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The roles of polymer relaxation phenomena, aqueous dye solubility and the physical properties of water in the mechanism of adsorption of a disperse dye on poly(ethylene terephthalate) fibres : Part 3 physical properties of water and water-derived fibre properties / Stephen M. Burkinshaw in COLORATION TECHNOLOGY, Vol. 139, N° 1 (02/2023)
[article]
Titre : The roles of polymer relaxation phenomena, aqueous dye solubility and the physical properties of water in the mechanism of adsorption of a disperse dye on poly(ethylene terephthalate) fibres : Part 3 physical properties of water and water-derived fibre properties Type de document : texte imprimé Auteurs : Stephen M. Burkinshaw, Auteur ; Kangsheng Liu, Auteur Année de publication : 2023 Article en page(s) : p. 79-96 Note générale : Bibliogr. Langues : Anglais (eng) Catégories : Colorants -- Adsorption
Colorants -- Solubilité
Dynamique moléculaire
Relaxation moléculaire
Solutions aqueuses (chimie)
Teinture -- Fibres textiles synthétiquesIndex. décimale : 667.3 Teinture et impression des tissus Résumé : In the absence of published information regarding the temperature dependency of water-derived poly(ethylene terephthalate) fibre properties, the findings reported for the thermally regulated interactions between water and 100% amorphous poly(ethylene terephthalate) materials were interpreted from the perspective of the amorphous domains that reside within semi-crystalline polyester textile fibres. This analysis suggests that the pronounced temperature dependent uptake of a commercial grade disperse dye on poly(ethylene terephthalate) fabric achieved during an aqueous dyeing process at temperatures between 30 and 130°C is the likely result of the combination of three separate, but inherently inter-related, thermally activated phenomena, namely, polymer structural relaxation, in which polymer glass transition assumes a dominant role, dissolution of disperse dye in the aqueous dyebath, as well as various water–fibre interactions, in the guise of water sorption, water molecule diffusivity, water-induced swelling and water-induced plasticisation. Although thermally regulated macromolecular relaxation processes adopt the principal role in dye uptake, temperature dependent dye solubility and water-derived fibre properties nevertheless likely provide crucially important supportive roles. Note de contenu : - WATER : Water saturation vapour pressure
- POLY(ETHYLENE TEREPHTHALATE) FIBRES : Water-PET polymer interactions
- CONTRIBUTION OF WATER-DERIVED FIBRE PHYSICAL PROPERTIES TO DYE UPTAKE : Combination of dye solubility and water-derived fibre properties
- Table 1 : Saturation moisture regain of some textile fibresDOI : https://doi.org/10.1111/cote.12635 En ligne : https://onlinelibrary.wiley.com/doi/epdf/10.1111/cote.12635 Format de la ressource électronique : Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=39207
in COLORATION TECHNOLOGY > Vol. 139, N° 1 (02/2023) . - p. 79-96[article]Réservation
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Code-barres Cote Support Localisation Section Disponibilité 24084 - Périodique Bibliothèque principale Documentaires Disponible Theoretical and practical aspects of polar interactions between hide collagen and aqueous media in curing and tanning / Alan E. Russell in JOURNAL OF THE SOCIETY OF LEATHER TRADES' CHEMISTS, Vol. 54, N° 12 (12/1970)
[article]
Titre : Theoretical and practical aspects of polar interactions between hide collagen and aqueous media in curing and tanning Type de document : texte imprimé Auteurs : Alan E. Russell, Auteur ; Desmond R. Cooper, Auteur Année de publication : 1970 Article en page(s) : p. 417-429 Note générale : Bibliogr. Langues : Anglais (eng) Catégories : Additifs
Cuir -- Séchage
Dynamique moléculaire
Imperméabilisation
Tannage végétalIndex. décimale : 675.2 Préparation du cuir naturel. Tannage Résumé : Recent fundamental studies in these laboratories have been concerned with the range of relatively weak, reversible interactions, generally termed "polar" interactions, which occur between hide collagen and its aqueous environment. These studies have provided further insight into the factors governing this reactivity. The interaction has wide significance in determining solubilities and properties of solutions, the solution structure of proteins as well as the interaction of hide collagen with technological materials such as vegetable tannins, dyestuffs and water-proofing agents. Hence, greater understanding of the basic processes involved is a prerequisite for rationali-sation and improvement in the technological operations of curing and tanning. In this review, the mechanism of polar interaction indicated in fundamental studies is outlined and some areas of practical application discussed, including the use of polar additives as penetration assistants in vegetable tannage and the application of polar molecules carrying long-chain hydrocarbon structures in waterproofing treatments for leather. Note de contenu : - BASIC STUDIES : Nature of non-covalent interactions in solution - Factors in collagen stabilisation - Factors in solvent lyotropic activity
- PRACTICAL SIGNIFICANCE OF POLAR INTERACTIONS
- POLAR INTERACTIONS IN PENETRATION-ASSISTED VEGETABLE TANNAGE : Polar binding of waterproofing agents
- Table 1 : Relative lyotropic activities of a range of polar compoundsPermalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=35670
in JOURNAL OF THE SOCIETY OF LEATHER TRADES' CHEMISTS > Vol. 54, N° 12 (12/1970) . - p. 417-429[article]Réservation
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Code-barres Cote Support Localisation Section Disponibilité 007089 - Périodique Bibliothèque principale Documentaires Disponible Theoretical and practical aspects of polar interactions between hide colllagen and aqueous media in curing and tanning / Alan E. Russell in JOURNAL OF THE SOCIETY OF LEATHER TECHNOLOGISTS & CHEMISTS (JSLTC), Vol. 54, N° 12 (12/1970)
[article]
Titre : Theoretical and practical aspects of polar interactions between hide colllagen and aqueous media in curing and tanning Type de document : texte imprimé Auteurs : Alan E. Russell, Auteur ; Desmond R. Cooper, Auteur Année de publication : 1970 Article en page(s) : p. 417-430 Note générale : Bibliogr. Langues : Anglais (eng) Catégories : Collagène
Cuir -- Séchage
Dynamique moléculaire
Imperméabilisants
Solutions aqueuses (chimie)
Tannage
Tannage végétalIndex. décimale : 675 Technologie du cuir et de la fourrure Résumé : Recent fundamental studies in these laboratories have been concerned with the range of relatively weak, reversible interactions, generally ternied “polar” interactions, which occur between hide collagen and its aqueous environment. These studies have provided further insight into the factors governing this reactivity. The interaction has wide significance in determining solubilities and properties of solutions, the solution structure of proteins as well as the interaction of hide collagen with technological materials such as vegetable tannins, dyestuffs and water-proofing agents. Hence, greater understanding of the basic processes involved is a prerequisite for rationalisation and improvement in the technological operations of curing and tanning. In this review, the mechanism of polar interaction indicated in fundamental studies is outlined and some areas of practical application discussed, including the use of polar additives as penetration assistants in vegetable tannage and the application of polar molecules carrying longchain hydrocarbon structures in waterproofing treatments for leather. Note de contenu : - Basic Studies : Nature of non-covalent interactions in solution - Factors in collagen stabilisation - Factors in solvent lyotropic activity
- Practical significance of polar interactions
- Polar interactions in penetration-assisted vegetable tannage : Polar binding of waterproofing agents
- Table 1 : Relative lyotropic activities of a range of polar compoundsEn ligne : https://drive.google.com/file/d/1Ny4AwQvsWlqWxgYedqC_-LTtSBxObfXv/view?usp=drive [...] Format de la ressource électronique : Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=40709
in JOURNAL OF THE SOCIETY OF LEATHER TECHNOLOGISTS & CHEMISTS (JSLTC) > Vol. 54, N° 12 (12/1970) . - p. 417-430[article]Theoretical study of the interaction energy of benzodifuranone dye molecule rings / Yi-Zhen Zhan in COLORATION TECHNOLOGY, Vol. 133, N° 1 (02/2017)
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Titre : Theoretical study of the interaction energy of benzodifuranone dye molecule rings Type de document : texte imprimé Auteurs : Yi-Zhen Zhan, Auteur ; Xue Zhao, Auteur ; Wei Wang, Auteur Année de publication : 2017 Article en page(s) : p. 50–56 Note générale : Bibliogr. Langues : Anglais (eng) Catégories : Benzène Le benzène est un composé organique de formule brute C6H6, également noté Ph-H, φ-H, ou encore ϕ-H. Il appartient à la famille des hydrocarbures aromatiques monocycliques, car le cycle formé par les six atomes de carbone est plan et comporte six électrons délocalisés.
Dans les conditions usuelles, le benzène est un liquide incolore, d'odeur caractéristique, volatil, très inflammable et cancérogène.
C'est un solvant très utilisé dans l'industrie chimique, et un précurseur important pour la synthèse chimique de médicaments, de plastiques, de caoutchouc synthétique ou encore de colorants. Il est produit industriellement par l'industrie pétrochimique essentiellement par reformage catalytique, hydrodésalkylation du toluène et vapocraquage.
Benzodifuranone
Colorants dispersésCatégorie de colorants très peu solubles dans l'eau, utilisés à l'origine comme colorants pour l'acétate, et qui généralement sont appliqués sous forme de suspensions aqueuses de faible concentration.Les colorants dispersés sont largement utilisés dans la teinture de la plupart des fibres manufacturées, surtout le polyester.
Dynamique moléculaire
Fonctionnelles densitéLa théorie de la fonctionnelle de la densité (pour Density Functional Theory, sous-entendu électronique : DFT) constitue au début du XXIe siècle l'une des méthodes les plus utilisées dans les calculs quantiques de la structure électronique de la matière (atomes, molécules, solides) aussi bien en physique de la matière condensée qu'en chimie quantique. La DFT trouve ses origines dans le modèle développé par Llewellyn Thomas et Enrico Fermi à la fin des années 1920.
Solidité de la couleur
Teinture -- Fibres textilesIndex. décimale : 667.3 Teinture et impression des tissus Résumé : The aim of this paper was to reveal the relationship between the interaction energy of benzodifuranone dyes and dyeing performance indices such as dyeing temperature and colour fastness. Dimer models of benzene–benzene, benzodifuranone–benzene, and benzodifuranone–benzodifuranone configuration were set up, and geometry optimisation and interaction energy were calculated using a density functional theory ?B97XD, 6-311G++ (d, p) basis set. The calculation results showed that the benzodifuranone molecule had better coplanarity. The molecular interaction energy of benzene–benzene, benzodifuranone–benzene, and benzodifuranone–benzodifuranone rings decreased at first, and then increased with growth in the distance between the rings, the lowest energy occurring at a distance of about 3.25–3.75 Å. The dispersion force affected the interaction energy of benzodifuranone–benzene rings most, while both dispersion force and electrostatic force influenced the interaction energy of benzodifuranone–benzodifuranone rings. These calculation and experimental results revealed that a greater energy was needed to destroy the dye–fibre and dye–dye interaction energy of benzodifuranone-based disperse dyes. Note de contenu : - EXPERIMENTAL : Dye application - Colour fastness - Density functional theory calculations - Molecular interaction energy model
- RESULTS AND DISCUSSION : Benzodifuranone molecule optimisation - Benzene-benzene interaction energy - Benzodifuranone-benzene interaction energy - Benzodifuranone-benzodifuranone interaction energy - Optimised configuration interaction energyDOI : 10.1111/cote.12251 En ligne : https://drive.google.com/file/d/17aT2OSno3tpYi2mrBofamof-7y6DzJnT/view?usp=drive [...] Format de la ressource électronique : Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=27880
in COLORATION TECHNOLOGY > Vol. 133, N° 1 (02/2017) . - p. 50–56[article]Réservation
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Code-barres Cote Support Localisation Section Disponibilité 18636 - Périodique Bibliothèque principale Documentaires Disponible Thermal stability of leather from a microscopic view / Zhong Anhua in JOURNAL OF THE SOCIETY OF LEATHER TECHNOLOGISTS & CHEMISTS (JSLTC), Vol. 97, N° 3 (05-06/2013)
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Titre : Thermal stability of leather from a microscopic view Type de document : texte imprimé Auteurs : Zhong Anhua ; Jiang Xuewei ; Hu Yuqin ; Du Cong Année de publication : 2013 Article en page(s) : p. 121-124 Note générale : Bibliogr. Langues : Anglais (eng) Catégories : Collagène
Cuirs et peaux -- Analyse
Dynamique moléculaire
Molécules -- Modèles
Stabilité thermiqueIndex. décimale : 675 Technologie du cuir et de la fourrure Résumé : In this article molecular dynamics simulations were adopted to establish the molecular model of lcgd type I collagen at different temperatures with TINKER software. Through the diagrams of the RMSD value variation curve and corresponding time trajectory sampling of the molecular model, we could see that type I collagen's stability decreased and its structure changed with the temperature rising and it is found that the higher the temperature was, the more apparent the structure changed. For example, RMSD value reached 5A at 380K, conformational space turned to an intermediate folded bending condition which is different from its natural state. Thus, we provided a new and efficient way of researching the natural leather's thermal stability. En ligne : https://drive.google.com/file/d/1jITTPUyVs2DHY0TMCEoPsoy_91AMlAWt/view?usp=drive [...] Format de la ressource électronique : Permalink : https://e-campus.itech.fr/pmb/opac_css/index.php?lvl=notice_display&id=18841
in JOURNAL OF THE SOCIETY OF LEATHER TECHNOLOGISTS & CHEMISTS (JSLTC) > Vol. 97, N° 3 (05-06/2013) . - p. 121-124[article]Réservation
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Code-barres Cote Support Localisation Section Disponibilité 15193 - Périodique Bibliothèque principale Documentaires Disponible La thermodynamique moléculaire / Agilio A. H. Pàdua in L'ACTUALITE CHIMIQUE, N° 382-383 (02-03/2014)
PermalinkTowards a theory of adhesion with predictive power / I. R. Peterson in SURFACE COATINGS INTERNATIONAL. PART B : COATINGS TRANSACTIONS, Vol. 88, B1 (03/2005)
PermalinkUnderstanding the role of silane pretreatments in an organic coating system. Part 2: a study of molecular dynamics simulation / Xao-Xin Wang in JOURNAL OF COATINGS TECHNOLOGY AND RESEARCH, Vol. 16, N° 4 (07/2019)
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