Adsorption characteristics of diclofenac and sulfamethoxazole to graphene oxide in aqueous solution

Seung Woo Nam; Chanil Jung; Hang Li; Miao Yu; Joseph R.V. Flora; Linkel K. Boateng; Namguk Her; Kyung Duk Zoh; Yeomin Yoon

doi:10.1016/j.chemosphere.2015.03.061

Adsorption characteristics of diclofenac and sulfamethoxazole to graphene oxide in aqueous solution

Seung Woo Nam, Chanil Jung, Hang Li, Miao Yu, Joseph R.V. Flora, Linkel K. Boateng, Namguk Her, Kyung Duk Zoh, Yeomin Yoon

Department of Environmental Science & Engineering

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

240 Scopus citations

Abstract

The adsorptive properties of graphene oxide (GO) were characterized, and the binding energies of diclofenac (DCF) and sulfamethoxazole (SMX) on GO adsorption were predicted using molecular modeling. The adsorption behaviors of DCF and SMX were investigated in terms of GO dosage, contact time, and pH. Additionally, the effects of sonication on GO adsorption were examined. GO adsorption involves "oxygen-containing functional groups" (OCFGs) such as COOH, which exhibit negative charges over a wide range of pH values (pH 3-11). DCF (-18.8kcalmol^-1) had a more favorable binding energy on the GO surface than SMX (-15.9kcalmol^-1). Both DCF and SMX were removed from solution (adsorbed to GO), up to 35% and 12%, respectively, within 6h, and an increase in GO dosage enhanced the removal of DCF. Electrostatic repulsion occurred between dissociated DCF/SMX and the more negatively charged GO at basic pH (>pKa). The sonication of GO significantly improved the removal of DCF (75%) and SMX (30%) due to dispersion of exfoliated GO particles and the reduction of OCFGs on the GO surface. Both DCF and SMX in the adsorption isotherm were explained well by the Freundlich model. The results of this study can be used to maximize the adsorption capacities of micropollutants using GO in water treatment processes.

Original language	English
Pages (from-to)	20-26
Number of pages	7
Journal	Chemosphere
Volume	136
DOIs	https://doi.org/10.1016/j.chemosphere.2015.03.061
State	Published - 2015

Bibliographical note

Funding Information:
This research was supported by a Grant (code 14IFIP-B087385-01 ) from Industrial Facilities & Infrastructure Research Program funded by Ministry of Land, Infrastructure and Transport of Korean government . This research was also supported by the International Research & Development Program of the National Research Foundation of Korea (NRF), funded by the Ministry of Education, Science and Technology (MEST) of Korea ( NRF-2012K1A3A1A12054908 ).

Publisher Copyright:
© 2015 Elsevier Ltd.

Keywords

Adsorption
Diclofenac
Graphene oxide
Molecular modeling
Sonication
Sulfamethoxazole

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10.1016/j.chemosphere.2015.03.061

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title = "Adsorption characteristics of diclofenac and sulfamethoxazole to graphene oxide in aqueous solution",

abstract = "The adsorptive properties of graphene oxide (GO) were characterized, and the binding energies of diclofenac (DCF) and sulfamethoxazole (SMX) on GO adsorption were predicted using molecular modeling. The adsorption behaviors of DCF and SMX were investigated in terms of GO dosage, contact time, and pH. Additionally, the effects of sonication on GO adsorption were examined. GO adsorption involves {"}oxygen-containing functional groups{"} (OCFGs) such as COOH, which exhibit negative charges over a wide range of pH values (pH 3-11). DCF (-18.8kcalmol-1) had a more favorable binding energy on the GO surface than SMX (-15.9kcalmol-1). Both DCF and SMX were removed from solution (adsorbed to GO), up to 35% and 12%, respectively, within 6h, and an increase in GO dosage enhanced the removal of DCF. Electrostatic repulsion occurred between dissociated DCF/SMX and the more negatively charged GO at basic pH (>pKa). The sonication of GO significantly improved the removal of DCF (75%) and SMX (30%) due to dispersion of exfoliated GO particles and the reduction of OCFGs on the GO surface. Both DCF and SMX in the adsorption isotherm were explained well by the Freundlich model. The results of this study can be used to maximize the adsorption capacities of micropollutants using GO in water treatment processes.",

keywords = "Adsorption, Diclofenac, Graphene oxide, Molecular modeling, Sonication, Sulfamethoxazole",

author = "Nam, {Seung Woo} and Chanil Jung and Hang Li and Miao Yu and Flora, {Joseph R.V.} and Boateng, {Linkel K.} and Namguk Her and Zoh, {Kyung Duk} and Yeomin Yoon",

note = "Funding Information: This research was supported by a Grant (code 14IFIP-B087385-01 ) from Industrial Facilities & Infrastructure Research Program funded by Ministry of Land, Infrastructure and Transport of Korean government . This research was also supported by the International Research & Development Program of the National Research Foundation of Korea (NRF), funded by the Ministry of Education, Science and Technology (MEST) of Korea ( NRF-2012K1A3A1A12054908 ). Publisher Copyright: {\textcopyright} 2015 Elsevier Ltd.",

year = "2015",

doi = "10.1016/j.chemosphere.2015.03.061",

language = "English",

volume = "136",

pages = "20--26",

journal = "Chemosphere",

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publisher = "Elsevier Ltd.",

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T1 - Adsorption characteristics of diclofenac and sulfamethoxazole to graphene oxide in aqueous solution

AU - Nam, Seung Woo

AU - Jung, Chanil

AU - Li, Hang

AU - Yu, Miao

AU - Flora, Joseph R.V.

AU - Boateng, Linkel K.

AU - Her, Namguk

AU - Zoh, Kyung Duk

AU - Yoon, Yeomin

N1 - Funding Information: This research was supported by a Grant (code 14IFIP-B087385-01 ) from Industrial Facilities & Infrastructure Research Program funded by Ministry of Land, Infrastructure and Transport of Korean government . This research was also supported by the International Research & Development Program of the National Research Foundation of Korea (NRF), funded by the Ministry of Education, Science and Technology (MEST) of Korea ( NRF-2012K1A3A1A12054908 ). Publisher Copyright: © 2015 Elsevier Ltd.

PY - 2015

Y1 - 2015

N2 - The adsorptive properties of graphene oxide (GO) were characterized, and the binding energies of diclofenac (DCF) and sulfamethoxazole (SMX) on GO adsorption were predicted using molecular modeling. The adsorption behaviors of DCF and SMX were investigated in terms of GO dosage, contact time, and pH. Additionally, the effects of sonication on GO adsorption were examined. GO adsorption involves "oxygen-containing functional groups" (OCFGs) such as COOH, which exhibit negative charges over a wide range of pH values (pH 3-11). DCF (-18.8kcalmol-1) had a more favorable binding energy on the GO surface than SMX (-15.9kcalmol-1). Both DCF and SMX were removed from solution (adsorbed to GO), up to 35% and 12%, respectively, within 6h, and an increase in GO dosage enhanced the removal of DCF. Electrostatic repulsion occurred between dissociated DCF/SMX and the more negatively charged GO at basic pH (>pKa). The sonication of GO significantly improved the removal of DCF (75%) and SMX (30%) due to dispersion of exfoliated GO particles and the reduction of OCFGs on the GO surface. Both DCF and SMX in the adsorption isotherm were explained well by the Freundlich model. The results of this study can be used to maximize the adsorption capacities of micropollutants using GO in water treatment processes.

AB - The adsorptive properties of graphene oxide (GO) were characterized, and the binding energies of diclofenac (DCF) and sulfamethoxazole (SMX) on GO adsorption were predicted using molecular modeling. The adsorption behaviors of DCF and SMX were investigated in terms of GO dosage, contact time, and pH. Additionally, the effects of sonication on GO adsorption were examined. GO adsorption involves "oxygen-containing functional groups" (OCFGs) such as COOH, which exhibit negative charges over a wide range of pH values (pH 3-11). DCF (-18.8kcalmol-1) had a more favorable binding energy on the GO surface than SMX (-15.9kcalmol-1). Both DCF and SMX were removed from solution (adsorbed to GO), up to 35% and 12%, respectively, within 6h, and an increase in GO dosage enhanced the removal of DCF. Electrostatic repulsion occurred between dissociated DCF/SMX and the more negatively charged GO at basic pH (>pKa). The sonication of GO significantly improved the removal of DCF (75%) and SMX (30%) due to dispersion of exfoliated GO particles and the reduction of OCFGs on the GO surface. Both DCF and SMX in the adsorption isotherm were explained well by the Freundlich model. The results of this study can be used to maximize the adsorption capacities of micropollutants using GO in water treatment processes.

KW - Adsorption

KW - Diclofenac

KW - Graphene oxide

KW - Molecular modeling

KW - Sonication

KW - Sulfamethoxazole

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DO - 10.1016/j.chemosphere.2015.03.061

M3 - Article

C2 - 25911329

AN - SCOPUS:84983097780

SN - 0045-6535

VL - 136

SP - 20

EP - 26

JO - Chemosphere

JF - Chemosphere

ER -

Adsorption characteristics of diclofenac and sulfamethoxazole to graphene oxide in aqueous solution

Abstract

Bibliographical note

Keywords

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