Theoretical study on the reaction of triallyl isocyanurate in the UV radiation cross-linking of polyethylene

Zhao, Hong; Chen, Junqi; Zhang, Hui; Shang, Yan; Wang, Xuan; Han, Baozhong; Li, Ze-Sheng

doi:10.1039/c7ra05535h

Cited by 22 publications

(17 citation statements)

References 29 publications

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“…These PE radicals can react quickly with each other to produce a cross-linked network XLPE, through which mechanical properties and heat resistance are significantly enhanced, and MAH can also be grafted to the PE chain [26]. The radical reactions are induced by Bp, and the cross-linking rate is graded by TAIC [34]. Compared with the process of thermal initiated grafting with peroxide as initiator, photoinitiated grafting provides higher grafting efficiency [10].…”

Section: Resultsmentioning

confidence: 99%

Theoretical Study on the Grafting Reaction of Maleimide to Polyethylene in the UV Radiation Cross-Linking Process

et al. 2018

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Theoretical investigation of the reaction of graft maleimide to polyethylene in the UV radiation cross-linking process is accomplished at the B3LYP/6-311+G(d,p) level for high-voltage cable insulation materials. The reaction potential energy surface of the nine reaction channels is identified. The results show that the N,N′-ethylenedimaleimide can connect two 4-methylheptane molecules and act as the cross-linking agent. The calculated reaction potential barrier of forming 4-methylheptane radical by maleimide is higher than that of maleic anhydride. The study is expected to provide a basis for optimizing the UV radiation cross-linking polyethylene process and development more than 500 kV high-voltage cable insulation materials in practical applications.

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Section: Resultsmentioning

confidence: 99%

Theoretical Study on the Grafting Reaction of Maleimide to Polyethylene in the UV Radiation Cross-Linking Process

et al. 2018

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“…The ultraviolet-initiated polyethylene crosslinking process is a new power cable manufacturing technology developed in recent years, the principle of which is to make use of the photon-initiators to form free radicals by irradiating ultraviolet (UV) light through the transparent polyethylene insulating layer which is just extruded out in a melting state. The hydrogen atom in polyethylene macromolecular chains is captured by photon-initiators after being excited by UV irradiation, and then the bonding bridges are generated between polyethylene macromolecular chains to form three-dimensional network structures [ 17 , 18 , 19 ]. The UV-initiated polyethylene crosslinking technology, with the advantages of high crosslinking speed, low investment cost in small area, and long continuous processing time, presents multiple selectivity of auxiliary crosslinkers to develop polyethylene-based cable materials with excellent insulation performances.…”

Section: Introductionmentioning

confidence: 99%

Water-Tree Resistability of UV-XLPE from Hydrophilicity of Auxiliary Crosslinkers

et al. 2020

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The water-resistant characteristics of ultraviolet crosslinked polyethylene (UV-XLPE) are investigated specially for the dependence on the hydrophilicities of auxiliary crosslinkers, which is significant to develop high-voltage insulating cable materials. As auxiliary crosslinking agents of polyethylene, triallyl isocyanurate (TAIC), trimethylolpropane trimethacrylate (TMPTMA), and N,N′-m-phenylenedimaleimide (HAV2) are individually adopted to prepared XLPE materials with the UV-initiation crosslinking technique, for the study of water-tree resistance through the accelerating aging experiments with water blade electrode. The stress–strain characteristics and dynamic viscoelastic properties of UV-XLPE are tested by the electronic tension machine and dynamic thermomechanical analyzer. Monte Carlo molecular simulation is used to calculate the interaction parameters and mixing energy of crosslinker/water binary systems to analyze the compatibility between water and crosslinker molecules. Water-tree experiments verify that XLPE-TAIC represents the highest ability to inhibit the growth of water-trees, while XLPE-HAV2 shows the lowest resistance to water-trees. The stress–strain and viscoelastic properties show that the concentration of molecular chains connecting the adjacent lamellae in amorphous phase of XLPE-HAV2 is significantly higher than that of XLPE-TAIC and XLPE-TMPTMA. The molecular simulation results demonstrate that TAIC/water and TMPTMA/water binary systems possess a higher hydrophilicity than that of HAV2/water, as manifested by their lower interaction parameters and mixing free energies. The auxiliary crosslinkers can not only increase the molecular density of amorphous polyethylene between lamellae to inhibit water-tree growth, but also prevent water molecules at insulation defects from agglomerating into micro-water beads by increasing the hydrophilicity of auxiliary crosslinkers, which will evidently reduce the damage of micro-water beads on the amorphous phase in UV-XLPE. The better compatibility of TAIC and water molecules is the dominant reason accounting for the excellent water resistance of XLPE-TAIC.

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“…Quantum chemistry calculations of the PE crosslinking reaction initiated by BP under UV irradiation have shown that the produced XLPE comprises the carbonyl, phenyl, alkoxy, and heteroatomic groups [21,22]. The crosslinking mechanism of the auxiliary crosslinking agent has been revealed that Triallyl isocyanurate (TAIC) could accelerate the accomplishment of crosslinking reactions from minutes to seconds [23]. The quantum mechanics calculations can lay a theoretical foundation for exploring the mechanism and application of the photon-initiated crosslinking reaction.…”

Section: Introductionmentioning

confidence: 99%

UV-Initiated Crosslinking Reaction Mechanism and Electrical Breakdown Performance of Crosslinked Polyethylene

Sun

Wang

2020

Polymers

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The ultraviolet (UV) irradiation crosslinking reactions of polyethylene and the electronic properties of photo-initiators and reaction products are theoretically investigated by the first-principles calculations. The crosslinked polyethylene (XLPE) materials are prepared in experiments that employ the UV-initiated crosslinking technique with different photon-initiation systems. Infrared spectrum and the alternating current dielectric breakdown strength of UV-initiated XLPE are tested to explore the effect of reaction products on the breakdown characteristics in combination with the electron structure calculations. The theoretical calculations indicate that the 4-hydroxybenzophenone laurate, which is compatible with polyethylene, can effectively initiate crosslinking reactions of polyethylene molecules under UV photon excitation and will produce reaction by-products from carbonyl radicals; as a macromolecular auxiliary crosslinker, the monomer or homopolymer of dioleyl-2,2′,4,4′-tetraallyl isocyanurate can form chemical connections with multiple polyethylene molecules acting as a crosslinking node in a photon-initiated reaction process. The carbonyl, hydroxyl, or ester groups of reaction by-products are capable of capturing hot electrons to prevent polyethylene molecules from impact ionization, and thus will increase the breakdown electric field. The macromolecular auxiliary crosslinker and the macromolecular photon initiator as well as its reaction by-product can convert the energy of their captured high-energy electrons into heat, which can act as a voltage stabilizer. The molecule characterization of infrared spectra demonstrates that the characteristic absorption peaks of the carbonyl in the macromolecular photon initiator and the allyl in the macromolecular auxiliary crosslinking agent are gradually decreasing in intensity as the crosslinking reaction proceeds, which is consistent with the conclusion from theoretical calculations. Compared with the small molecular photon-initiation system generally used in the photon-initiated crosslinking process, the higher dielectric breakdown field of XLPE being prepared by utilizing a macromolecular photon-initiation system is in good agreement with the calculation results of electronic affinity and ionization potential. The consistent results of the experiments and first-principles calculations elucidate the fundamental mechanism of the UV-initiation crosslinking technique and suggest a prospective routine to improve the insulation strength for developing high-voltage XLPE insulating materials.

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Theoretical study on the reaction of triallyl isocyanurate in the UV radiation cross-linking of polyethylene

Abstract: Herein, a theoretical investigation on the reaction potential energy surface information of triallyl isocyanurate (TAIC) in the UV radiation cross-linking process of polyethylene is conducted at the B3LYP/6-311+G(d,p) level for the production of high voltage cable insulation materials.

Cited by 22 publications

References 29 publications

Theoretical Study on the Grafting Reaction of Maleimide to Polyethylene in the UV Radiation Cross-Linking Process

Theoretical Study on the Grafting Reaction of Maleimide to Polyethylene in the UV Radiation Cross-Linking Process

Water-Tree Resistability of UV-XLPE from Hydrophilicity of Auxiliary Crosslinkers

UV-Initiated Crosslinking Reaction Mechanism and Electrical Breakdown Performance of Crosslinked Polyethylene

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