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

Ye Cheng Liu; An Chi Huang; Yan Tang; Xiao Ming Ma; Ya Ping Yang; Zhi Hao Wu; Chi Min Shu; Zhi Xiang Xing; Jun Cheng Jiang

doi:10.1080/07370652.2021.2004624

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

Ye Cheng Liu, An Chi Huang, Yan Tang, Xiao Ming Ma, Ya Ping Yang, Zhi Hao Wu, Chi Min Shu, Zhi Xiang Xing, Jun Cheng Jiang

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

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.

Original language	English
Pages (from-to)	530-549
Number of pages	20
Journal	Journal of Energetic Materials
Volume	41
Issue number	4
DOIs	https://doi.org/10.1080/07370652.2021.2004624
State	Published - 2023
Externally published	Yes

Keywords

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

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10.1080/07370652.2021.2004624

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title = "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, accelerating rate calorimeter, apparent activation energy, energetic material, thermal stability",

author = "Liu, {Ye Cheng} and Huang, {An Chi} and Yan Tang and Ma, {Xiao Ming} and Yang, {Ya Ping} and Wu, {Zhi Hao} and Shu, {Chi Min} and Xing, {Zhi Xiang} and Jiang, {Jun Cheng}",

note = "Publisher Copyright: {\textcopyright} 2021 Taylor & Francis Group, LLC.",

year = "2023",

doi = "10.1080/07370652.2021.2004624",

language = "英语",

volume = "41",

pages = "530--549",

journal = "Journal of Energetic Materials",

issn = "0737-0652",

publisher = "Taylor and Francis Ltd.",

number = "4",

}

TY - JOUR

T1 - Thermokinetic model establishment and numerical simulation of 2,4,6-trinitrophenol based on eco-friendly synthesis method

AU - Liu, Ye Cheng

AU - Huang, An Chi

AU - Tang, Yan

AU - Ma, Xiao Ming

AU - Yang, Ya Ping

AU - Wu, Zhi Hao

AU - Shu, Chi Min

AU - Xing, Zhi Xiang

AU - Jiang, Jun Cheng

PY - 2023

Y1 - 2023

N2 - 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.

AB - 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.

KW - 2, 4, 6-trinitrophenol

KW - accelerating rate calorimeter

KW - apparent activation energy

KW - energetic material

KW - thermal stability

UR - http://www.scopus.com/inward/record.url?scp=85120809894&partnerID=8YFLogxK

U2 - 10.1080/07370652.2021.2004624

DO - 10.1080/07370652.2021.2004624

M3 - 文章

AN - SCOPUS:85120809894

SN - 0737-0652

VL - 41

SP - 530

EP - 549

JO - Journal of Energetic Materials

JF - Journal of Energetic Materials

IS - 4

ER -

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

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Keywords

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