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Influence of carbon black with different polar groups on the solvent N-methylmorpholine N-oxide / Hong Jin in COLORATION TECHNOLOGY, Vol. 137, N° 5 (10/2021)
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Titre : Influence of carbon black with different polar groups on the solvent N-methylmorpholine N-oxide Type de document : texte imprimé Auteurs : Hong Jin, Auteur ; Alex Kwasi Kumi, Auteur ; Yumei Zhang, Auteur Année de publication : 2021 Article en page(s) : p. 503-511 Note générale : Bibliogr. Langues : Anglais (eng) Catégories : Dispersions et suspensions
Dynamique moléculaire
Fibres cellulosiques
Granulométrie
N-méthylmorpholine N-oxyde
Noir de carbone
Rayonnement ultraviolet
solvants
Stabilité chimiqueIndex. décimale : 667.3 Teinture et impression des tissus Résumé : To confirm the effect of the surface property of carbon black (CB) on the lyocell process and the chemical stability of the solvent N-methylmorpholine N-oxide (NMMO), molecular dynamics simulation and ultraviolet tests were performed to investigate the interaction between aqueous NMMO solution and CB surfaces with different polar groups. The hydrophobic interaction between the O2 atom of NMMO and the unmodified CB surface increased with an increase in NMMO concentration. The interaction improved the dispersion of CB in aqueous NMMO solution, but this effect was not sufficient to prevent the aggregation between CB particles. Modifying the CB surface with a 1%-3% carboxyl or amino group produced a stronger electrostatic interaction between the polar groups and the solvent molecules; however, the carboxyl group had a significant influence on the chemical stability of NMMO. The amino group can realise the stable dispersion of CB in aqueous NMMO solutions without affecting the chemical stability of NMMO, which would be the best choice for preparation of functional lyocell fibre. Note de contenu : - EXPERIMENTAL : MD simulations - Materials - Dispersion process and particle size analysis - UV testing of the recovered solvent
- RESULTS AND DISCUSSION : Interactions between the unmodified CB surface and aqueous NMMO solution - Influence of the surface groups upon the hydrophilic property of CB - Influence of different types of CB on NMMO recovery in the lyocell process
- Table 1 : Composition details of the aqueous N-methylmorpholine N-oxide (NMMO) solution models after optimisation
- Table 2 : Parameters of carbon black (CB samples used for dope
- Table 3 : X-ray photoelectron spectroscopy results for the three types of carbon black (CB) particles and CB surface models in simulation
- Table 4 : Average interaction energy between the molecules and the carbon black (CB) surface and its composition (kcal mol-1)
- Table 5 : Interaction energies between the water cluster and the carbon black (CB) surfaces and its composition (kcal mol-1)DOI : https://doi.org/10.1111/cote.12544 En ligne : https://onlinelibrary.wiley.com/doi/epdf/10.1111/cote.12544 Format de la ressource électronique : Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=36507
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