Computer-aided design system for energy-containing compound

Abstract

The invention discloses a system for computer-aided design of energetic compound molecules. The system is used for aided design and development of a novel energetic compound molecular structure and forecasting the detonation property of the novel energetic compound molecular structure. The system at least comprises a user input module, a file input / output module, a molecular structure conversion module, a display module, a detonation parameter predicting module and a molecular combination library generating module, wherein the user input module is used for drawing a molecular planar structure; the file input / output module can read, correct and store known file formats; the molecular structure conversion module can convert the molecular planar structure drawn by a user into a three-dimensional structure; the display module can display an opened molecular structure file or the molecular structure drawn by the user; the detonation parameter predicting module can predict the detonation parameter according to the molecular properties; and the molecular combination library generating module utilizes a combinatorial chemistry principle to generate an energetic compound molecular combination library.

Description

technical field [0001] The invention relates to a computer-aided design system, in particular to a computer-aided design system for energetic compounds. The system can assist in the design of new energetic compounds and predict their detonation performance according to the needs of energetic material developers. Background technique [0002] Since the nineteenth century, countries around the world have developed thousands of energetic compounds, but due to the lack of necessary performance prediction methods before synthesis, some of the synthesized energetic compounds were abandoned due to poor performance, and some were abandoned due to Poor stability makes it impossible to apply, and there are very few energetic compounds that are actually used in weapons and equipment; With the powerful support function of aided design, the synthesis of energetic compounds is time-consuming, labor-intensive, and has a certain degree of blindness. The above factors determine that the cur...

AI Technical Summary

Problems solved by technology

[0002] Since the nineteenth century, countries around the world have developed thousands of energetic compounds, but due to the lack of necessary performance prediction methods before synthesis, some of the synthesized energetic compounds were abandoned due to poor performance, and some were abandoned due to Poor stability makes it impossible to apply, and there are very few energetic compounds that are actually used in weapons and equipment; The powerful support function of aided design, the synthesis of energetic compounds is time-consuming and laborious, and has a certain degree of blindness

The above factors determine that the current design and development of energetic compounds lacks innovation, and it is also difficult to meet the current needs of weapons and ammunition for new energetic compounds

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