Relationship between polymerization kinetics and microstructure in reactive polymer blends: An Avrami-Erofeev study

Liang, Yanyan; Peng, Haiyan; Zhang, Yun; Zhou, Xiang; Liao, Yonggui; Xie, Xiaolin; Zhou, Huamin

doi:10.1016/j.eurpolymj.2018.07.005

Cited by 8 publications

(3 citation statements)

References 46 publications

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“…A reaction that includes two consecutive stages (A → B → C) is expressed as follows:

\frac{normalⅆ α}{normalⅆ t} = {(1 - α)}^{n_{1}} k_{01} e^{- \frac{E_{a 1}}{RT}},

\frac{normalⅆ γ}{normalⅆ t} = {(1 - α)}^{n_{2}} k_{02} e^{- \frac{E_{a 2}}{RT}},

where γ is the degree of conversion in the second stage; E a1 and E a2 are the apparent activation energies in stages one and two, respectively; k 01 and k 02 are the pre‐exponential factors.…”

Section: Resultsmentioning

confidence: 99%

Solid thermal explosion of autocatalytic material based on nonisothermal experiments: Multistage evaluations for 2,2′‐azobis(2‐methylpropionitrile) and 1,1′‐azobis(cyclohexanecarbonitrile)

Cao

Pan

et al. 2019

Process Safety Progress

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To achieve the thermal stability characteristics of azo compounds, a method for characterizing the kinetics of the reaction and decomposition for azo compounds based on nonisothermal calorimetric data was explored. Differential scanning calorimetry (DSC) was employed to analyze the thermal decomposition of two azo compounds, 2,2 0 -azobis(2-methylpropionitrile) and 1,1 0 -azobis(cyclohexanecarbonitrile). DSC experiments were performed to acquire the exothermic peak temperature (T p ), exothermic final temperature (T f ), and heat of decomposition (4H d ). Corresponding thermokinetics were calculated using Flynn-Wall-Ozawa method. Moreover, data determined through DSC experiments were utilized to predict the self-accelerating decomposition temperature, control temperature, and emergency temperature. A nonisothermal experiment was performed to investigate the runaway characteristics of azo compounds, the melting behavior that occurred in the decomposition process interfered with thermal analysis. Through dividing the reaction into several stages, multistage evaluations were carried out in the process of our study. During the thermal explosion simulation, the actual packing parameter of 25.0 kg was applied to ensure that the simulation results were more practical. Thermal safety parameters acquired from the simulation results can provide information on loss prevention and facilitated the establishment of an emergency relief system. Highlights• The decomposition process was divided into several stages and considered melting behavior.• A green method contributes to intrinsic safety design.• Solid thermal explosion was simulated. K E Y W O R D Sazo compound, loss prevention, multistage evaluation, self-accelerating decomposition temperature, thermal analysis

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“…A reaction that includes two consecutive stages (A → B → C) is expressed as follows:

\frac{normalⅆ α}{normalⅆ t} = {(1 - α)}^{n_{1}} k_{01} e^{- \frac{E_{a 1}}{RT}},

\frac{normalⅆ γ}{normalⅆ t} = {(1 - α)}^{n_{2}} k_{02} e^{- \frac{E_{a 2}}{RT}},

Section: Resultsmentioning

confidence: 99%

Solid thermal explosion of autocatalytic material based on nonisothermal experiments: Multistage evaluations for 2,2′‐azobis(2‐methylpropionitrile) and 1,1′‐azobis(cyclohexanecarbonitrile)

Cao

Pan

et al. 2019

Process Safety Progress

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“…The Avrami-Erofeev equation model assumes that "germnuclei" of the new phase are distributed randomly within the solid. [26][27][28] Following a nucleation event, the grains grow throughout the old phase until the transformation is completed. It can be seen in Fig.…”

Section: Apparent Activation Energy Calculationmentioning

confidence: 99%

Kinetics Analysis of Iron Oxide Reduction by Solid Carbon in HIsmelt Ironmaking Slag

Wang,

Si,

Pang

et al. 2024

ISIJ Int.

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The HIsmelt process is a new molten reduction ironmaking technology with lower energy consumption and carbon emissions than the traditional blast furnace ironmaking route. In the HIsmelt smelting process, the reaction process between solid carbon and iron-bearing slag has its own characteristics. To investigate the kinetic mechanism of iron oxide reduction in slag, the degree of conversion was characterized by measuring the change of CO content of the generated gas during the experiments and analyzed by combining the model fitting method. The experimental results showed the highest agreement with the Avrami-Erofeev equation. The rate-controlling mechanism for the reduction of iron oxides in the slag was judged to be the random nucleation and subsequent growth of the products. In the study, the rate-controlling mechanism and the kinetic parameters of the reduction reaction of iron oxide in slag have been obtained.

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“…In this technique, a rubber component or thermoplastic resin is dissolved in a thermoset resin as a modifier, and a phase-separated structure is formed by demixing the modifier component during the curing process. In particular, thermoset/thermoplastic resin blends have been investigated extensively because they can provide improved toughness without significantly reducing the overall stiffness. ,− …”

Section: Introductionmentioning

confidence: 99%

Dissipative Particle Dynamics Simulation for Reaction-Induced Phase Separation of Thermoset/Thermoplastic Blends

Kawagoe,

Kikugawa,

Shirasu

et al. 2024

J. Phys. Chem. B

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Reaction-induced phase separation occurs during the curing reaction when a thermoplastic resin is dissolved in a thermoset resin, which enables toughening of the thermoset resin. As resin properties vary significantly depending on the morphology of the phase-separated structure, controlling the morphology formation is of critical importance. Reaction-induced phase separation is a phenomenon that ranges from the chemical reaction scale to the mesoscale dynamics of polymer molecules. In this study, we performed curing simulations using dissipative particle dynamics (DPD) coupled with a reaction model to reproduce reactioninduced phase separation. The curing reaction properties of the thermoset resin were determined by ab initio quantum chemical calculations, and the DPD parameters were determined by all-atom molecular dynamics simulations. This enabled mesoscopic simulations, including reactions that reflect the intrinsic material properties. The effects of the thermoplastic resin concentration, molecular weight, and curing conditions on the phase-separation morphology were evaluated, and the cure shrinkage and stiffness of each cured resin were confirmed to be consistent with the experimental trends. Furthermore, the local strain field under tensile deformation was visualized, and the inhomogeneous strain field caused by the phase-separated structures of two resins with different stiffnesses was revealed. These results can aid in understanding the toughening properties of thermoplastic additives at the molecular level.

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Relationship between polymerization kinetics and microstructure in reactive polymer blends: An Avrami-Erofeev study

Cited by 8 publications

References 46 publications

Solid thermal explosion of autocatalytic material based on nonisothermal experiments: Multistage evaluations for 2,2′‐azobis(2‐methylpropionitrile) and 1,1′‐azobis(cyclohexanecarbonitrile)

Solid thermal explosion of autocatalytic material based on nonisothermal experiments: Multistage evaluations for 2,2′‐azobis(2‐methylpropionitrile) and 1,1′‐azobis(cyclohexanecarbonitrile)

Kinetics Analysis of Iron Oxide Reduction by Solid Carbon in HIsmelt Ironmaking Slag

Dissipative Particle Dynamics Simulation for Reaction-Induced Phase Separation of Thermoset/Thermoplastic Blends

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