Theoretical studies on the thermodynamic properties and detonation properties of cyclotrimethylene trinitramine (RDX) with aluminum and boron metals.

Theoretical studies on the thermodynamic properties and detonation properties of cyclotrimethylene trinitramine (RDX) with aluminum and boron metals.

The B3LYP/6-311++G(2df,2p) density functional theory (DFT) method was used to investigate molecular geometry and thermodynamic properties of RDX and RDX derivatives containing Al and B metals. The detonation velocity (D) and detonation pressure (P), estimated by using Kamlet–Jacobs and in literature...

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Bibliographic Details
Main Authors: Nilgün Şen, Bayram YÜKSEL
Format: Article
Language:English
Published: Turkish Chemical Society 2016-10-01
Series:Journal of the Turkish Chemical Society, Section A: Chemistry
Subjects:
DFT calculations
detonation performance
aluminum and boron
RDX.
Online Access:http://dergipark.gov.tr/jotcsa/issue/27290/287301?publisher=turchemsoc

Internet

http://dergipark.gov.tr/jotcsa/issue/27290/287301?publisher=turchemsoc

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