Journal ArticleDOI
Thermal hazards analysis for benzoyl peroxide in the presence of hexanoic acid
Phoon Hooi San,Michael Pasquier +1 more
Reads0
Chats0
TLDR
In this article , the effects of hexanoic acid (HAA) on the thermal decomposition of BPO were investigated using differential scanning calorimetry (DSC) experiments.Abstract:
Benzoyl peroxide (BPO) is a common cross-linking agent and initiator that is widely used in the chemical industry. The instability of a substance may be influenced by the presence of impurities; therefore, the thermal hazard of organic peroxides under contamination has always been a topic of interest. In this study, the effects of hexanoic acid (HAA) on the thermal decomposition of BPO were investigated using differential scanning calorimetry (DSC; 2.0, 4.0, 6.0, 8.0, and 10.0 °C/min) experiments. By using the Kissinger-Akahira-Sunose and Flynn-Wall-Ozawa kinetic models, the progress of the obtained DSC curve was fitted linearly, and the thermokinetic parameters of BPO in the presence of HAA were further calculated. The two apparent activation energy calculations consistently indicated that HAA increased the thermal hazard of BPO. In addition, the Coats-Redfern model was adopted to compute the decomposition mechanism function of each phase of the material, and Gaussian 16 was used to determine the atomic bonding levels between the molecules to discover the thermal decomposition reaction path of BPO under the effect of HAA. The study results can be used as a reference for the loss prevention and control of BPO in practical engineering applications. read more
Citations
More filters
Journal ArticleDOI
3-(Trifluoromethyl)benzoylacetonitrile: A multi-functional safe electrolyte additive for LiNi0.8Co0.1Mn0.1O2 cathode of high voltage lithium-ion battery
Juncheng Jiang,An-Chi Huang,Yan Tang,Ye-Cheng Liu,Lingjie Xie,Chuanming Zhang,Zhi-Hao Wu,Zhi Xiang Xing,Fei Yu +8 more
TL;DR: In this paper , 3-(Trifluoromethyl)benzoylacetonitrile (3-TBL) was selected as a film-forming flame-retardant additive for the NCM811 cathode of the high-voltage lithium-ion battery, and the synergistic effect with lithium difluoro(oxalato)borate enhanced the battery cycle and safety performance.
Journal ArticleDOI
Thermal hazard evaluation conjoined with product analysis of two water-soluble azo compounds
Journal ArticleDOI
Atomistic insights into the pyrolysis of methyl ethyl ketone peroxide via ReaxFF molecular dynamics simulation
TL;DR: In this paper , the authors investigated the pyrolysis of the MEKP dimer and monomer via the ReaxFF molecular dynamics simulations and showed that there exist two-stage reactions, consistent with the reported experiments.
Journal ArticleDOI
Process hazard evaluation and thermal runaway prediction for styrene polymerization initiated by peroxide-azo composites
Andong Yu,Xinyi Zhao,Min Hua,Xuhai Pan,Melis S. Duyar,Xinmiao Liang,Yiming Jiang,Juncheng Jiang,Chi-Min Shu +8 more
TL;DR: In this article , the thermal hazards of styrene polymerization using azodiisobutyronitrile (AIBN) and tert-Butyl peroxybenzoate (TBPB) composite initiators were evaluated using differential scanning calorimetry (DSC) and adiabatic experiments.
Journal ArticleDOI
Artificial intelligence knacks-based computing for stochastic COVID-19 SIRC epidemic model with time delay
TL;DR: The proposed LM-BPNN method’s accuracy has been proven by its results overlapping with explicit Runge–Kutta results and calculation of regression metrics, error analysis of histogram illustrations and learning curves on MSE effectively augment the LM- BPNN's accuracy, convergence and reliability in solving the SIRC-CTC-19 model.
References
More filters
Journal ArticleDOI
Kinetic Parameters from Thermogravimetric Data
A. W. Coats,J. P. Redfern +1 more
TL;DR: In this article, a thermocouple is used to measure the sample temperature in a Stanton HT-D thermobalance, the bead of which is positioned in or near the sample, depending on crucible design.
Journal ArticleDOI
ICTAC Kinetics Committee recommendations for performing kinetic computations on thermal analysis data
Sergey Vyazovkin,Alan K. Burnham,José M. Criado,Luis A. Pérez-Maqueda,Crisan Popescu,Nicolas Sbirrazzuoli +5 more
TL;DR: In this article, the authors have developed recommendations for reliable evaluation of kinetic parameters (the activation energy, the preexponential factor, and the reaction model) from the data obtained by means of thermal analysis methods such as TGA, differential scanning calorimetry (DSC), and differential thermal analysis (DTA).
Journal ArticleDOI
A quick, direct method for the determination of activation energy from thermogravimetric data
Joseph H. Flynn,Leo A. Wall +1 more
Journal ArticleDOI
Inhomogeneous electron gas
TL;DR: Narasimhan as discussed by the authors showed that the ground state energy of a very general and nontrivial system was the result of minimising an expression that only contained a function of three variables.