Decomposition Of Benzoyl Peroxide Research Articles

Preparation and tribological properties of Phenyl-Functionalized thermally reduced GrapheneOxide

We report a two-step method for preparing hydrophobic graphene. This method transforms graphite oxide (GO) into thermally reduced graphene oxide (TRGO) and then into phenyl-functionalized thermally reduced graphene oxide (PTRGO) through high-temperature thermal reduction and a heat-induced solid-phase chemical reaction. GO was successfully stripped, and TRGO was prepared by high-temperature thermal reduction. The phenyl radicals produced by the thermal decomposition of benzoyl peroxide(BPO) preferentially induced the ring-opening of the epoxy group on the TRGO, and the phenyl groups were attached. The prepared PTRGO displayed excellent hydrophobic properties, with a water contact angle of 132.0°, and was stably dispersed in the base oil without requiring any surfactants or modifiers. Four-ball testing showed that when the additive amount of PTRGO was 75 mg/L, the coefficient of friction (COF) and wear scratch diameter (WSD) of Abu Dhabi (AD) base oil (150 N) decreased by 24.2% and 15.7%, respectively.

Process hazard and decomposition mechanism of benzoyl peroxide in the presence of incompatible substances

Benzoyl peroxide (BPO) is a hazardous chemical, which is incompatible with many substances. Due to its high thermal sensitivity, it reacts violently with organic chemicals and can cause serious explosions when heated. Toluene and sodium hydroxide (NaOH) are incompatible substances frequently encountered in the production and utilization of BPO. Therefore, it is necessary to investigate the thermal decomposition behavior of BPO and its reaction mechanism under the effect of impurities. In this paper, thermal decomposition behavior of BPO, the mixture of BPO and toluene, and the mixture of BPO and NaOH were studied using differential scanning calorimetry and adiabatic calorimetry under different conditions. The decomposition kinetic models were obtained to simulate thermal runaway behavior in actual package. Chromatography-Mass Spectrometry experiments were performed to examine the composition of thermal decomposition products in different systems. The results show that NaOH improves the thermal stability of BPO and toluene makes it easier for BPO decomposition. Both NaOH and toluene change the decomposition path of BPO. The consumption of benzoic acid radicals is accelerated by NaOH. Toluene makes the decomposition of BPO follow an n-order reaction by consuming phenyl radicals generated by the decomposition of BPO. This study is important for understanding thermal hazards of BPO at the reaction mechanism level and ensuring process safety in industrial processes.

Effect of N-Vinylpyrrolidone on Decomposition of Benzoyl Peroxide

Effect of N-Vinylpyrrolidone on Decomposition of Benzoyl Peroxide

Persistent free radicals on carbon nanotubes and their catalytic effect on benzoyl peroxide decomposition

Carbon nanotubes (CNTs) were found to exhibit a remarkable catalytic effect on the decomposition of benzoyl peroxide (BPO) in ethanol at room temperature. The catalytic effects of various carbonaceous materials were investigated by UV spectroscopy. The decomposition reaction for BPO/CNT/ethanol system was studied through gas chromatography-mass spectrometry, infrared spectroscopy and free radical trapping technique. Those results indicated the decomposition of BPO by CNTs occurred via a free-radical pathway involving benzoate radicals. The catalytic mechanism of CNTs was further investigated through electron spin resonance (ESR) spectroscopy and quantum chemical calculations. The ESR signals with same line shape and g-value were found in multi-walled CNTs, single-walled CNTs, and oxidation product of pyrenol. The persistent free radicals (PFRs) on CNTs were essentially aryloxy radicals ([ArO]•) with spin electrons dispersed on the aromatic plane. Polycyclic aromatic hydrocarbons with larger π-conjugated structures and more aryloxy radicals exhibited a stronger electron-transfer ability. Finally, a three-step pathway for CNTs to decompose BPO was proposed: (1) formation of an asymmetric peroxide (ArO-OOCC6H5) via free radical exchange; (2) conversion of ArO-OOCC6H5 into radicals ([ArO]• and C6H5COO•), or ions ([ArO]+C6H5COO−); (3) formation of benzoic acid by hydrogen or proton abstraction. This study offered tremendous insight into the electronic structures and catalytic mechanism of CNTs, and can facilitated their development for ROS production and scavenging.

Persistent Free Radicals on Carbon Nanotubes and Their Catalytic Effect on Benzoyl Peroxide Decomposition

Persistent Free Radicals on Carbon Nanotubes and Their Catalytic Effect on Benzoyl Peroxide Decomposition

Optimization of initiator contents in room temperature polymerization of methyl methacrylate

Vinyl polymerization is an important path for in-situ polymerization of thermoplastic resins. BPO (Benzoyl peroxide) and DMT (dimethyl-p-toluidine) were chosen to initiate the radical polymerization of MMA (methyl methacrylate) in this work. Optimization of initiator concentration was studied through reaction rate of polymerization progress and properties of PMMA (polymethyl methacrylate). At first, the catalytic of DMT in MMA polymerization was studied through polymerization experiments and rheological experiments. Results showed that DMT could catalyze more than one molecular BPO in the whole reaction period. It can catalyze the decomposition of BPO after being connected to PMMA chains. Second, the BPO: DMT ratio was set to 2:1 to study the ideal content by comparing the mechanical properties of PMMA. Results showed that with the increase of initiator contents, T g, molecular weight, and residual monomer were all declining. Meanwhile, the mechanical properties of PMMA matrix first increased and then decreased. This phenomenon was analyzed by 1H-NMR and SEM. And the optimal BPO-DMT concentration was 1.0 mol%–0.5 mol%.

Thermal hazards analysis for benzoyl peroxide in the presence of hexanoic acid

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.

Autocatalytic decomposition properties and thermal decomposition of benzoyl peroxide

Differential scanning calorimetry (DSC) and thermogravimetric analyzer (TGA) were used to examine the thermal decomposition of benzoyl peroxide (BPO). The interruption rescanning method was adopted to examine the effect of thermal history on the autocatalysis and thermal decomposition of BPO. Autocatalysis of BPO was verified through isothermal experiments. According to the DSC linear temperature rise data of BPO, mathematical methods were used to decouple and divide the peaks. Kinetic analysis using both the Kissinger and Friedman methods was performed. The initial decomposition temperature of the decoupled BPO ranged between 101.4 and 104.6 °C. The peak temperature was 110.9–126.2 °C, and the decomposition enthalpy was 229.7–524.2 J g–1. The apparent activation energy was higher in the coupling state than after decoupling one. The thermal history and isothermal experiments demonstrated that BPO possessed autocatalytic properties. Results revealed that initial decomposition temperature tended to decrease with the increase in interruption temperature. In addition, the apparent activation energy of BPO decreased following the thermal history analysis because of the formation of intermediate products from BPO in the thermal history experiments, which further promoted BPO’s thermal decomposition. This effect led to a decrease in BPO’s initial decomposition temperature.

PENGARUH MILLING TERHADAP KARAKTERISTIK MOLECULARLY IMPRINTED POLYMER KARBARIL (C12H11NO2)

Molecularly Imprinted Polymer (MIP) has been synthesized with carbaryl used as a template and forms complex bonds with Methacrylic Acid (MAA)through hydrogen bonds, followed by a cross-linking process using Ethylene Glycol Dimethacrylate (EGDMA) cross-linkers. The polymerization process begins with the thermal decomposition of Benzoyl Peroxide (BPO) as an initiator. Non-Imprinted Polymer (NIP) as a control polymer has also been synthesized using a similar procedure without using carbaryl templates. In this study, two variations of carbaryl are used, which are not milled carbamates, and carbaryl has been milled using High Energy Milling (HEM). The FTIR study was carried out to investigate the presence of carbaryl in polymers, MIP, and NIP. The spectrum shows that the concentration of carbaryl compound decreases after the extraction process. This result was also confirmed by the increase in the value of the percentage of transmittance in the MIP, especially the nano carbaryl MIP. This result is supported by the X-RD results, which showed a decrease in the size of the crystals in the carbaryl MIP from 10.07 Å while the nano carbaryl MIP was 9.16 Å.

Thermal hazard assessment of the thermal stability of acne cosmeceutical therapy using advanced calorimetry technology

In recent years, a number of cosmeceutical incidents have occurred both domestically and internationally. These incidents range from minor burns on the skin to the explosion of a cosmeceutical factory. In most of these incidents, benzoyl peroxide (BPO) was reported as one of the hazardous compounds involved. Even after dilution, BPO still poses a hazard. This study examined the thermal stability parameters of BPO by using differential scanning calorimetry, thermogravimetric analyzer, and thermal activity monitor III. Advanced thermokinetic models were integrated and calculated, and complete thermal stability analysis of low concentration of BPO was conducted. The findings of this study may be used as a reference in future research on BPO decomposition.

Decomposition of Benzoyl Peroxide in the Presence of Ferrocene

Decomposition of benzoyl peroxide in the presence of ferrocene has been shown to proceed simultaneously via several pathways—thermal decomposition, the decomposition catalyzed by iron ions, and the reaction with ferrocene with the formation of ferrocenium radical-cation.

Thermal decomposition of solid benzoyl peroxide using Advanced Reactive System Screening Tool: Effect of concentration, confinement and selected acids and bases

Benzoyl peroxide (BPO) is one of the most commonly used industrial organic peroxides; however, thermal decomposition of BPO is self-accelerating and can cause fires and explosions; therefore, thermal behavior of BPO decomposition needs to be understood clearly. In this paper, the experimental study of thermal decomposition of solid benzoyl peroxide (BPO) was conducted using the Advanced Reactive System Screening Tool (ARSST). The “onset” temperatures of 75% BPO and 98% BPO were determined to be 98 °C and 79 °C. The confinement tests showed that adding initial pressure can decrease the “onset” temperature, as well as increase the maximum self-heating rate, maximum pressure rise rate, and maximum temperature. Isothermal aging tests were conducted to study the effect of induction. A higher isothermal temperature shortened the induction time. The results showed that BPO can decompose at 75 °C if held at this temperature for a period of time, and the “onset” temperature in isothermal tests can be much lower than that measured in dynamic screening tests. In addition, effect of selected acids and bases on BPO thermal decomposition were investigated. All the additives had little impact on the BPO decomposition reaction under the tested conditions. Further experiments are needed to investigate the thermal hazards of mixtures. Our research is the first in the literature to study BPO decomposition using ARSST and the results provide useful information to characterize hazardous decomposition, and design safe measures during drying, storage, and transportation of BPO.

Thermal analysis of the styrene bulk polymerization and characterization of polystyrene initiated by two methods

Among the accidents caused by highly exothermic reactions, the proportion of polymerization thermal runaway accident accounts for about 48%. The mechanism of styrene polymerization in normal reaction process had been studied thoroughly in the literature. However, the interpretation of mechanism of runaway reactions was lacking. Based on the complicated mechanism of styrene polymerization by thermoinitiated and benzoyl peroxide (BPO) initiated. Differential scanning calorimeter and adiabatic rate calorimeter were devoted to analyze the thermal runaway processes of styrene polymerization. The initial exothermic temperature, adiabatic temperature rise, and maximum reaction temperature of BPO-initiated synthesis reaction were lower than those of thermoinitiated polymerization. Moreover, nuclear magnetic resonance imaging, gel permeation chromatography, and Fourier transform infrared spectrometry were used to characterize the polymerization products. The polystyrene initiated by the two methods had the same hydrogen structure, and BPO-initiated process included the effects of the thermoinitiated process. However, their molecular weight and distribution uniformity differed considerably. The free radicals produced by BPO decomposition participated in the chain reaction of styrene polymerization, accelerated instantaneous grain growth, and promoted the formation of short-chain polystyrene. In brief, the BPO-initiated polymerization process exhibited the desired thermal safety characteristics and gained product under thermal runaway was still polystyrene.

Mechanism of destruction of benzoyl peroxide on surface of sp2-type carbon nanomaterials

The possible mechanisms of decomposition of benzoyl peroxide were investigated by the method of density functional theory with the exchange-correlation functionality of B3LYP, a basis set of 6-31G (d, p). It was carried out a comparative analysis of the quantum chemical calculations of the electronic structure of carbon nanoclusters simulating the active surface of sp < sub>2 carbon materials, including their modifications by the heteroatoms N and O. The energy parameters of the benzoyl peroxide molecule and all possible products of its decomposition, as well as the interaction of the free radical Ph-COO• with model graphite-like nanoclusters were considered. The calculations are compared with the experimental results of the catalytic activity of the varieties of activated charcoal and the catalase enzyme in the reaction of the benzoyl peroxide decomposition in a non-aqueous medium. It has been established that in the benzoyl peroxide molecule, regardless of the polarity of the medium, the weakest is the bond (O-O). The greatest ability to decompose benzoyl peroxide, which is much larger than that of catalase, was detected on the N-containing carbonaceous materials. It is shown that the free radical Ph-COO• is lighter and kinetically, and thermodynamically interacted with the graphite-like plane of the model N-containing carbon nanoclusters.

Synthesis and Study of Guest-Rebinding of MIP Based on MAA Prepared using Theophylline Template

A molecularly imprinted polymer (MIP) based on methacrylic acid (MAA) monomer and theophylline template has been synthesized using a modified bulk polymerization method. Theophylline was employed as a template and it formed a complex with MAA through hydrogen bonding. Self-assembly of template-monomer was followed by cross-linking process using ethylene glycol dimethacrylate (EGDMA) cross-linker. The polymerization process was initiated by thermal decomposition of benzoyl peroxide (BPO) as the initiator at 60oC after cooling treatment at -5oC. After 7 hours, a rigid polymer was obtained and followed by grinding the polymer and removing the template. As a reference, a nonimprinted polymer (NIP) has also been synthesized using similar procedure by excluding the template. FTIR study was carried out to investigate the presence of theophylline in the as- prepared polymer, MIP, and NIP. The spectra indicated that theophylline was successfully incorporated in the as-prepared polymer. This result was also confirmed by EDS analysis showing that N atoms of the as-prepared polymer were derived from amino group of theophylline. Furthermore, the polymer particles of MIP were irregular in shape and size as shown by its SEM image. The capability of guest-rebinding of the MIP was analyzed through Batchwise guest-binding experiment. The results showed that for initial concentration of theophylline in methanol/chloroform (1/1, v/v) of 0.333 mM, the binding capacity of the MIP was 23.22 /mol/g. Compared to the MIP, the adsorption capacity of the NIP was only 3.73 /mol/g. This result shows that MIP has higher affinity than NIP.

Benzoyl Peroxide Decomposition by Nitrogen-Containing Carbon Nanomaterials

Benzoyl Peroxide Decomposition by Nitrogen-Containing Carbon Nanomaterials

Thermal hazard analyses for the synthesis of benzoyl peroxide

Benzoyl peroxide (BPO), historically, due to its wide applications around the world, has caused many serious fire and explosion accidents. In this paper, in order to prevent such accidents, thermal hazard analyses of synthesis of benzoyl peroxide were studied. Firstly, in order to obtain thermal hazard coefficients, the exothermic processes with different alkaline solutions were studied by RC1e (Reaction Calorimeter). The alkaline solutions are NaOH, NH4HCO3 and Na2CO3, respectively. Secondly, the thermal decomposition of BPO product was studied by PHI-TECⅡto analysis the thermal stability. Finally, the possibility of runaway reactions and thermal risks of synthetic process were evaluated according to the Stoessel criticality diagram. In the first stage, the test results of the reaction heat (ΔHm), heat release rate (qr) and adiabatic temperature rise (ΔTad) with different alkaline solutions were NaOH > Na2CO3 > NH4HCO3. In the second stage, according to the analysis of experimental data, the heat release rate of reaction with NH4HCO3 solution was the slowest, while the Maximum Temperature of the Synthesis Reaction (MTSR) and the adiabatic temperature rise (ΔTad) were lowest when using Na2CO3 solution. The time needed to reach the maximum reaction rate under the adiabatic condition (TMRad) was 0.83 h when using NaOH solution. The temperature was 38.24 °C when TMRad is 24 h (TD24). The evaluation results of the process showed that the risks of reactions with NaOH solution or NH4HCO3 solution were not acceptable. Only the risk of the reaction with Na2CO3 solution was acceptable. Therefore, the safety level of synthesis of benzoyl peroxide can be significantly improved by using Na2CO3 solution. Research in this paper can not only improve the safety level of BPO reaction and storage processes, but also provide technical support for stability criterion of BPO decomposition reaction.

Вплив гетероатомів азоту та кисню на каталітичну активність вуглецевих нанопоруватих матеріалів типів КАУ й СКН у реакції розкладання пероксиду бензоїлу

Вплив гетероатомів азоту та кисню на каталітичну активність вуглецевих нанопоруватих матеріалів типів КАУ й СКН у реакції розкладання пероксиду бензоїлу

Effect of metallocenes on benzoyl peroxide decomposition

Benzoyl peroxide (BP) decomposition in the presence of the Cp2Fe, (C5Me5)2Fe, (C5Me5)2ZrCl2, (AcC5H4)(C5H4)Fe, Cp2ZrCl2, and Cp2TiCl2 metallocenes in ethylbenzene oxidation as a model reaction has been studied. It has been shown that the metallocenes have a catalytic effect on BP decomposition in accordance with their electrochemical potentials. The rate constant of the bimolecular BP decomposition reaction with the formation of radicals in the BP-ferrocene system (1.46 L mol−1 s−1) has been found.

Ester Functionalization of Polypropylene via Controlled Decomposition of Benzoyl Peroxide during Solid-State Shear Pulverization

Polypropylene (PP) is a nonpolar polyolefin that is sometimes functionalized with polar molecules to allow for reactive compatibilization and improve interfacial adhesion. Functionalized PP is conventionally synthesized by melt extrusion at elevated temperature (T) (≥∼180 °C) with a radical initiator and polar monomer, e.g., maleic anhydride. A drawback to high T functionalization is that β-scission, which leads to cleavage of C–C backbone bonds, is significant and results in major molecular weight (MW) reduction and property degradation. We present a novel method of functionalizing PP using benzoyl peroxide (BPO) alone by a process called solid-state shear pulverization (SSSP), resulting in ester functional groups (benzoates) grafted at high yield onto PP. Ester functionalized PP (PP-g-ES) is synthesized with limited MW reduction because SSSP is done at sufficiently low T to suppress β-scission. Characterization before and after grafting at 0.18 mol % (0.46 wt %) graft level indicates that functionalizat...