Premium
Back Cover: Structures and Binding Energies of Nitrate Plasticizers DEGDN, TEGDN, and Nitroglycerine (Prop., Explos., Pyrotech. 2/2018)
Author(s) -
Buszek Robert J.,
Soto Denisse,
Dailey Jami M.,
Bolden Sarah,
Tall Terita L.,
Hudgens Leslie M.,
Marshall Christopher A.,
Boatz Jerry A.,
Drake Gregory W.
Publication year - 2018
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.201880204
Subject(s) - plasticizer , miscibility , dimer , hydrogen bond , triethylene glycol , chemistry , alkyl , diethylene glycol , water dimer , polymer chemistry , materials science , organic chemistry , polymer , molecule , ethylene glycol
The back cover picture shows computed molecular electrostatic potentials (top left) and selected heterogeneous dimer interactions (top right) of nitrate plasticizer ingredients nitroglycerine (NG), diethylene glycol dinitrate (DEGDN), and triethylene glycol dinitrate (TEGDN), used as a qualitative assessment of the expected degree of miscibility between these ingredients in propellant formulations. The general similarity in the binding energies of homogenous and heterogeneous dimers, highlighted by a network of hydrogen bonds between alkyl hydrogens and the ether or nitrate oxygen atoms, suggests these plasticizers should be miscible. Predicted infrared vibrational spectra of the TEGDN‐TEGDN, DEGDN‐DEGDN, and TEGDN‐DEGDN dimers are in good qualitative agreement with the corresponding experimental spectra of TEDGN, DEGDN, and their 1:1 mixture (bottom left). Further details are presented in the Short Communication by Buszek et al. on page 115 ff.