application thereof
  • Bis(tetrazole-2-oxy-4-hydro)amine, design method, and application thereof

Examples

Experimental program
Comparison scheme
Effect test

specific Embodiment approach

[0018] The present invention designs a new type of high energy density compound, bi(tetrazolium-2-oxo-4-hydrogen) amine, and optimizes its structure with density functional theory, and calculates its heat of formation, density, detonation heat, detonation velocity, Detonation pressure, bond dissociation energy, unimolecular free space and impact sensitivity. Compare with RDX and Octojin to evaluate its comprehensive performance. The specific implementation is as follows:

[0019] (1) Molecular design

[0020] First, 1-hydro-tetrazole-3-oxo was selected as the parent compound; then two 1-hydro-tetrazole-3-oxo groups were combined with an NH bridging group in the middle. The system does not contain any energetic substituents, ensuring excellent thermal stability and low sensitivity. High heat of formation and density ensure good detonation performance. Its molecular structural formula is as follows:

[0021]

[0022] (2) Structural optimization

[0023] With the help of...

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

PUM

No PUM Login to View More

Abstract

The invention belongs to the crossing field of energetic material and quantum chemistry and particularly relates to a bis(tetrazole-2-oxy-4-hydro)amine, a design method, and an application thereof. 1-hydro-tetrazole-3-oxy is employed as a mother compound and two 1-hydro-tetrazole-3-oxy compounds are combined through connection of an NH bridge group, and then through structure optimization, a planar conjugated molecule is formed; through energy containing property calculation, thermostability calculation and sensitivity calculation, comprehensive performance of the product is evaluated. The bis(tetrazole-2-oxy-4-hydro)amine has high energy and low sensitivity and can be used as a substitute of hexogen and octogen.

Description

technical field [0001] The invention belongs to the interdisciplinary field of energetic materials and quantum chemistry, and specifically relates to bi(tetrazole-2-oxo-4-hydrogen)amine and its design method and application. Background technique [0002] With the intensification of international competition, higher requirements are placed on the performance of energetic materials, and high energy density materials have emerged as the times require. For an ideal and valuable high energy density compound, it should have both advantages of high energy and low sensitivity. However, due to the contradictory characteristics of energy and sensitivity, there are very few energetic materials that meet this requirement. [0003] Energetic materials are usually composed of energetic parent compounds (such as tetrazole and tetrazine rings) and energy-rich functional groups (such as nitro, nitroamino, and azido groups). The introduction of energy-containing functional groups may improv...

Claims

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

Application Information

Patent Timeline
no application Login to View More
IPC IPC(8): C07D257/06C06B43/00
CPCC06B43/00C07D257/06
Inventor 吴琼谈玲华杭祖圣卜小海李川龙李恺李启迪李秋雅刘德麟
Owner NANJING INST OF TECH
Who we serve
  • R&D Engineer
  • R&D Manager
  • IP Professional
Why Patsnap Eureka
  • Industry Leading Data Capabilities
  • Powerful AI technology
  • Patent DNA Extraction
Social media
Patsnap Eureka Blog
Learn More
PatSnap group products

Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic, Popular Technical Reports.

© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap|About US| Contact US: help@patsnap.com