Abstract
Multi-walled carbon nanotubes (MWCNTs) were chemically modified with octadecyl amine or polyethyleneglycol and then used as solid phase adsorbents for the adsorption from aqueous solution of different polyhalogenated organic pollutants: pentachlorophenol, 2,4,5-trichlorophenol, 3,3′,4,4′-tetrachlorobiphenyl and 2,2′,5,5′-tetrabromobiphenyl from model aqueous solutions. The effects of temperature were measured and thus the Gibbs energy, enthalpy, and entropy of adsorption were calculated. In general, the Gibbs energy of adsorption was negative for the target analytes, indicating that adsorption was spontaneous at all temperatures. On the other hand, the values of the enthalpy and entropy of adsorption were significantly dependent on the type of modified MWCNTs as well as the analytes used. Computer modeling was used to simulate the adsorption process and calculate the Gibbs energies of adsorption. The results showed moderate agreement with the experimentally determined values.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Abdel Salam, M., Burk, R.: Solid phase extraction and determination of poly halogenated pollutants from freshwater using novel chemically modified multi-walled carbon nanotubes using gas chromatography. J. Sep. Sci. 32, 1060–1068 (2009)
Abdel Salam, M., Burk, R.: Novel application of modified multi-walled carbon nanotubes as a solid-phase extraction adsorbent for the determination of polyhalogenated organic pollutants in aqueous solution. Anal. Bioanal. Chem. 390, 2159–2170 (2008)
Abdel Salam, M., Burk, R.: Thermodynamics of pentachlorophenol adsorption from aqueous solutions by oxidized multi-walled carbon nanotubes. Appl. Surf. Sci. 255, 1975–1981 (2008)
Cai, Y., Mou, S., Lu, Y.: Multi-walled carbon nanotubes as a solid-phase extraction adsorbent for the determination of chlorophenols in environmental water samples. J. Chromatogr. A 1081, 245–247 (2005)
Chen, C., Li, X., Zhao, D., Tan, X., Wang, X.: Adsorption kinetic, thermodynamic and desorption studies of Th(IV) on oxidized multi-wall carbon nanotubes. Colloids Surf. A 302, 449–454 (2007)
Lu, C., Chung, Y.L., Chang, K.F.: Adsorption of trihalomethanes from water with carbon nanotubes. Water Res. 39, 1183–1189 (2005)
Fang, G.Z., He, J.X., Wang, S.: Multiwalled carbon nanotubes as sorbent for on-line coupling of solid-phase extraction to high-performance liquid chromatography for simultaneous determination of 10 sulfonamides in eggs and pork. J. Chromatogr., A 1127, 12–17 (2006)
Li, Y.H., Di, Z., Ding, J., Luan, Z., Zhu, Y.: Adsorption thermodynamic, kinetic and desorption studies of Pb2+ on carbon nanotubes. Water Res. 39, 605–609 (2005)
Li, Q., Mahendra, S., Lyon, D.Y., Brunet, L., Liga, M.V., Li, D., Alvarez, P.J.J.: Antimicrobial nanomaterials for water disinfection and microbial control: potential applications and implications. Water Res. 42, 4591–4602 (2008)
Li, Y.P., Cao, H.B., Zhang, Y.: Reductive dehalogenation of haloacetic acids by hemoglobin-loaded carbon nanotube electrode. Water Res. 41, 197–205 (2007)
Tuzen, M., Soylak, M.: Multiwalled carbon nanotubes for speciation of chromium in environmental samples. J. Hazard. Mater. 147, 219–225 (2007)
Ye, C., Gong, Q.M., Lu, F.P., Liang, J.: Adsorption of uraemic toxins on carbon nanotubes. Sep. Purif. Technol. 58, 2–6 (2007)
Zhou, Q., Xiao, J., Wang, W., Liu, G., Shi, Q., Wang, J.: Determination of atrazine and simazine in environmental water samples using multiwalled carbon nanotubes as the adsorbents for preconcentration prior to high performance liquid chromatography with diode array detector. Talanta 68, 1309–1315 (2006)
Navidpour, L., Shadnia, H., Shafaroodi, H., Amini, M., Dehpourd, A.R., Shafiee, A.: Design, synthesis, and biological evaluation of substituted 2-alkylthio-1,5-diarylimidazoles as selective COX-2 inhibitors. Bioorg. Med. Chem. 15, 1976–1982 (2007)
MOE: Molecular Operating Environment. Chemical Computing Group, Montreal (2008)
Dewar, M.J.S., Rzepa, H.S.: Ground states of molecules. 39. MNDO results for molecules containing beryllium. J. Am. Chem. Soc. 100, 777–784 (1978)
Stewart, J.J.P.: MOPAC2009, Stewart Computational Chemistry, Colorado Springs, CO, USA, HTTP://OpenMOPAC.net (2008)
Halgren, T.A.: Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 17, 490–519 (1996)
Halgren, T.A.: VI. MMFF94s option for energy minimization studies. J. Comput. Chem. 20, 720–729 (1999)
Dewar, M.J.S., Ford, G.P.: Ground states of molecules. 44 MINDO/3 calculations of absolute heat capacities and entropies of molecules without internal rotations. J. Am. Chem. Soc. 99, 7822–7829 (1977)
Klamt, A., Schüümann, G.: COSMO: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J. Chem. Soc. Perkin Trans. 2, 799–805 (1993)
Giesen, D.J., Gu, M.Z., Cramer, C.J., Truhlar, D.G.: A universal organic solvation model. J. Org. Chem. 61, 8720–8721 (1996)
Dewar, M.J.S., Zoebisch, E.G., Healy, E.F., Stewart, J.J.P.: Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model. J. Am. Chem. Soc. 107, 3902–3909 (1985)
Author information
Authors and Affiliations
Corresponding author
Electronic Supplementary Material
10953_2010_9502_MOESM1_ESM.doc
Supplementary Photographs for: Experimental and theoretical thermodynamic studies of the adsorption of polyhalogenated organic compounds from aqueous solution by chemically modified multi-walled carbon nanotubes. (DOC 1.083 kB)
Rights and permissions
About this article
Cite this article
Abdel Salam, M., Shadnia, H., Wright, J.S. et al. Experimental and Theoretical Thermodynamic Studies of the Adsorption of Polyhalogenated Organic Compounds from Aqueous Solution by Chemically Modified Multi-walled Carbon Nanotubes. J Solution Chem 39, 385–397 (2010). https://doi.org/10.1007/s10953-010-9502-4
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10953-010-9502-4