Evaluation of thermal decomposition phenomenon for 1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane by DSC and VSP2

Chen, Wei‐Ting; Chen, Wei‐Chun; You, Mei-Li; Tsai, Yun‐Ting; Shu, Chi‐Min

doi:10.1007/s10973-015-4985-2

Cited by 19 publications

(6 citation statements)

References 26 publications

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“…For example, a Gaussian curve could be used as an approximate method of a simple DSC peak curve [20]; only three thermal parameters are required: the peak height (q max ), T p and the FWHM, as illustrated in Figure 3a. Equation (1) presents the function of the Gaussian curve and portrays the distribution of the Gaussian curve after the loading of temperature data, as formulated in Equation (1).…”

Section: Forming Peak Curve Using the Characteristic Parametersmentioning

confidence: 99%

“…Since the results obtained by the method of this study are in sound agreement with the measurement curves, simulations would assist in understanding in advance the results of planned measurements at other temperature rates. A way to simulate the exothermic peak curve is to use the characteristic temperatures, including q max , T P , and FWHM fitted in a Gaussian curve according to Equation (1). A single smooth bell-shaped peak would be formed from the simulation results.…”

Section: Simulation Using Characteristic Temperaturesmentioning

confidence: 99%

“…Organic peroxides (OP) have been widely applied in the chemical industry since the twentieth century, often in the form of a catalyst such as an initiator, cross-linking agent, or oxidizer because of their specific functional group, the oxygen-oxygen (O-O) bond [1]. The object hazard material of this study was a commercial OP material: 1,1-Bis(tert-butylperoxy)cyclohexane (BTBPC).…”

Section: Introductionmentioning

confidence: 99%

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A Method to Derive the Characteristic and Kinetic Parameters of 1,1-Bis(tert-butylperoxy)cyclohexane from DSC Measurements

et al. 2022

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A differential scanning calorimetry (DSC) experiment was carried out to determine the thermal characteristics of harmful substances. Most experimenters only use the results of measurement and rarely conduct in-depth research on the variety of information behind the measurement. This study used Wolfram’s Mathematica as a DSC measurement research tool to plot the peak curve and derive the characteristic parameters graphically for 1,1-Bis(tert-butylperoxy)cyclohexane. The research steps included raw data cleansing, peak curve normalization, characteristic parameter derivation, and total reaction heat calculation. The kinetic parameters of individual data were derived through the Borchardt and Daniels method, and the autocatalytic model was also verified. We applied the derived characteristic parameters to simulate the peak curve through the Gaussian curve model, which can be used for estimating the peak curve of other heating rates. The derived kinetic parameters were used to observe the effects on the peak curve. The simulation can be used to plan the test results at other rates in a similar temperature range and can also be used to explore the influence of different kinetic parameters on the configuration of the shape of the peak curve and a preliminary model test of materials for materials DSC research.

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Section: Forming Peak Curve Using the Characteristic Parametersmentioning

confidence: 99%

Section: Simulation Using Characteristic Temperaturesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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A Method to Derive the Characteristic and Kinetic Parameters of 1,1-Bis(tert-butylperoxy)cyclohexane from DSC Measurements

et al. 2022

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“…Thus, it determines the optimum temperature-control to avoid thermal hazards during material storage and transport. 1 Several experimental methods measure SADT for thermal risk assessment; however, the associated cost, risk, and chemicals make early-stage evaluation very difficult. Therefore, it is beneficial to develop a simple and high-accuracy SADT prediction method.…”

Section: ■ Introductionmentioning

confidence: 99%

Development of Prediction Models for the Self-Accelerating Decomposition Temperature of Organic Peroxides

Morishita

Kaneko

2022

ACS Omega

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Thermal risk assessment is very important in the primary stages of chemical compound development. In this study, a model to estimate the self-accelerated decomposition temperature of organic peroxides was developed. The structural information of compounds was used to calculate descriptors, on which partial least-squares (PLS) regression and support vector regression were applied for temperature prediction. Molecular mechanics and density functional theory calculations were performed before descriptor calculations, for structure optimization, using a genetic algorithm for variable selection. Structure optimization and variable selection immensely improved the prediction accuracy. Thus, a PLS model, with R 2 = 0.95, root mean square error = 5.1 °C, and mean absolute error = 4.0 °C, exhibiting higher accuracy than existing self-accelerating decomposition temperature prediction models, was constructed.

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“…When azo is involved in an exothermic reaction, it can amply provide free radicals and energy for synthesis of organic compounds or polymers, such as styrene, methyl acrylate, epoxy resin, or propylene, as an initiator, cross-linking, or curing agent. However, ADVN has thermal instability and sensitivity because of its –N=N– structure, which may incur violent thermal decomposition by external fire, other igniting sources, or irradiation [4,5,6,7,8]. In the past, many thermal accidents have occurred because the inherent safety of chemicals is not explicit and the accident process is unexpected, which may result in the stored temperature, cooling system, or pressure relief system to be wrongly designed for safety considerations.…”

Section: Introductionmentioning

confidence: 99%

Evaluation on the Photosensitivity of 2,2′-Azobis(2,4-Dimethyl)Valeronitrile with UV

Yang

Tsai

2017

Molecules

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Azo compounds have high exothermic characteristics and low thermal stability, which have caused many serious thermal accidents around the world. In general, different locations (e.g., equatorial or polar regions) have different UV intensities. If the azo compound exists in an inappropriately stored or transported condition, the decrease in thermal stability may cause a thermal hazard or ageing. 2,2′-Azobis(2,4-dimethyl)valeronitrile (ADVN) is investigated with respect to the thermal stability affected by UV exposure at 0, 6, 12, and 24 h. When ADVN is exposed to 24 h of UV (100 mW/m2 and 254 nm), T0 is not only advanced, but the mass loss is also increased during the main decomposition stage. In addition, the apparent activation energy and integral procedural decomposition temperature (IPDT) of ADVN exposed to 24 h of UV is calculated by kinetic models. Therefore, the prevention mechanism, thermal characteristics, and kinetic parameters are established in our study. We should isolate UV contacting ADVN under any situations, avoiding ADVN being aged or leading to thermal runaway. This study provided significant information for a safer process under changing UV exposure times for ADVN. Furthermore, the research method may serve as an important benchmark for handling potentially hazardous chemicals, such as azo compounds described herein.

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Evaluation of thermal decomposition phenomenon for 1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane by DSC and VSP2

Cited by 19 publications

References 26 publications

A Method to Derive the Characteristic and Kinetic Parameters of 1,1-Bis(tert-butylperoxy)cyclohexane from DSC Measurements

A Method to Derive the Characteristic and Kinetic Parameters of 1,1-Bis(tert-butylperoxy)cyclohexane from DSC Measurements

Development of Prediction Models for the Self-Accelerating Decomposition Temperature of Organic Peroxides

Evaluation on the Photosensitivity of 2,2′-Azobis(2,4-Dimethyl)Valeronitrile with UV

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