Intermolecular Interaction Between Triethylene Glycol Dinitrate and Polymer Binders in the Mixed Systems

The semiempirical molecular orbital theory PM3 method was used to study the mixed system model of triethylene glycol dinitrate(TEGDN) with 6 polymer binders of poly(ethylene oxide/tetrahydrofuran)(PET), polyethylene glycol(PEG), hydroxy-terminated polybutadiene(HTPB), glycidyl azide polymer(GAP), poly(3-azidomethyl)-3-methyl-oxetane(AMMO), poly3,3-bis (azidomethyl)-oxetane(BAMO) respectively. The steady geometrical structures were obtained. Binding energies(or interaction energies) were approximately obtained after corrections for dispersion energies. As a whole, the binding energies of TEGDN with AMMO and BAMO are slightly larger than those of TEGDN with the other four polymer binders. These results provide the basic data and the theoretical guidance for the study of the compatibility between TEGDN and polymer binders.