Effect of sodium halides on the thermal stability and thermokinetic of azo diisobutyl nitrile

IF 4.8 3区工程技术 Q2 ENGINEERING, CHEMICAL

Journal of Loss Prevention in The Process Industries Pub Date : 2026-04-01 Epub Date: 2025-11-19 DOI:10.1016/j.jlp.2025.105850

Xin-Hao Wang , Yan-Long Guo , Yen-Chun Cheng , Jun-Cheng Jiang , An-Chi Huang

{"title":"Effect of sodium halides on the thermal stability and thermokinetic of azo diisobutyl nitrile","authors":"Xin-Hao Wang , Yan-Long Guo , Yen-Chun Cheng , Jun-Cheng Jiang , An-Chi Huang","doi":"10.1016/j.jlp.2025.105850","DOIUrl":null,"url":null,"abstract":"<div><div>Azo diisobutyronitrile (AIBN) is frequently employed as an initiator in rocket propellants, however it possesses intrinsic thermal risks. This study methodically examines the influence of sodium halides (NaCl, NaBr, NaI, and NaF) on the thermal stability and decomposition kinetics of AIBN by thermogravimetric-Infrared, differential scanning calorimetry, and accelerating rate calorimetry studies. Thermokinetic modelling employing the Kissinger–Akahira–Sunose, Flynn–Wall–Ozawa, and Starink methodologies demonstrated that sodium halides augment the apparent activation energy (<em>E</em><sub>a</sub>) of AIBN breakdown, particularly with NaF (<em>E</em><sub>a</sub> increased from roughly 145 ± 1.00 to 169 ± 1.00 kJ/mol). ARC studies demonstrated that NaBr considerably lowers the maximum heating rate of AIBN from 11.25 ± 0.30 °C/min to 10.11 ± 0.30 °C/min, hence reducing thermal risk. The simulation results using the multiple linear regression method show that when NaBr is present, the decomposition energy levels of AIBN and the reaction heat released are significantly reduced. Gaussian computations verified a negative Gibbs free energy (−56.93 kJ/mol), signifying spontaneous decomposition. These quantitative results offer significant insights for improving the safe storage and management of AIBN in practical applications.</div></div>","PeriodicalId":16291,"journal":{"name":"Journal of Loss Prevention in The Process Industries","volume":"100 ","pages":"Article 105850"},"PeriodicalIF":4.8000,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Loss Prevention in The Process Industries","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0950423025003080","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/11/19 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}

引用次数: 0

Abstract

Azo diisobutyronitrile (AIBN) is frequently employed as an initiator in rocket propellants, however it possesses intrinsic thermal risks. This study methodically examines the influence of sodium halides (NaCl, NaBr, NaI, and NaF) on the thermal stability and decomposition kinetics of AIBN by thermogravimetric-Infrared, differential scanning calorimetry, and accelerating rate calorimetry studies. Thermokinetic modelling employing the Kissinger–Akahira–Sunose, Flynn–Wall–Ozawa, and Starink methodologies demonstrated that sodium halides augment the apparent activation energy (E_a) of AIBN breakdown, particularly with NaF (E_a increased from roughly 145 ± 1.00 to 169 ± 1.00 kJ/mol). ARC studies demonstrated that NaBr considerably lowers the maximum heating rate of AIBN from 11.25 ± 0.30 °C/min to 10.11 ± 0.30 °C/min, hence reducing thermal risk. The simulation results using the multiple linear regression method show that when NaBr is present, the decomposition energy levels of AIBN and the reaction heat released are significantly reduced. Gaussian computations verified a negative Gibbs free energy (−56.93 kJ/mol), signifying spontaneous decomposition. These quantitative results offer significant insights for improving the safe storage and management of AIBN in practical applications.

查看原文本刊更多论文

卤化钠对偶氮二异丁腈热稳定性和热力学的影响

偶氮二异丁腈（AIBN）常被用作火箭推进剂的引发剂，但它具有固有的热风险。本研究通过热重-红外、差示扫描量热法和加速量热法研究了卤化钠（NaCl、NaBr、NaI和NaF）对AIBN热稳定性和分解动力学的影响。采用Kissinger-Akahira-Sunose， Flynn-Wall-Ozawa和Starink方法的热力学模型表明，卤化钠增加了AIBN分解的表观活化能（Ea），特别是NaF （Ea从大约145±1.00增加到169±1.00 kJ/mol）。ARC研究表明，NaBr显著降低了AIBN的最大加热速率，从11.25±0.30°C/min降至10.11±0.30°C/min，从而降低了热风险。多元线性回归方法的模拟结果表明，NaBr存在时，AIBN的分解能级和释放的反应热显著降低。高斯计算证实了负的吉布斯自由能（- 56.93 kJ/mol），表明是自发分解。这些定量结果为提高AIBN在实际应用中的安全储存和管理提供了重要的见解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of Loss Prevention in The Process Industries 工程技术-工程：化工

CiteScore

7.20

自引率

14.30%

发文量

226

审稿时长

52 days

期刊介绍： The broad scope of the journal is process safety. Process safety is defined as the prevention and mitigation of process-related injuries and damage arising from process incidents involving fire, explosion and toxic release. Such undesired events occur in the process industries during the use, storage, manufacture, handling, and transportation of highly hazardous chemicals.