Low-melting phthalonitrile thermosetting monomers with siloxane- and phosphate bridges

Bulgakov, Boris A.; Babkin, Alexander V.; Dzhevakov, Pavel B.; Bogolyubov, A. A.; Сулимов, А. В.; Кепман, А. В.; Kolyagin, Yu. G.; Guseva, Daria V.; Rudyak, Vladimir Yu.; Chertovich, Alexander V.

doi:10.1016/j.eurpolymj.2016.09.013

Cited by 62 publications

(45 citation statements)

References 36 publications

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“…Previously, 15 we have studied systems of various sizes and at various cooling rates. It was shown that systems of 160 monomers are large enough to give consistent results on T g .…”

Section: A Molecular Dynamics Simulationsmentioning

confidence: 99%

“…New synthetic approaches to the development of heat-resistant thermosets, including those based on phthalonitriles, were investigated experimentally for several decades and are currently well represented in literature. [12][13][14][15] However, most of the synthesized phthalonitrile monomers have a high curing temperature and quite narrow and inconvenient processing temperature range. Recent experiments have shown that modification of phthalonitrile monomers with siloxane and phosphate bridges drastically reduces the resins' T g , and thus expands their processing window.…”

Section: Introductionmentioning

confidence: 99%

“…Recent experiments have shown that modification of phthalonitrile monomers with siloxane and phosphate bridges drastically reduces the resins' T g , and thus expands their processing window. 12,15 However, the experimental investigation of this class of phthalonitriles is still difficult due to time and cost limitations, and the need of taking into account the dependence of the reactivity of monomers on their structure, as well as changes in molecular mobility during the reaction.…”

Section: Introductionmentioning

confidence: 99%

“…In this paper, we overcome these restrictions by analysing the relaxation of intermolecular vectors of complex phthalonitrile monomers. In our recent paper, 15 we have predicted T g for a series of low-melting phthalonitrile bulk samples, including ones which are not synthesized yet. These estimations of T g were in good agreement with experimental results in terms of the correct relative T g position and similar overestimation values for all samples.…”

Section: Introductionmentioning

confidence: 99%

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Systematic study of glass transition in low-molecular phthalonitriles: Insight from computer simulations

Guseva

Chertovich

Rudyak

2016

The Journal of Chemical Physics

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Phthalonitrile compounds with Si bridges were recently suggested for producing thermosetting polymer composites with reduced T and thus expanded processing range. The detailed experimental investigation of this class of phthalonitriles is still difficult due to development time and costs limitations and the need to take into account the structural changes during the crosslinking. In this paper, we try to overcome these limitations using computer simulations. We performed full-atomistic molecular dynamics simulations of various phthalonitrile compounds to understand the influence of molecular structure on the bulk glass temperature T. Two molecular properties affect T of the resulting bulk compound: the size of the residue and the length of the Si bridge. The larger residues lead to higher Ts, while compounds with longer Si bridges have lower Ts. We have also studied relaxation mechanisms involved in the classification of the samples. Two different factors influence the relaxation mechanisms: energetic, which is provided by the rigidity of molecules, and entropic, connected with the available volume of the conformational space of the monomer.

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“…Previously, 15 we have studied systems of various sizes and at various cooling rates. It was shown that systems of 160 monomers are large enough to give consistent results on T g .…”

Section: A Molecular Dynamics Simulationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Systematic study of glass transition in low-molecular phthalonitriles: Insight from computer simulations

Guseva

Chertovich

Rudyak

2016

The Journal of Chemical Physics

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“…The phthalonitrile (PN) resins are high‐performance thermosetting resins, having high thermal and oxidative stability, lower water absorption, and flame retardancy . However, the difficulties in curing the PN monomers are the major drawback of these resins.…”

Section: Introductionmentioning

confidence: 99%

Curing behavior and properties of benzoxazine‐co‐self‐promoted phthalonitrile polymers

Dayo

Wang

et al. 2018

J of Applied Polymer Sci

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A new high‐performance copolymer was successfully obtained via concerted catalysis polymerization of mono‐functional benzoxazine (P‐a) and self‐promoted 4‐aminophenoxy phthalonitrile (4‐APN) monomers. The FTIR and DSC curves of the P‐a/4‐APN in different blend ratios suggested that the monomer blends can be completely cured without the addition of curing additive. The P‐a/4‐APN copolymers were cured at relatively lower curing temperatures and time. The TGA curves revealed that the P‐a/4‐APN copolymers have good thermal stability in terms of T5, T10, and char yield. A gradual increase in the glass transition temperature (Tg) values and decline were seen in the storage modulus as the loading of 4‐APN was increased from 10 to 30 wt % in the copolymer. The SEM analyses showed that copolymer's fracture surface is dendritic, showing the stress has been dispersed to a certain extent. The study revealed that the poly(P‐a/4‐APN) copolymer have much better thermal stabilities than the poly(P‐a), and the prepared copolymer can be used as a high‐performance thermosetting resin. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46578.

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Recent Advances and Prospects in High‐Performance Bio‐Based Phthalonitrile Resins

Bulgakov,

Schubert

2024

Adv Funct Materials

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Phthalontirile resins are renowned as the most heat‐resistant polymeric materials and exhibit exceptional performance under harsh conditions. Consequently, phthalonitrile thermosets offer the potential to substitute metals in hot parts, thereby broadening the operational limits of plastic materials in high‐tech applications. Given their unique combination of properties, phthalonitriles have garnered significant demand across sectors such as aerospace, automotive, electronics, and renewable energy. With industrial production and application of phthalonitriles recently initiated in several countries, questions regarding the sustainability of these materials have naturally arisen. Thermosetting materials, owing to their highly cross‐linked architecture, cannot be recycled, necessitating the adoption of synthetic methods utilizing bio‐feedstock raw materials and green protocols to mitigate their environmental impact. The present prospective review summarizes and analyzes the current state‐of‐the‐art in bio‐based phthalonitrile resins and discusses potential directions for research and development of new application areas, with a focus on the challenge of maintaining high‐performance levels during the transition to bio‐based raw materials.

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Low-melting phthalonitrile thermosetting monomers with siloxane- and phosphate bridges

Cited by 62 publications

References 36 publications

Systematic study of glass transition in low-molecular phthalonitriles: Insight from computer simulations

Systematic study of glass transition in low-molecular phthalonitriles: Insight from computer simulations

Curing behavior and properties of benzoxazine‐co‐self‐promoted phthalonitrile polymers

Recent Advances and Prospects in High‐Performance Bio‐Based Phthalonitrile Resins

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