Recent advances for prediction of electric spark and shock sensitivities of organic compounds containing energetic functional groups to assess reliable models

Abstract

For organic compounds containing energetic groups, electric spark (electrostatic or electrostatic discharge) and shock sensitivities can initiate their decomposition process in chemical industries and applications. Electrostatic charges often accumulate in bulk explosives and equipment during handling and processing procedures. They may provide hazardous explosion due to tribocharging. Since more reliable experimental methods have been developed in recent years for measurements of these sensitivities, some reliable methods have also been introduced for their predictions. This work reviews the recent models for prediction of electric spark sensitivity of some classes of organic and ionic liquid energetic compounds as well as shock sensitivity. A novel easy to handle and user-friendly computer code is also introduced to predict electric spark and shock sensitivities by suitable and reliable predictive methods for some classes of high explosives including polynitro arene and nitramine compounds. The computer code has been checked for some newly reported energetic compounds, where their experimental data were available, which provide reliable predictions.