Research Of Ethyl Acetate Effects On PETN Shape

Solid explosive crystal form,crystal integrity and strong acidity affect the stability of explosives.And many fried solid explosive crystal form,crystal integrity and strong acidity affect the stability of explosives.And many explosives are polymorphic,Taian is 1(alpha)and type II(beta)type.The most common type of stable crystal is PETN.With the solvent crystallization,recrystallization of PETN can needle,orthorhombic and cubic crystal,this paper intends to the computational chemistry simulation focused on the influence of additives on the crystal shape of PETN.Through the experiment verify the accuracy of simulation results.Research using computational chemistry methods,using simulation software Jeem module of material studio,established the simulation method of PETN crystal morphology,were studied and optimized.Determine the influence the morphology of stability can exist important facets.The crystal morphology of PETN was simulated under the action of additive,and it was found that the effective control of the apparent morphology of PETN crystal could be achieved by the selection of additives.