Thermal risk evaluation on decomposition processes for four organic peroxides

Lv, Jiayu; Chen, Wanghua; Chen, Liping; Tian, Yintao; Yan, Jiaojiao

doi:10.1016/j.tca.2014.05.013

Cited by 44 publications

(9 citation statements)

References 26 publications

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“…Although hexaphenylethane is experimentally unknown, sterically much more crowded 2 is isolable and was characterized via XRD and NMR spectroscopy . The origin of the stabilization was traced back to LD interactions between the t Bu-groups, which are deemed excellent DEDs. , The otherwise delicate organic peroxide functionality is also highly stabilized when embedded in the all- meta t Bu - trityl motive leading to a m.p. (decomp.)…”

mentioning

confidence: 99%

London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact

et al. 2017

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Neutron diffraction of tri(3,5-tert-butylphenyl)methane at 20 K reveals an intermolecular C-H···H-C distance of only 1.566(5) Å, which is the shortest reported to date. The compound crystallizes as a C-symmetric dimer in an unusual head-to-head fashion. Quantum chemical computations of the solid state at the HSE-3c level of theory reproduce the structure and the close contact well (1.555 Å at 0 K) and emphasize the significance of packing effects; the gas-phase dimer structure at the same level shows a 1.634 Å C-H···H-C distance. Intermolecular London dispersion interactions between contacting tert-butyl substituents surrounding the central contact deliver the decisive energetic contributions to enable this remarkable bonding situation.

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confidence: 99%

London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact

et al. 2017

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“…Based on the kinetic profiles obtained, the reaction progress beyond the experimental conditions can be predicted for safety evaluation or process optimization. Owing to its high efficiency and high reliability on the kinetic calculations, the software has been widely used in industrial safety analysis and scientific research …”

Section: Resultsmentioning

confidence: 99%

Safe Scale-Up of anN-Bromosuccinimide Involved Bromination Reaction

Guan

Tian

Zhao

et al. 2021

Org. Process Res. Dev.

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A hazardous side reaction between N-bromosuccinimide (NBS) and 2-methyltetrahydrofuran (2-MeTHF) was identified during the thermal safety analysis toward a bromination process. A delay reaction owing to a preferred free-radical initiation was observed. The progress of the side reaction and influence of NBS concentration on the reaction heat were studied by means of different calorimeters. The heat flow of the desired reaction was measured by the reaction calorimeter (RC1), indicating the bromination could be controlled under a semibatch mode with appropriate feeding program of NBS. On the basis of these investigations, two consecutive brominating processes with 106 kg starting material were safely scaled up in the pilot plant with expected yields.

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“…When the temperature was increased to 120°C, LHBPCS had already been cross‐linked before starting test (Before we kept the temperature constant at 120°C, LHBPCS had already transformed into solid). Given the thermal decomposition of TBPB was mainly occurred between 120 and 170°C, we considered the cross‐linking efficiency could be further improved through raising initiating temperature …”

Section: Resultsmentioning

confidence: 99%

Highly effective free‐radical‐catalyzed curing of hyperbranched polycarbosilane for near stoichiometric SiC ceramics

Pei

Zhong

et al. 2018

J Am Ceram Soc

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Liquid hyperbranched polycarbosilane (LHBPCS) is an excellent preceramic polymer of SiC. Before thermolysis, curing of LHBPCS is favorable for higher ceramic yield and molding. In order to avoid some unfavorable factors arising from traditional thermal curing, we introduced a free‐radical initiator tert‐butyl peroxybenzoate (TBPB) to trigger the crosslinking of allyl group on LHBPCS in this study. FT‐IR, NMR and DSC measurements indicated only allyl group was consumed during the cross‐linking process. The cross‐linking reaction rate was monitored by a rotational rheometer, and results confirmed LHBPCS could be cured in 4 minutes with the help of 1 wt% TBPB at 80°C. TGA and SEM demonstrated the catalytic‐cured LHBPCS had a high ceramic yield of 79.0 wt% and dense structure. The effect of TBPB on crystallization behavior of the obtained SiC was also explored by XRD, and little impact was detected. After 1600°C thermolysis, a near stoichiometric and crystalline SiC with ceramic yield of 77.5 wt% was obtained.

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Thermal risk evaluation on decomposition processes for four organic peroxides

Cited by 44 publications

References 26 publications

London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact

London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact

Safe Scale-Up of anN-Bromosuccinimide Involved Bromination Reaction

Highly effective free‐radical‐catalyzed curing of hyperbranched polycarbosilane for near stoichiometric SiC ceramics

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