The predictions of RoseBoom2.2© without the input of any data received from experiments or composite methods

Abstract

Recent studies with the new program RoseBoom© claim it can predict reliable detonation parameters only based on the structural formula, without the need of a heat of formation or density obtained using a different method. In this study, it was investigated how big the impact on the calculated detonation parameters is, when one uses the density and heat of formation predicted by RoseBoom2.2© vs. densities and the heat of formations published with the corresponding molecules. A range of traditionally used models in terms of the sensitivity to the accuracy to the input values is tested. Furthermore, it proofs the need to agree on one software for predicting the performance of energetic materials, starting with the input of values of energetic materials. Additionally, it puts further trust into the predictions by RoseBoom© and raises awareness of the uncertainty of published performance values.