Abstract:3-(2-Aminophenoxy)-phthalonitrile was designed and synthesized. Measurements show that the monomer has higher cure reactivity and can cure at lower temperatures in a short time and with a higher conversion, giving a better thermal stability.
“…Phthalonitrile resins are formed from melt by radical polymerization reaction, accompanied by more complex reactions of triazine and phthalocyanine formation . In this paper, curing process with multiple reactions, that mimics actual chemical reaction pathways, is implemented at the mesoscale level .…”
Section: Methodology Developmentmentioning
confidence: 99%
“…In experiments the ratios between reaction rates of these reactions can be controlled by chemical structure of reactants and temperature regime (but are still unknown) . In simulations two‐stage process is implied to simulate the actual technological curing procedure.…”
Section: Methodology Developmentmentioning
confidence: 99%
“…In Ref. , the DPD method was suggested for simulation of crosslinking process of phthalonitrile monomers with specific reactions of isoindoline and triazine formation . In this paper, we generalized the scheme from refs.…”
The influence of crosslinking process on the resulting structural properties of phthalonitrile matrices is studied through theoretical and experimental investigations. Multiscale procedure for generating fully atomistic phthalonitrile networks with simulation of radical polymerization reactions and specific reactions of triazine formation at the mesoscale level is presented and applied to the case of phthalonitrile resin based on low-melting monomer bis(3-(3,4-dicyanophenoxy)phenyl)phenyl phosphate. The structural properties of the generated networks of various conversions and with various amount of triazine are analyzed using the dissipative particle dynamics and atomistic molecular dynamics. Triazine-containing networks are much sparser in comparison with triazine-free ones in terms of simple cycle size. The values of density, coefficients of linear thermal expansion and glass transition temperatures (T g s) agree with obtained experimental data, and are very similar for different crosslinking mechanisms. The dependence of T g on conversion correlates well with the sol-gel transition in network structure.
“…Phthalonitrile resins are formed from melt by radical polymerization reaction, accompanied by more complex reactions of triazine and phthalocyanine formation . In this paper, curing process with multiple reactions, that mimics actual chemical reaction pathways, is implemented at the mesoscale level .…”
Section: Methodology Developmentmentioning
confidence: 99%
“…In experiments the ratios between reaction rates of these reactions can be controlled by chemical structure of reactants and temperature regime (but are still unknown) . In simulations two‐stage process is implied to simulate the actual technological curing procedure.…”
Section: Methodology Developmentmentioning
confidence: 99%
“…In Ref. , the DPD method was suggested for simulation of crosslinking process of phthalonitrile monomers with specific reactions of isoindoline and triazine formation . In this paper, we generalized the scheme from refs.…”
The influence of crosslinking process on the resulting structural properties of phthalonitrile matrices is studied through theoretical and experimental investigations. Multiscale procedure for generating fully atomistic phthalonitrile networks with simulation of radical polymerization reactions and specific reactions of triazine formation at the mesoscale level is presented and applied to the case of phthalonitrile resin based on low-melting monomer bis(3-(3,4-dicyanophenoxy)phenyl)phenyl phosphate. The structural properties of the generated networks of various conversions and with various amount of triazine are analyzed using the dissipative particle dynamics and atomistic molecular dynamics. Triazine-containing networks are much sparser in comparison with triazine-free ones in terms of simple cycle size. The values of density, coefficients of linear thermal expansion and glass transition temperatures (T g s) agree with obtained experimental data, and are very similar for different crosslinking mechanisms. The dependence of T g on conversion correlates well with the sol-gel transition in network structure.
“…As an important class of high performance thermosetting matrix, phthalonitrile resins exhibited many excellent properties, such as high glass transition temperature ( T g ), outstanding thermal and mechanical properties, low water absorptivity, and superior flame and chemical corrosion resistance . However, due to the high crosslinking density and high melting point, phthalonitrile resins exhibited brittleness and narrow processing window, which strongly limited its further applications.…”
“…Recently, it has attracted more attention and has been applied in aviation, aerospace, boat construction and other elds. [6][7][8][9][10] Carbon ber (C f ) is widely used as a reinforcing phase in matrix composite materials because of its high strength, high modulus, and low density, among other advantages. [11][12][13][14] Therefore, the study of the performance at the interface between the PN resin and carbon bers is a particularly important, although underappreciated, area of research.…”
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