Nitrogen-rich heterocyclic energetic compounds(NRHECs)and their salts have witnessed widespread synthesis in recent years.The substantial energy-density content within these compounds can lead to potentially dangerous...Nitrogen-rich heterocyclic energetic compounds(NRHECs)and their salts have witnessed widespread synthesis in recent years.The substantial energy-density content within these compounds can lead to potentially dangerous explosive reactions when subjected to external stimuli such as electrical discharge.Therefore,developing a reliable model for predicting their electrostatic discharge sensitivity(ESD)becomes imperative.This study proposes a novel and straightforward model based on the presence of specific groups(-NH_(2) or-NH-,-N=N^(+)-O^(-)and-NNO_(2),-ONO_(2) or-NO_(2))under certain conditions to assess the ESD of NRHECs and their salts,employing interpretable structural parameters.Utilizing a comprehensive dataset comprising 54 ESD measurements of NRHECs and their salts,divided into 49/5 training/test sets,the model achieves promising results.The Root Mean Square Error(RMSE),Mean Absolute Error(MAE),and Maximum Error for the training set are reported as 0.16 J,0.12 J,and 0.5 J,respectively.Notably,the ratios RMSE(training)/RMSE(test),MAE(training)/MAE(test),and Max Error(training)/Max Error(test)are all greater than 1.0,indicating the robust predictive capabilities of the model.The presented model demonstrates its efficacy in providing a reliable assessment of ESD for the targeted NRHECs and their salts,without the need for intricate computer codes or expert involvement.展开更多
Subject Code:F05With the support by the State Key Laboratory of Explosion Science and Technology,the research team led by Prof.Yang Li(杨利)and Prof.Wang Bo(王博)of Beijing Institute of Technology,applied MOFderived p...Subject Code:F05With the support by the State Key Laboratory of Explosion Science and Technology,the research team led by Prof.Yang Li(杨利)and Prof.Wang Bo(王博)of Beijing Institute of Technology,applied MOFderived porous carbon materials with well-distributed metal source in the in-situ synthesis of primary explosive(MOFT-CA),which was published in Advanced Materials(2016,28:5837—5843).展开更多
Due to its extremely low electrostatic sensitivity,copper azide primary explosive is greatly limited in practical applications.In this study,a composite film with Cu-MOF in-situ growth on carbon nanofilm was prepared ...Due to its extremely low electrostatic sensitivity,copper azide primary explosive is greatly limited in practical applications.In this study,a composite film with Cu-MOF in-situ growth on carbon nanofilm was prepared by electrospinning and solvothermal methods,and CNF@Cu-N3film with electrostatic safety was obtained by carbonization and azide later.Its electrostatic sensitivity(E50)was greatly increased from 0.05 mJ of raw materials to 4.06 mJ,and still maintained a good detonation performance which could successfully detonate the CL-20 secondary explosive.This is mainly due to the synergistic effect of the carbon film and the MOF structure,which greatly improves the conductivity of the entire system and the uniform distribution of copper particles,providing a new preparation strategy for metal azide film that is suitable for the micro-initiator device.展开更多
文摘Nitrogen-rich heterocyclic energetic compounds(NRHECs)and their salts have witnessed widespread synthesis in recent years.The substantial energy-density content within these compounds can lead to potentially dangerous explosive reactions when subjected to external stimuli such as electrical discharge.Therefore,developing a reliable model for predicting their electrostatic discharge sensitivity(ESD)becomes imperative.This study proposes a novel and straightforward model based on the presence of specific groups(-NH_(2) or-NH-,-N=N^(+)-O^(-)and-NNO_(2),-ONO_(2) or-NO_(2))under certain conditions to assess the ESD of NRHECs and their salts,employing interpretable structural parameters.Utilizing a comprehensive dataset comprising 54 ESD measurements of NRHECs and their salts,divided into 49/5 training/test sets,the model achieves promising results.The Root Mean Square Error(RMSE),Mean Absolute Error(MAE),and Maximum Error for the training set are reported as 0.16 J,0.12 J,and 0.5 J,respectively.Notably,the ratios RMSE(training)/RMSE(test),MAE(training)/MAE(test),and Max Error(training)/Max Error(test)are all greater than 1.0,indicating the robust predictive capabilities of the model.The presented model demonstrates its efficacy in providing a reliable assessment of ESD for the targeted NRHECs and their salts,without the need for intricate computer codes or expert involvement.
文摘Subject Code:F05With the support by the State Key Laboratory of Explosion Science and Technology,the research team led by Prof.Yang Li(杨利)and Prof.Wang Bo(王博)of Beijing Institute of Technology,applied MOFderived porous carbon materials with well-distributed metal source in the in-situ synthesis of primary explosive(MOFT-CA),which was published in Advanced Materials(2016,28:5837—5843).
基金financial support from the National Natural Science Foundation of China(Grant No.12102051)the State Key Laboratory of Explosion Science and Technology(Grant No.QNKT2022-04)。
文摘Due to its extremely low electrostatic sensitivity,copper azide primary explosive is greatly limited in practical applications.In this study,a composite film with Cu-MOF in-situ growth on carbon nanofilm was prepared by electrospinning and solvothermal methods,and CNF@Cu-N3film with electrostatic safety was obtained by carbonization and azide later.Its electrostatic sensitivity(E50)was greatly increased from 0.05 mJ of raw materials to 4.06 mJ,and still maintained a good detonation performance which could successfully detonate the CL-20 secondary explosive.This is mainly due to the synergistic effect of the carbon film and the MOF structure,which greatly improves the conductivity of the entire system and the uniform distribution of copper particles,providing a new preparation strategy for metal azide film that is suitable for the micro-initiator device.