Mathematica is a powerful program for computing both numeric and algebraic calculations as well as graphing two- and three-dimensional curves and surfaces. It is used increasingly in many fields of science now such as physics, engineering, chemistry and even biology because of the fast interaction of mathematics with almost the fields of science nowadays. Synthesis of Cyclotetramethylene Tetramine through the action of nitrating mixture formed of ammonium nitrate and fuming nitric acid on hexamine in presence of acetic acid, acetic anhydride and p-formaldehyde has been proven. The pathway is relatively long and Hexamine Dinitrate and Dinitro Pentamethylene Tetramine (DPT) are two of the main intermediate compounds. The former was prepared, purified, and then characterized. Conversion of this compound into the latter has been followed up experimentally. Herein, we report the Preparation of Dinitro Pentamethylene Tetramine (DPT) from Hexamine Dinitrate - as an alternative synthetic route - which is an important intermediate appears through preparation of DPT from Hexamine directly. DPT was prepared at different temperatures. The variation of some factors like: temperature and time has been investigated. The obtained results were reliable and consistent with the literature. The conversion of Hexamine Dinitrate to HMX as another synthetic route was not fully studied from the point of view of kinetics. In this paper, it is intended to study the effect of time and temperature on the conversion rate of hexamine dinitrate to DPT. This scientific approach is considered as a bridge through which we aim to initiate a complete kinetic study of an important intermediate in the synthesis route of one of the most powerful energetic materials. We report here, optimizing the kinetic data for the synthesis of DPT via using Mathematica.


Chemical and Biochemical Engineering

Keywords and Phrases

Mathematica, DPT; Kinetics, Optimization.

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Article - Journal

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