Thermokinetic model establishment and numerical simulation of 2,4,6-trinitrophenol based on eco-friendly synthesis method

ABSTRACT

In this paper, the synthesis of 2,4,6-trinitrophenol from phenol was improved in the range of 0–65°C, and the yield was 79.4%. The effectiveness of the synthesis process was confirmed by Nuclear Magnetic Resonance, Fourier Transform Infrared Spectrometer, and Scanning Electron Microscope. The thermal stability of the product was further studied by differential scanning calorimetry and accelerating rate calorimeter. The kinetic model established by combining linear regression and nonlinear regression methods shows that the apparent activation energy of the energetic material synthesized under the green process is about 130 kJ/mol.

KEYWORDS:

• 2, 4, 6-trinitrophenol
• energetic material
• thermal stability
• accelerating rate calorimeter
• apparent activation energy

Funding

The authors thank the National Nature Science Foundation of China (Nos. 21927815), the National Key Research Development Program of China (No.2019YFC0810701) for financial support, and the Postgraduate Research & Practice Innovation Program of Jiangsu Province (KYCX21_2802).

Disclosure Statement

No potential conflict of interest was reported by the author(s).