Thermal characteristics and hazard of 1,3-Butadiene (BD) polymerization and oxidation

Liu, Pin; Liu, Xiongmin; Saburi, Tei; Kubota, Shiro; Huang, Pinxian; Wada, Yuji

doi:10.1016/j.tca.2020.178713

Cited by 6 publications

(4 citation statements)

References 35 publications

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“…The proposed reaction pathways shown in Fig. 8 are based on the present experimental results and previous studies [ 14 , 15 ]. It should be noted that a rotational barrier of 20.10 kJ mol −1 separates the trans and cis isomers of 1,3-butadiene, which enables their rapid conversion [ 35 ].…”

Section: Resultsmentioning

confidence: 67%

“…Various types of calorimeters were used to study the thermal polymerization of 1,3-butadiene. The thermal characteristics and hazards associated with 1,3-butadiene were studied using an accelerated calorimeter (ARC) [ 14 ]. The thermal dimerization and polymerization reactions of 1,3-butadiene in the presence and absence of oxygen were evaluated to assess its thermal reactivity and runaway behavior using theoretical computational models and thermal analysis techniques [ 15 ].…”

Section: Introductionmentioning

confidence: 99%

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Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm

Dai

Cheng

et al. 2022

BMC Chemistry

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The reaction process of gaseous 1,3-butadiene following ultraviolet irradiation at the temperature range from 298 to 323 K under nitrogen atmosphere was monitored by UV–vis spectrophotometry. A gaseous mini-reactor was used as a reaction vessel and could be directly monitored in a UV–vis spectrophotometer. We investigated the reactivity and kinetics of 1,3-butadiene under non-UV and UV irradiation to evaluate its photochemical stability. A second-order kinetic model with 50.48 kJ·mol–1 activation energy fitted the reaction data for non-UV irradiation, whereas a first-order kinetic model was appropriate in the case of UV irradiation with activation energies of 19.92–43.65 kJ mol–1. This indicates that ultraviolet light could accelerate the photolysis reaction rate of 1,3-butadiene. In addition, the reaction products were determined using gas chromatography-mass spectrometry (GC–MS), and the reaction pathways were identified. The photolysis of 1,3-butadiene gave rise to various volatile products by cleavage and rearrangement of single C–C bonds. The differences between dimerization and dissociation of 1,3-butadiene under ultraviolet irradiation were elucidated by combining experimental and theoretical methods. The present findings provide fundamental insight into the photochemistry of 1,3-butadiene compounds.

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Section: Resultsmentioning

confidence: 67%

Section: Introductionmentioning

confidence: 99%

Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm

Dai

Cheng

et al. 2022

BMC Chemistry

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“…While many papers have been published on solid or liquid sample testing, there are few reports on gaseous sample testing. 1,2 Some difficulties in handling gaseous samples for ARC testing may include quantitative measurement of gaseous samples charged and safe disposal of hazardous gaseous products after the test run.…”

Section: Introductionmentioning

confidence: 99%

“…From further data analysis, it is also possible to get the time‐to‐maximum rate (TMR), temperature of no return ( T NR ), kinetic and thermodynamic information, and further lead to self–accelerating decomposition temperature determination and relief vent sizing calculation. While many papers have been published on solid or liquid sample testing, there are few reports on gaseous sample testing 1,2 . Some difficulties in handling gaseous samples for ARC testing may include quantitative measurement of gaseous samples charged and safe disposal of hazardous gaseous products after the test run.…”

Section: Introductionmentioning

confidence: 99%

A modified Schlenk line for gas‐phase accelerating rate calorimetry capable of quantitatively sampling and safely handling hazardous gases

2023

Process Safety Progress

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This paper reports a new method using a modified Schlenk line for quantitative charging and safe disposal of gases in a gas‐phase accelerating rate calorimetry (ARC) test. The modified Schlenk line is capable of accurately measuring the mass of gas(s) charged to the ARC bomb. The method conveniently allows loading a single gas or multiple gases for reaction. It also provides dosing (or shot addition) capability to add a gaseous sample for when the gas is too reactive to be preloaded with other components. The modified Schlenk line enables safely handling toxic and extremely reactive gaseous chemicals, including collecting gases for further characterization, and disposing the gaseous products and unreacted samples into neutralizing scrubbers after the ARC run. The modified Schlenk line can also be utilized to test solid, liquid, or gas/liquid/solid mixed phases under specific atmospheres. Additional capabilities of the assembly line include quick leak checking and easily removing unwanted air/moisture in the headspace of the bomb or impurities (residual solvents) in the sample before an ARC run, resulting in more reliable data. The utility of this method is demonstrated in the thermal evaluation of the chlorination of toluene with chlorine gas and the thermal stability study of a halogenated ethane.

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Thermal inertias and confidence intervals in the determination of activation energy by isoconversional methods applied for accelerating rate calorimetry

et al. 2022

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Thermal characteristics and hazard of 1,3-Butadiene (BD) polymerization and oxidation

Cited by 6 publications

References 35 publications

Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm

Reactivity and kinetics of 1,3-butadiene under ultraviolet irradiation at 254 nm

A modified Schlenk line for gas‐phase accelerating rate calorimetry capable of quantitatively sampling and safely handling hazardous gases

Thermal inertias and confidence intervals in the determination of activation energy by isoconversional methods applied for accelerating rate calorimetry

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