2007
DOI: 10.1016/j.jcis.2007.01.037
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Effect of disperse dye structure on dye sorption onto PLA fiber

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Cited by 55 publications
(50 citation statements)
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“…9. Application of the correlation for other type of disperse dyes may be impractical as reported by Karst et al (2007). The explanation on molecular parameters affecting the dyeability of disperse dyes on polyester was also given by several researchers.…”
Section: This Concept Was Later U S E D B Y K a R S T And Y A N G T O Cmentioning
confidence: 95%
See 1 more Smart Citation
“…9. Application of the correlation for other type of disperse dyes may be impractical as reported by Karst et al (2007). The explanation on molecular parameters affecting the dyeability of disperse dyes on polyester was also given by several researchers.…”
Section: This Concept Was Later U S E D B Y K a R S T And Y A N G T O Cmentioning
confidence: 95%
“…The substituted groups on the dye molecule that formed strong interaction with PLA were -N(C 2 H 4 OCOCH 3 ) 2 , -(CO) 2 NC 3 H 6 OCH 3 , -SO 2 NHC 6 H 5 , -NO 2 , -CN(NH)C 6 H 4 and -CH(CO) 2 C 6 H 4 , while those with -Br and -Cl were among the weakest. The dyes which interacted strongly with PLA would have more negative interaction energy with PLA, bringing a high sorption on the fiber (Karst et al, 2007). …”
Section: This Concept Was Later U S E D B Y K a R S T And Y A N G T O Cmentioning
confidence: 99%
“…[48][49][50] A molecular dynamics (MD) simulation was then performed on this structure using a constant volume/constant temperature ensemble at 383 K. This temperature was selected because experimental sorption of disperse dyes onto PLA fiber occurred at this temperature. 3,5,10,12 The MD simulation was performed for 500,000 steps with a time step of 10 215 s and with an equilibration time of 500 3 10 212 s. The final snapshot of the MD simulation was selected for the next energy minimization, because at this point in the MD simulation, the potential energy oscillated within 6150 kcal/mol. An energy minimization was then performed on this structure using the conjugate gradient method and a convergence criteria of 0.1 kcal/(mol Å ).…”
Section: Building Of Pla Structurementioning
confidence: 99%
“…3,5,10,12 To calculate the DU ads-PLA values for these dyes, the procedure described in the previous section was followed. The temperature used for the MD simulations was 383 K, since experimental sorption of the disperse dyes onto PLA fiber occurred at this temperature.…”
Section: Relation Between Interaction Energy and Sorption Equilibriummentioning
confidence: 99%
“…However, PLA fiber is most commonly dyed with disperse dyes. One major concern with PLA is that only a limited number of disperse dyes have been found to have good sorption on PLA at the appropriate dyeing temperature [13][14][15][16][17].…”
Section: Introductionmentioning
confidence: 99%