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The influence of a solvent on the crystal morphology of RDX

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Author: Horst, J.H. ter · Geertman, R.M. · Heijden, A.E.D.M. van der · Rosmalen, G.M. van
Type:article
Date:1999
Institution: Prins Maurits Laboratorium TNO
Source:Journal of Crystal Growth, PART 1, 198-199, 773-779
Identifier: 235263
doi: doi:10.1016/S0022-0248(98)01157-9
Keywords: Materials · Crystal morphology · Molecular modeling · RDX · Solvent effect · Adsorption · Crystal structure · Crystallization · Mathematical models · Molecular dynamics · Morphology · Solvents · Cyclotrimethylene trinitramine · Amines

Abstract

A solvent can have a large influence on the crystal morphology. A molecular modeling technique based on the adsorption of solvent molecules on a crystal surface has been used to predict the influence of a solvent on the morphology of RDX. The predicted morphology has been compared with the experimentally found morphology of RDX crystallized from several solvents by cooling crystallization. © 1999 Elsevier Science B.V. All rights reserved.