Miscibility, Glass Transition Temperature and Mechanical Properties of NC/DBP Binary Systems by Molecular Dynamics

Molecular dynamics (MD) simulations were performed to research the miscibility, glass transition temperature (Tg) and mechanical properties of nitrocellulose/dibutyl phthalate (NC/DBP) binary systems. The solubility parameters (δ) of NC and DBP were calculated to predict the miscibility. NC and DBP...

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Veröffentlicht in:	Propellants, explosives, pyrotechnics explosives, pyrotechnics, 2018-06, Vol.43 (6), p.559-567
Hauptverfasser:	Lan, Guanchao, Jin, Shaohua, Li, Jing, Wang, Junying, Lu, Zhiyan, Wu, Nana, Li, Lijie, Wang, Dongxu
Format:	Artikel
Sprache:	eng
Schlagworte:	Binary systems Cellulose esters Cellulose nitrate Dibutyl phthalate Glass transition temperature Mathematical analysis MD simulation Mechanical properties Miscibility Modulus of elasticity Molecular chains Molecular dynamics NC/DBP Poisson's ratio Shear modulus Simulation Solubility parameters Temperature
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Beschreibung
Zusammenfassung:	Molecular dynamics (MD) simulations were performed to research the miscibility, glass transition temperature (Tg) and mechanical properties of nitrocellulose/dibutyl phthalate (NC/DBP) binary systems. The solubility parameters (δ) of NC and DBP were calculated to predict the miscibility. NC and DBP are miscible as a result of a small Δδ (
ISSN:	0721-3115 1521-4087
DOI:	10.1002/prep.201700290