Molecular-scale study of salicylate adsorption and competition with catechol at goethite/aqueous solution interface

Journal of Physical Chemistry C

Volumn 117, Issue 20, 2013, Pages 10597-10606

  Yang, Yanli ^a   Duan, Jinming ^b   Jing, Chuanyong ^a  

^a RESEARCH CENTER FOR ECO ENVIRONMENTAL SCIENCES   (China)

^b XI'AN UNIVERSITY OF ARCHITECTURE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION CAPACITIES; BATCH ADSORPTION EXPERIMENTS; COMPETITIVE ADSORPTION; COMPLEMENTARY TECHNIQUES; INNER SPHERE COMPLEXES; INTERFACIAL COMPLEXES; NATURAL ORGANIC MATTERS; OUTER-SPHERE COMPLEXES;

CARBOXYLATION; DENSITY FUNCTIONAL THEORY; ELECTROSTATICS; IONIC STRENGTH; PHENOLS;

ADSORPTION;

EID: 84878156275     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4027578     Document Type: Article

References (36)

1. Thomas, H. Occurrence, Fate, and Removal of Pharmaceutical Residues in the Aquatic Environment: A Review of Recent Research Data Toxicol. Lett. 2002, 131, 5-17
2. Borah, J. M.; Das, M. R.; Mahiuddin, S. Influence of Anions on the Adsorption Kinetics of Salicylate onto α-Alumina in Aqueous Medium J. Colloid Interface Sci. 2007, 316, 260-267
3. Yost, E. C.; Tejedor-Tejedor, M. I.; Anderson, M. A. In Situ CIR-FTIR Characterization of Salicylate Complexes at the Goethite/Aqueous Solution Interface Environ. Sci. Technol. 1990, 24, 822-828
4. Rusch, B.; Hanna, K.; Humbert, B. Sorption and Transport of Salicylate in a Porous Heterogeneous Medium of Silica Quartz and Goethite Environ. Sci. Technol. 2010, 44, 2447-2453
5. 3+ in Solution and on Mineral Surfaces J. Phys. Chem. A 2004, 108, 11580-11590
6. Axe, K.; VejgaÌŠrden, M.; Persson, P. An ATR-FTIR Spectroscopic Study of the Competitive Adsorption between Oxalate and Malonate at the Water-Goethite Interface J. Colloid Interface Sci. 2006, 294, 31-37
7. Biber, M. V.; Stumm, W. An in-Situ ATR-FTIR Study: The Surface Coordination of Salicylic Acid on Aluminum and Iron(III) Oxides Environ. Sci. Technol. 1994, 28, 763-768
8. Tunesi, S.; Anderson, M. A. Surface Effects in Photochemistry: An in Situ Cylindrical Internal Reflection-Fourier Transform Infrared Investigation of the Effect of Ring Substituents on Chemisorption onto Titania Ceramic Membranes Langmuir 1992, 8, 487-495
9. 5 from Aqueous Solutions Spectrochim. Acta, Part A 2000, 56, 557-565
10. 2 Nanoparticles with Bidentate Benzene Derivatives J. Phys. Chem. C 2009, 113, 12645-12652
11. Das, M. R.; Sahu, O. P.; Borthakur, P. C.; Mahiuddin, S. Kinetics and Adsorption Behaviour of Salicylate on α-Alumina in Aqueous Medium Colloids Surf., A 2004, 237, 23-31
12. Molis, E.; Barrès, O.; Marchand, H.; Sauzéat, E.; Humbert, B.; Thomas, F. Initial Steps of Ligand-Promoted Dissolution of Gibbsite Colloids Surf., A 2000, 163, 283-292
13. Lindegren, M.; Persson, P. Competitive Adsorption Involving Phosphate and Benzenecarboxylic Acids on Goethite-Effects of Molecular Structures J. Colloid Interface Sci. 2010, 343, 263-270
14. Thomas, J. E.; Kelley, M. J. A Study of Competitive Adsorption of Organic Molecules onto Mineral Oxides Using DRIFTS J. Colloid Interface Sci. 2010, 342, 474-478
15. Norén, K.; Persson, P. Co-Adsorption of Ga(III) and EDTA at the Water-α-FeOOH Interface: Spectroscopic Evidence of the Formation of Ternary Surface Complexes J. Phys. Chem. C 2010, 114, 16547-16555
16. Simanova, A. A.; Loring, J. S.; Persson, P. Formation of Ternary Metal-Oxalate Surface Complexes on α-FeOOH Particles J. Phys. Chem. C 2011, 115, 21191-21198
17. Xing, B.; Pignatello, J. J. Competitive Sorption between 1,3-Dichlorobenzene or 2,4-Dichlorophenol and Natural Aromatic Acids in Soil Organic Matter Environ. Sci. Technol. 1998, 32, 614-619
18. Ding, X.; Song, X.; Boily, J.-F. Identification of Fluoride and Phosphate Binding Sites at FeOOH Surfaces J. Phys. Chem. C 2012, 116, 21939-21947
19. Aquino, A. J. A.; Tunega, D.; Haberhauer, G.; Gerzabek, M. H.; Lischka, H. Quantum Chemical Adsorption Studies on the (110) Surface of the Mineral Goethite J. Phys. Chem. C 2007, 111, 877-885
20. Yang, Y.; Yan, W.; Jing, C. Dynamic Adsorption of Catechol at the Goethite/Aqueous Solution Interface: A Molecular-Scale Study Langmuir 2012, 28, 14588-14597
21. Ha, J.; Hyun Yoon, T.; Wang, Y.; Musgrave, C. B.; Brown, J. G. E. Adsorption of Organic Matter at Mineral/Water Interfaces: 7. ATR-FTIR and Quantum Chemical Study of Lactate Interactions with Hematite Nanoparticles Langmuir 2008, 24, 6683-6692
22. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A. Gaussian 09, revision B.01; Gaussian, Inc.: Wallingford, CT, 2010.
23. NIST Computational Chemistry Comparison and Benchmark Database; NIST Standard Reference Database Number 101, Release 15b; Johnson, R. D., III, Ed.; August 2011. http://cccbdb.nist.gov/.
24. 2 Surfaces: Thermodynamic, DFT, and EXAFS Interpretations J. Phys. Chem. C 2009, 113, 21679-21686
25. Kwon, K. D.; Kubicki, J. D. Molecular Orbital Theory Study on Surface Complex Structures of Phosphates to Iron Hydroxides: Calculation of Vibrational Frequencies and Adsorption Energies Langmuir 2004, 20, 9249-9254
26. Hedberg, J.; Henriquez, J.; Baldelli, S.; Johnson, C. M.; Leygraf, C. Initial Atmospheric Corrosion of Zinc Exposed to Formic Acid, Investigated by in Situ Vibrational Sum Frequency Spectroscopy and Density Functional Theory Calculations J. Phys. Chem. C 2008, 113, 2088-2095
27. Sun, H.; Lee, H. H.; Blakey, I.; Dargaville, B.; Chirila, T. V.; Whittaker, A. K.; Smith, S. C. Multiple Hydrogen-Bonded Complexes Based on 2-Ureido-4[1H]-pyrimidinone: A Theoretical Study J. Phys. Chem. B 2011, 115, 11053-11062
28. Evanko, C. R.; Dzombak, D. A. Influence of Structural Features on Sorption of NOM-Analogue Organic Acids to Goethite Environ. Sci. Technol. 1998, 32, 2846-2855
29. Liu, F.-F.; Wang, S.-G.; Fan, J.-L.; Ma, G.-H. Adsorption of Natural Organic Matter Surrogates from Aqueous Solution by Multiwalled Carbon Nanotubes J. Phys. Chem. C 2012, 116, 25783-25789
30. Humbert, B.; Alnot, M.; Quilès, F. Infrared and Raman Spectroscopical Studies of Salicylic and Salicylate Derivatives in Aqueous Solution Spectrochim. Acta, Part A 1998, 54, 465-476
31. Mardis, K. L.; Brune, B. J.; Vishwanath, P.; Giorgis, B.; Payne, G. F.; Gilson, M. K. Intramolecular versus Intermolecular Hydrogen Bonding in the Adsorption of Aromatic Alcohols onto an Acrylic Ester Sorbent J. Phys. Chem. B 2000, 104, 4735-4744
32. Brune, B. J.; Koehler, J. A.; Smith, P. J.; Payne, G. F. Correlation between Adsorption and Small Molecule Hydrogen Bonding Langmuir 1999, 15, 3987-3992
33. Glemza, A. J.; Mardis, K. L.; Chaudhry, A. A.; Gilson, M. K.; Payne, G. F. Competition between Intra- and Intermolecular Hydrogen Bonding: Effect on para/ortho Adsorptive Selectivity for Substituted Phenols Ind. Eng. Chem. Res. 2000, 39, 463-472
34. Chiem, L. T.; Huynh, L.; Ralston, J.; Beattie, D. A. An in Situ ATR-FTIR Study of Polyacrylamide Adsorption at the Talc Surface J. Colloid Interface Sci. 2006, 297, 54-61
35. 2 Langmuir 2012, 28, 4233-4240
36. 2: Catechol on Anatase (101) J. Am. Chem. Soc. 2011, 133, 7816-7823