Probing polarity of flame retardants and correlating with interaction between flame retardants and PET fiber

Chang, Shun-Hsyung; Zhou, Xiang; Xing, Zhiqi; Tu, Tianmin

doi:10.1016/j.jcis.2017.03.047

Cited by 17 publications

(15 citation statements)

References 41 publications

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“…To quantitatively describe the interaction between flame retardant and PET fiber, two thermodynamic parameters from our previous study 16 were utilized (see Table 4): partition coefficient K, which is the ratio of its concentration in PET fibers and in water, and the change of standard Gibbs free energy of the transfer of flame retardants from water to PET fibers ΔGt 0(FR,H2O→PET), which is calculated from K and serves as the thermodynamic presentation of the intermolecular interaction. Two favorable linear fitting curves of δ with ln K (R 2 = 0.8878) and ΔGt 0(FR,H2O→PET) (R 2 = 0.8879) were obtained as shown in Figure 4, indicating the solubility parameter is an efficient estimation of the flame retardant–PET interaction.…”

Section: Resultsmentioning

confidence: 99%

“…To interpret the thermodynamic parameters of the five phosphorous flame retardants in the flame retardant processing of PET textiles, correlation analysis between solubility parameters and thermodynamics parameters was made. This study of solubility parameters and the previous about E T (30) 16 might be of great help to the molecular design while developing flame retardants for PET textiles.…”

mentioning

confidence: 92%

“…1–7 Generally, flame retardants could be a monomer during polymerization of PET 8 or directly incorporated into the PET matrix as additives. 9,10 For flame retardant PET textiles, there is another smarter and more efficient approach, 11–16 in which flame retardants with low aqueous solubility could be stably dispersed in water with the aid of dispersant and then adsorb on the hydrophobic PET fiber. In our previous study, 16 the adsorption of five phosphorous flame retardants on PET fibers has been thermodynamically studied and the empirical polarity parameter E T (30) of the flame retardants was determined, where the uptake ratio of flame retardants on PET is dependent on their intermolecular interaction and E T (30) parameters were found to be linearly correlated with two thermodynamic parameters—partition coefficient K and the change of standard Gibbs free energy of the transfer of flame retardants from water to PET fiber ΔGt 0(FR,H2O→PET).…”

mentioning

confidence: 99%

“…9,10 For flame retardant PET textiles, there is another smarter and more efficient approach, 11–16 in which flame retardants with low aqueous solubility could be stably dispersed in water with the aid of dispersant and then adsorb on the hydrophobic PET fiber. In our previous study, 16 the adsorption of five phosphorous flame retardants on PET fibers has been thermodynamically studied and the empirical polarity parameter E T (30) of the flame retardants was determined, where the uptake ratio of flame retardants on PET is dependent on their intermolecular interaction and E T (30) parameters were found to be linearly correlated with two thermodynamic parameters—partition coefficient K and the change of standard Gibbs free energy of the transfer of flame retardants from water to PET fiber ΔGt 0(FR,H2O→PET). Herein, inspired by the general utilization of solubility parameters in interpreting the interaction of dispersed dyes with various fibers in the dyeing process 17,18 and polymer-additive interaction in the field of polymer science, 19–21 we attempted to interpret the interaction of the same five phosphorus flame retardants with PET fibers by solubility parameters, with the aim to provide more simple and efficient estimations for the interactions.…”

mentioning

confidence: 99%

“…In this article, because of the lack of data about phosphorus groups in the group contribution method, solubility parameters of the five phosphorous flame retardants 16 (see Table 1) were computed by MD simulations, three of which were phosphaphenanthrenes and the other were two phosphine oxides. Flame retardant HBCD, which has been successfully utilized as a flame retardant for PET textiles, was computed to be compared with that from the group contribution method, acting as validation of the modeling.…”

mentioning

confidence: 99%

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Computing solubility parameters of phosphorous flame retardants by molecular dynamics and correlating their interactions with poly(ethylene terephthalate)

Chang

Zhou

Xing

2017

Textile Research Journal

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The solubility parameter is a reliable way to study the adsorption phenomenon quantitatively for a wide range of systems. Herein, solubility parameters of five selected phosphorous flame retardants were computed by molecular dynamics (MD) simulations, whose phosphorous groups were not available in the group contribution method, with the aim to address the intermolecular interactions of flame retardants with poly(ethylene terephthalate) (PET) while transferring from an aqueous bath to PET textiles. To verify the reliability of the MD strategy, the solubility parameter of flame retardant 1,2,5,6,9,10-hexabromocyclododecane (HBCD) was computed by group contribution and MD as well. The obtained solubility parameters of the five phosphorous flame retardants were found to have a linear correlation with their thermodynamic parameters, which describes their adsorption on PET fibers and, cited from our previous publication, partition coefficient K and the change of standard Gibbs free energy of the transfer of flame retardants from water to PET fiber ΔGt 0(FR,H2O→PET), suggesting that flame retardants with lower solubility parameter in this study are more likely to adsorb on PET fibers. Compared with the polarity parameter ET(30) which was determined in our previous publication, the solubility parameter behaved similarly in describing the interaction between flame retardants and PET fibers during the adsorption process.

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Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 92%

mentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

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Computing solubility parameters of phosphorous flame retardants by molecular dynamics and correlating their interactions with poly(ethylene terephthalate)

Chang

Zhou

Xing

2017

Textile Research Journal

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Effects of graphene nanosheets decorated by cerium stannate on the enhancement of flame retardancy and mechanical performances of flexible polyurethane foam composites

Wang

Jia

et al. 2021

Polymers for Advanced Techs

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As one of the most used polyurethane, flexible polyurethane foam (FPUF) still confronted highly flammable problems. However, current flame retardant employed in FPUF deteriorated the other utilization performances, such as mechanical properties. In this work, cerium stannate decorated graphene nanosheets (GNS@Ce2Sn2O7, GCSO) was prepared to fabricate flame retardant FPUF composites. Compared to pure FPUF, the tensile strength and average compression strength of FPUF composites accomplished 100 and 412% increase, respectively, while the average rebound was basically maintained. In contrast to pure FPUF, total heat release and total smoke production of FPUF composites displayed a 42.2 and 75.1% reduction, respectively. Furthermore, the released toxic gases (such as, CO2, CO and NOx) during combustion were greatly decreased. These results were due to the catalytic and barrier effect of GCSO promoting the formation a high‐quality char residue with a compact, intact and dense morphology. Therefore, it provides a facile method to fabricate FPUF composites with advanced comprehensive performance for the furniture field.

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Enhancing flame retardancy of polyphenylene sulfide nanocomposite fibers by the synergistic effect of catalytic crosslinking and physical barrier

Zhu

et al. 2023

Journal of Polymer Science

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Protective clothing with fascinating flame‐retardant features is urgently needed to reduce the large amount of smoke and heat released from combustion during fire protection. In this study, polyphenylene sulfide (PPS) nanocomposite resin with efficient flame retardancy is obtained by mixing a low content of graphene and Fe2O3 via a twin screw extruder. Followed by, the PPS/G/Fe2O3 fibers are fabricated via melting spinning. The PPS/G/Fe2O3 nanocomposite resin with 0.3 wt% of graphene and 1.0 wt% of Fe2O3 performs the best during the flame retardant tests, giving a shorter self‐extinguishing time, lower peak heat release rate (22.3 kW/m2), total heat release (11.3 MJ/m2) and total smoke production (1.32 m2) than others. The pyrolysis analysis indicates that a large number of products with fused rings are formed in the residual char layer, which effectively inhibit the release of heat and smoke and thus improve the flame retardancy of PPS nanocomposite resin. In addition, the flame retardant textile weaved with PPS/G/Fe2O3 fibers gives a high‐limiting oxygen index (40.1%), zero after‐flame time, no droppings and small damaged length (114 mm in warp and 98 mm in weft direction) during the standard flame retardancy tests provided by a third‐party independent inspection organization. The fabrication of PPS fibers with effective and enhanced synergistic flame retardancy through melting spinning is facile and scalable, providing a promising strategy for advanced protective clothing.

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Probing polarity of flame retardants and correlating with interaction between flame retardants and PET fiber

Cited by 17 publications

References 41 publications

Computing solubility parameters of phosphorous flame retardants by molecular dynamics and correlating their interactions with poly(ethylene terephthalate)

Computing solubility parameters of phosphorous flame retardants by molecular dynamics and correlating their interactions with poly(ethylene terephthalate)

Effects of graphene nanosheets decorated by cerium stannate on the enhancement of flame retardancy and mechanical performances of flexible polyurethane foam composites

Enhancing flame retardancy of polyphenylene sulfide nanocomposite fibers by the synergistic effect of catalytic crosslinking and physical barrier

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