Botao Tang , Tao Zhou , Lei Ni , Liang Yin , Juncheng Jiang , Ahmed Mebarki
{"title":"Design and implementation of an accelerating rate calorimeter based on Modelica modeling","authors":"Botao Tang , Tao Zhou , Lei Ni , Liang Yin , Juncheng Jiang , Ahmed Mebarki","doi":"10.1016/j.tca.2024.179877","DOIUrl":null,"url":null,"abstract":"<div><div>The safety of self-reactive chemicals has garnered attention due to their immense destructive power. The use of an accelerating rate calorimeter allows for more accurate measurement and understanding of the kinetic parameters and reaction mechanisms of self-reactive chemicals, thereby reducing the occurrence of major accidents. In this study, a new accelerating rate calorimeter is designed and constructed by combining Modelica and a fuzzy Proportional-Integral-Derivative algorithm. The feasibility of the calorimeter data was verified by using two solutions with significantly different reaction rates: 20 % mass fraction di‑tert‑butyl peroxide/toluene and tert-butylperoxy-2-ethylhecanoate. Their thermal hazard characteristic parameters were compared with the literature data. In addition, the risk level of thermal runaway was determined using the Stoessel risk assessment method. These results demonstrate that the accelerating rate calorimeter based on Modelica modeling meets the accuracy of thermal hazard characteristic parameters. It is capable of performing risk assessments for runaway reactions of self-reactive chemicals.</div></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Thermochimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0040603124002168","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The safety of self-reactive chemicals has garnered attention due to their immense destructive power. The use of an accelerating rate calorimeter allows for more accurate measurement and understanding of the kinetic parameters and reaction mechanisms of self-reactive chemicals, thereby reducing the occurrence of major accidents. In this study, a new accelerating rate calorimeter is designed and constructed by combining Modelica and a fuzzy Proportional-Integral-Derivative algorithm. The feasibility of the calorimeter data was verified by using two solutions with significantly different reaction rates: 20 % mass fraction di‑tert‑butyl peroxide/toluene and tert-butylperoxy-2-ethylhecanoate. Their thermal hazard characteristic parameters were compared with the literature data. In addition, the risk level of thermal runaway was determined using the Stoessel risk assessment method. These results demonstrate that the accelerating rate calorimeter based on Modelica modeling meets the accuracy of thermal hazard characteristic parameters. It is capable of performing risk assessments for runaway reactions of self-reactive chemicals.
期刊介绍:
Thermochimica Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application.
The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta.
The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas:
- New and improved instrumentation and methods
- Thermal properties and behavior of materials
- Kinetics of thermally stimulated processes