Combined experimental and theoretical investigation of interactions between kaolinite inner surface and intercalated dimethyl sulfoxide

Applied Surface Science

Volumn 331, Issue , 2015, Pages 234-240

  Zhang, Shuai ^a   Liu, Qinfu ^a   Cheng, Hongfei ^a   Zeng, Fangui ^b  

^a CHINA UNIVERSITY OF MINING AND TECHNOLOGY   (China)

^b TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Diethyl sulfoxide; Hydrogen bonding interaction; Kaolinite; Molecular dynamics simulation

Indexed keywords

ALUMINA; ALUMINUM OXIDE; ATOMS; COMPLEXATION; CRYSTAL ATOMIC STRUCTURE; DIFFERENTIAL SCANNING CALORIMETRY; DIMETHYL SULFOXIDE; DISTRIBUTION FUNCTIONS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; KAOLINITE; MOLECULAR DYNAMICS; MOLECULAR OXYGEN; ORGANIC SOLVENTS; SILICON; SILICON OXIDES; THERMOGRAVIMETRIC ANALYSIS;

DIETHYL SULFOXIDE; DIMETHYL SULFOXIDE (DMSO); HYDROGEN BOND INTERACTION; HYDROGEN BONDING INTERACTIONS; MEAN SQUARE DISPLACEMENT; MOLECULAR DYNAMICS SIMULATIONS; RADIAL DISTRIBUTION FUNCTIONS; THEORETICAL INVESTIGATIONS;

HYDROGEN BONDS;

EID: 84924753725     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2015.01.019     Document Type: Article

References (51)

1. M.S. Wang, and T.J. Pinnavaia Clay-polymer nanocomposites formed from acidic derivatives of montmorillonite and an epoxy resin Chem. Mater. 6 1994 468 474
2. B.K.G. Theng Clay-polymer interactions; summary and perspectives Clays Clay Miner. 30 1982 1 10
3. A. Okada, and A. Usuki Twenty years of polymer-clay nanocomposites Macromol. Mater. Eng. 291 2006 1449 1476
4. E.P. Giannelis Polymer layered silicate nanocomposites Adv. Mater. 8 1996 29 35
5. M. Alexandre, and P. Dubois Polymer-layered silicate nanocomposites: preparation, properties and uses of a new class of materials Mater. Sci. Eng.: R: Rep. 28 2000 1 63
6. P.C. LeBaron, Z. Wang, and T.J. Pinnavaia Polymer-layered silicate nanocomposites: an overview Appl. Clay Sci. 15 1999 11 29
7. Y. Li, B. Zhang, and X. Pan Preparation and characterization of PMMA-kaolinite intercalation composites Compos. Sci. Technol. 68 2008 1954 1961
8. J.E. Gardolinski, L.C.M. Carrera, M.P. Cantão, and F. Wypych Layered polymer-kaolinite nanocomposites J. Mater. Sci. 35 2000 3113 3119
9. Y. Komori, Y. Sugahara, and K. Kuroda Direct intercalation of poly(vinylpyrrolidone) into kaolinite by a refined guest displacement method Chem. Mater. 11 1998 3 6
10. B. Zhang, Y. Li, X. Pan, X. Jia, and X. Wang Intercalation of acrylic acid and sodium acrylate into kaolinite and their in situ polymerization J. Phys. Chem. Solids 68 2007 135 142
11. T.A. Elbokl, and C. Detellier Aluminosilicate nanohybrid materials. Intercalation of polystyrene in kaolinite J. Phys. Chem. Solids 67 2006 950 955
12. L.s. Cabedo, E. Giménez, J.M. Lagaron, R. Gavara, and J.J. Saura Development of EVOH-kaolinite nanocomposites Polymer 45 2004 5233 5238
13. J.A. Mbey, F. Thomas, C.J. Ngally Sabouang, Liboum, and D. Njopwouo An insight on the weakening of the interlayer bonds in a Cameroonian kaolinite through DMSO intercalation Appl. Clay Sci. 83-84 2013 327 335
14. R.F. Giese Kaolin minerals; structures and stabilities Rev. Mineral. Geochem. 19 1988 29 66
15. R.L. Ledoux, and J.L. White Infrared studies of hydrogen bonding interaction between kaolinite surfaces and intercalated potassium acetate, hydrazine, formamide, and urea J. Colloid Interface Sci. 21 1966 127 152
16. H. Cheng, Q. Liu, J. Yang, X. Du, and R.L. Frost Influencing factors on kaolinite-potassium acetate intercalation complexes Appl. Clay Sci. 50 2010 476 480
17. H. Cheng, Q. Liu, J. Yang, S. Ma, and R.L. Frost The thermal behavior of kaolinite intercalation complexes - a review Thermochim. Acta 545 2012 1 13
18. H. Cheng, Q. Liu, J. Yang, J. Zhang, and R.L. Frost Thermal analysis and infrared emission spectroscopic study of halloysite-potassium acetate intercalation compound Thermochim. Acta 511 2010 124 128
19. R.L. Frost, J. Kristof, L. Rintoul, and J.T. Kloprogge Raman spectroscopy of urea and urea-intercalated kaolinites at 77 K Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 56 2000 1681 1691
20. S. Olejnik, L.A.G. Aylmore, A.M. Posner, and J.P. Quirk Infrared spectra of kaolin mineral-dimethyl sulfoxide complexes J. Phys. Chem. 72 1968 241 249
21. Y. Komori, Y. Sugahara, and K. Kuroda Intercalation of alkylamines and water into kaolinite with methanol kaolinite as an intermediate Appl. Clay Sci. 15 1999 241 252
22. Y. Komori, Y. Sugahara, and K. Kuroda A kaolinite-NMF-methanol intercalation compound as a versatile intermediate for further intercalation reaction of kaolinite J. Mater. Res. 13 1998 930 934
23. Q. Fang, S. Huang, and W. Wang Intercalation of dimethyl sulphoxide in kaolinite: molecular dynamics simulation study Chem. Phys. Lett. 411 2005 233 237
24. G. Rutkai, and T. Kristóf Molecular simulation study of intercalation of small molecules in kaolinite Chem. Phys. Lett. 462 2008 269 274
25. G. Rutkai, É. Makó, and T. Kristóf Simulation and experimental study of intercalation of urea in kaolinite J. Colloid Interface Sci. 334 2009 65 69
26. Z. Ható, É. Makó, and T. Kristóf Water-mediated potassium acetate intercalation in kaolinite as revealed by molecular simulation J. Mol. Model. 20 2014 1 10
27. Q. Liu, S. Zhang, H. Cheng, D. Wang, X. Li, X. Hou, and R. Frost Thermal behavior of kaolinite-urea intercalation complex and molecular dynamics simulation for urea molecule orientation J. Therm. Anal. Calorim. 117 2014 189 196
28. S. Zhang, Q. Liu, H. Cheng, X. Li, F. Zeng, and R.L. Frost Intercalation of dodecylamine into kaolinite and its layering structure investigated by molecular dynamics simulation J. Colloid Interface Sci. 430 2014 345 350
29. Y. Zhang, Q. Liu, Z. Wu, Q. Zheng, and H. Cheng Thermal behavior analysis of kaolinite-dimethylsulfoxide intercalation complex J. Therm. Anal. Calorim. 110 2012 1167 1172
30. H. Heinz, T.-J. Lin, R. Kishore Mishra, and F.S. Emami Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field Langmuir 29 2012 1754 1765
31. H. Heinz, H. Koerner, K.L. Anderson, R.A. Vaia, and B.L. Farmer Force field for mica-type silicates and dynamics of octadecylammonium chains grafted to montmorillonite Chem. Mater. 17 2005 5658 5669
32. X. Liu, X. Lu, R. Wang, H. Zhou, and S. Xu Interlayer structure and dynamics of alkylammonium-intercalated smectites with and without water: a molecular dynamics study Clays Clay Miner. 55 2007 554 564
33. X. Liu, X. Lu, R. Wang, H. Zhou, and S. Xu Molecular dynamics insight into the cointercalation of hexadecyltrimethyl-ammonium and acetate ions into smectites Am. Mineral. 94 2009 143 150
34. H.C. Greenwell, M.J. Harvey, P. Boulet, A.A. Bowden, P.V. Coveney, and A. Whiting Interlayer structure and bonding in nonswelling primary amine intercalated clays Macromolecules 38 2005 6189 6200
35. H.C. Greenwell, A.A. Bowden, B. Chen, P. Boulet, J.R. Evans, P.V. Coveney, and A. Whiting Intercalation and in situ polymerization of poly (alkylene oxide) derivatives within M+-montmorillonite (M = Li, Na, K) J. Mater. Chem. 16 2006 1082 1094
36. B.J. Teppen, C.-H. Yu, D.M. Miller, and L. Schäfer Molecular dynamics simulations of sorption of organic compounds at the clay mineral/aqueous solution interface J. Comput. Chem. 19 1998 144 153
37. V. Aggarwal, Y.Y. Chien, and B.J. Teppen Molecular simulations to estimate thermodynamics for adsorption of polar organic solutes to montmorillonite Eur. J. Soil Sci. 58 2007 945 957
38. C. Liu, H. Li, C.T. Johnston, S.A. Boyd, and B.J. Teppen Relating clay structural factors to dioxin adsorption by smectites: molecular dynamics simulations Soil Sci. Soc. Am. J. 76 2012 110 120
39. H. Heinz, and U.W. Suter Atomic charges for classical simulations of polar systems J. Phys. Chem. B 108 2004 18341 18352
40. H. Heinz, R.A. Vaia, and B.L. Farmer Interaction energy and surface reconstruction between sheets of layered silicates J. Chem. Phys. 124 2006
41. H. Heinz, R.A. Vaia, R. Krishnamoorti, and B.L. Farmer Self-assembly of alkylammonium chains on montmorillonite: effect of chain length, head group structure, and cation exchange capacity Chem. Mater. 19 2006 59 68
42. Y.-T. Fu, and H. Heinz Cleavage energy of alkylammonium-modified montmorillonite and relation to exfoliation in nanocomposites: influence of cation density, head group structure, and chain length Chem. Mater. 22 2010 1595 1605
43. R. Zhu, W. Hu, Z. You, F. Ge, and K. Tian Molecular dynamics simulation of TCDD adsorption on organo-montmorillonite J. Colloid Interface Sci. 377 2012 328 333
44. S. Nosé A unified formulation of the constant temperature molecular dynamics methods J. Chem. Phys. 81 1984 511 519
45. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola, and J.R. Haak Molecular dynamics with coupling to an external bath J. Chem. Phys. 81 1984 3684 3690
46. R.L. Frost, J. Kristof, G.N. Paroz, and J.T. Kloprogge Molecular structure of dimethyl sulfoxide intercalated kaolinites J. Phys. Chem. B 102 1998 8519 8532
47. C.T. Johnston, G. Sposito, D.F. Bocian, and R.R. Birge Vibrational spectroscopic study of the interlamellar kaolinite-dimethyl sulfoxide complex J. Phys. Chem. 88 1984 5959 5964
48. W.N. Martens, R.L. Frost, J. Kristof, and E. Horvath Modification of kaolinite surfaces through intercalation with deuterated dimethylsulfoxide J. Phys. Chem. B 106 2002 4162 4171
49. A. Langier-Kuzniarowa Thermal Analysis of Organo-clay Complexes 2002 Marcel Dekker New York
50. H.J. Percival, J.F. Duncan, and P.K. Foster Interpretation of the kaolinite-mullite reaction sequence from infrared absorption spectra J. Am. Ceram. Soc. 57 1974 57 61
51. Q. Zhao, and S.E. Burns Molecular dynamics simulation of secondary sorption behavior of montmorillonite modified by single chain quaternary ammonium cations Environ. Sci. Technol. 46 2012 3999 4007