Morphology prediction of 5,5′-bistetrazole-1,1′-diolate (BTO) crystal in solvents with different models using molecular dynamics simulation
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Crystal Growth"
DOI: 10.1016/j.jcrysgro.2020.125843
Abstract: Abstract For explaining in detail the influence of solvents on the morphology of 5,5′-bistetrazole-1,1′-diolate (BTO) crystal, molecular dynamics (MD) methods were used to simulate solution-crystal interface interactions, modified attachment energy (AE) model and occupancy model… read more here.
Keywords: molecular dynamics; bto; morphology; diolate bto ... See more keywords
Synthesis, crystal structure and thermal behavior of magnesium 5,5′-bistetrazole-1,1′-diolate hexahydrate complex
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Energetic Materials"
DOI: 10.1080/07370652.2020.1762801
Abstract: ABSTRACT A new energetic green burning rate catalyst, magnesium 5,5′‒bistetrazole‒1,1′‒diolate hexahydrate complex ([Mg(BTO)(H2O)6], 1) was synthesized based on 5,5′‒bistetrazole‒1,1′‒diolate dehydrate (BTO, 2) by the metathesis reaction, and it was characterized by FTIR spectroscopy, elemental analysis… read more here.
Keywords: magnesium; diolate hexahydrate; bistetrazole diolate; magnesium bistetrazole ... See more keywords