Effect of disperse dye structure on dye sorption onto PLA fiber

David Karst; Digvijay Nama; Yiqi Yang

doi:10.1016/j.jcis.2007.01.037

Effect of disperse dye structure on dye sorption onto PLA fiber

David Karst, Digvijay Nama, Yiqi Yang

Textiles, Merchandising, and Fashion Design

Research output: Contribution to journal › Article › peer-review

48 Scopus citations

Abstract

The effect of the structure of various disperse dyes on their percentage sorption onto polylactide (PLA) is explained using molecular modeling. The interaction energies between the dyes and PLA have been calculated, and a linear equation has been developed to predict the percentage sorption on PLA based on the dye-PLA interaction energy. The predicted percentage sorption for a dye is shown to agree with its experimentally obtained percentage sorption on commercial PLA fabric and on PLA fiber extruded in our laboratory. Within the dyes, the functional groups that form the strongest interactions with PLA are {single bond}N(C₂H₄OCOCH₃)₂, {single bond}(CO)₂NC₃H₆OCH₃, {single bond}SO₂NHC₆H₅, {single bond}NO₂, {single bond}CN(NH)C₆H₄, and {single bond}CH(CO)₂C₆H₄, and the groups that form the weakest interactions with PLA are {single bond}Br and {single bond}Cl.

Original language	English (US)
Pages (from-to)	106-111
Number of pages	6
Journal	Journal of Colloid and Interface Science
Volume	310
Issue number	1
DOIs	https://doi.org/10.1016/j.jcis.2007.01.037
State	Published - Jun 1 2007

Keywords

Adsorption
Disperse dyes
Functional groups
Intermolecular interactions
Molecular modeling
PLA
Poly(lactic acid)
Polylactide

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Biomaterials
Surfaces, Coatings and Films
Colloid and Surface Chemistry

Access to Document

10.1016/j.jcis.2007.01.037

Cite this

@article{b37888be891f464f9386afaff5db9cf6,

title = "Effect of disperse dye structure on dye sorption onto PLA fiber",

abstract = "The effect of the structure of various disperse dyes on their percentage sorption onto polylactide (PLA) is explained using molecular modeling. The interaction energies between the dyes and PLA have been calculated, and a linear equation has been developed to predict the percentage sorption on PLA based on the dye-PLA interaction energy. The predicted percentage sorption for a dye is shown to agree with its experimentally obtained percentage sorption on commercial PLA fabric and on PLA fiber extruded in our laboratory. Within the dyes, the functional groups that form the strongest interactions with PLA are {single bond}N(C2H4OCOCH3)2, {single bond}(CO)2NC3H6OCH3, {single bond}SO2NHC6H5, {single bond}NO2, {single bond}CN(NH)C6H4, and {single bond}CH(CO)2C6H4, and the groups that form the weakest interactions with PLA are {single bond}Br and {single bond}Cl.",

keywords = "Adsorption, Disperse dyes, Functional groups, Intermolecular interactions, Molecular modeling, PLA, Poly(lactic acid), Polylactide",

author = "David Karst and Digvijay Nama and Yiqi Yang",

note = "Funding Information: The authors are indebted to the University of Nebraska–Lincoln Agricultural Research Division for financial support, and funds through the Hatch Act are gratefully acknowledged. The authors also thank Dr. Joan Laughlin for the Laughlin fellowship for D. Karst. This work was completed utilizing the Research Computing Facility of the University of Nebraska–Lincoln. ",

year = "2007",

month = jun,

day = "1",

doi = "10.1016/j.jcis.2007.01.037",

language = "English (US)",

volume = "310",

pages = "106--111",

journal = "Journal of Colloid and Interface Science",

issn = "0021-9797",

publisher = "Academic Press Inc.",

number = "1",

}

TY - JOUR

T1 - Effect of disperse dye structure on dye sorption onto PLA fiber

AU - Karst, David

AU - Nama, Digvijay

AU - Yang, Yiqi

N1 - Funding Information: The authors are indebted to the University of Nebraska–Lincoln Agricultural Research Division for financial support, and funds through the Hatch Act are gratefully acknowledged. The authors also thank Dr. Joan Laughlin for the Laughlin fellowship for D. Karst. This work was completed utilizing the Research Computing Facility of the University of Nebraska–Lincoln.

PY - 2007/6/1

Y1 - 2007/6/1

N2 - The effect of the structure of various disperse dyes on their percentage sorption onto polylactide (PLA) is explained using molecular modeling. The interaction energies between the dyes and PLA have been calculated, and a linear equation has been developed to predict the percentage sorption on PLA based on the dye-PLA interaction energy. The predicted percentage sorption for a dye is shown to agree with its experimentally obtained percentage sorption on commercial PLA fabric and on PLA fiber extruded in our laboratory. Within the dyes, the functional groups that form the strongest interactions with PLA are {single bond}N(C2H4OCOCH3)2, {single bond}(CO)2NC3H6OCH3, {single bond}SO2NHC6H5, {single bond}NO2, {single bond}CN(NH)C6H4, and {single bond}CH(CO)2C6H4, and the groups that form the weakest interactions with PLA are {single bond}Br and {single bond}Cl.

AB - The effect of the structure of various disperse dyes on their percentage sorption onto polylactide (PLA) is explained using molecular modeling. The interaction energies between the dyes and PLA have been calculated, and a linear equation has been developed to predict the percentage sorption on PLA based on the dye-PLA interaction energy. The predicted percentage sorption for a dye is shown to agree with its experimentally obtained percentage sorption on commercial PLA fabric and on PLA fiber extruded in our laboratory. Within the dyes, the functional groups that form the strongest interactions with PLA are {single bond}N(C2H4OCOCH3)2, {single bond}(CO)2NC3H6OCH3, {single bond}SO2NHC6H5, {single bond}NO2, {single bond}CN(NH)C6H4, and {single bond}CH(CO)2C6H4, and the groups that form the weakest interactions with PLA are {single bond}Br and {single bond}Cl.

KW - Adsorption

KW - Disperse dyes

KW - Functional groups

KW - Intermolecular interactions

KW - Molecular modeling

KW - PLA

KW - Poly(lactic acid)

KW - Polylactide

UR - http://www.scopus.com/inward/record.url?scp=34147098594&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34147098594&partnerID=8YFLogxK

U2 - 10.1016/j.jcis.2007.01.037

DO - 10.1016/j.jcis.2007.01.037

M3 - Article

C2 - 17346722

AN - SCOPUS:34147098594

SN - 0021-9797

VL - 310

SP - 106

EP - 111

JO - Journal of Colloid and Interface Science

JF - Journal of Colloid and Interface Science

IS - 1

ER -

Effect of disperse dye structure on dye sorption onto PLA fiber

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this