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Theoretical study of adsorption sites on the (001) surfaces of 1:1 clay minerals
Title Theoretical study of adsorption sites on the (001) surfaces of 1:1 clay minerals Author Tunega Daniel Co-authors Haberhauer Georg Gerzabek Martin H. Lischka H. Source document Langmuir : The ACS Journal of Surfaces and Colloids. Vol. 18, no. 1 (2002), p. 139-147 Language eng - English Document kind rozpis článkov z periodík (rbx) Citations SCHUTTLEFIELD, J.D. - COX, D. - GRASSIAN, V.H. An investigation of water uptake on clays minerals using ATR-FTIR spectroscopy coupled with quartz crystal microbalance measurements. In JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES. ISSN 0148-0227, NOV 2 2007, vol. 112, no. D21. CHURAKOV, S.V. Structure and dynamics of the water films confined between edges of pyrophyllite: A first principle study. In GEOCHIMICA ET COSMOCHIMICA ACTA. ISSN 0016-7037, MAR 1 2007, vol. 71, no. 5, p. 1130-1144. BOUGEARD, D. - SMIRNOV, K.S. Modelling studies of water in crystalline nanoporous aluminosilicates. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, 2007, vol. 9, no. 2, p. 226-245. VEILLY, E. - ROQUES, J. - JODIN-CAUMON, M.C. - HUMBERT, B. - DROT, R. - SIMONI, E. Uranyl interaction with the hydrated (001) basal face of gibbsite: A combined theoretical and spectroscopic study. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, DEC 28 2008, vol. 129, no. 24. SANCHEZ, F.G. - JURANYI, F. - GIMMI, T. - VAN LOON, L. - UNRUH, T. - DIAMOND, L.W. Translational diffusion of water and its dependence on temperature in charged and uncharged clays: A neutron scattering study. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, NOV 7 2008, vol. 129, no. 17. SANCHEZ, F.G. - JURANYI, F. - GIMMI, T. - VAN LOON, L. - SEYDEL, T. - UNRUH, T. Dynamics of supercooled water in highly compacted clays studied by neutron scattering. In JOURNAL OF PHYSICS-CONDENSED MATTER. ISSN 0953-8984, OCT 15 2008, vol. 20, no. 41. LEE, B.H. - LEE, S.K. Effect of lattice topology on the adsorption of benzyl alcohol on kaolinite surfaces: Quantum chemical calculations of geometry optimization, binding energy, and NMR chemical shielding. In AMERICAN MINERALOGIST. ISSN 0003-004X, OCT 2009, vol. 94, no. 10, p. 1392-1404. GEYSERMANS, P. - NOGUERA, C. Advances in atomistic simulations of mineral surfaces. In JOURNAL OF MATERIALS CHEMISTRY. ISSN 0959-9428, 2009, vol. 19, no. 42, p. 7807-7821. MUNOZ-SANTIBURCIO, D. - ORTEGA-CASTRO, J. - SAINZ-DIAZ, C.I. - HUERTAS, F.J. - HERNANDEZ-LAGUNA, A. Theoretical study of the adsorption of 2-nitro-1-propanol on smectite surface models. In JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. ISSN 0166-1280, OCT 30 2009, vol. 912, no. 1-3, Sp. Iss. SI, p. 95-104. MA, D.Q. - CARTER, R.D. - LAINE, J. - STENIUS, P. The influence of coating structure and surface energy on Gibbs energy of ink oil imbibition during ink setting. In NORDIC PULP & PAPER RESEARCH JOURNAL. ISSN 0283-2631, 2009, vol. 24, no. 2, p. 213-218. CROTEAU, T. - BERTRAM, A.K. - PATEY, G.N. Simulation of Water Adsorption on Kaolinite under Atmospheric Conditions. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, JUL 9 2009, vol. 113, no. 27, p. 7826-7833. CYGAN, R.T. - GREATHOUSE, J.A. - HEINZ, H. - KALINICHEV, A.G. Molecular models and simulations of layered materials. In JOURNAL OF MATERIALS CHEMISTRY. ISSN 0959-9428, 2009, vol. 19, no. 17, p. 2470-2481. CROTEAU, T. - BERTRAM, A.K. - PATEY, G.N. Water Adsorption on Kaolinite Surfaces Containing Trenches. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, FEB 11 2010, vol. 114, no. 5, p. 2171-2178. MICHALKOVA, A. - ROBINSON, T. L. - LESZCZYNSKI, J. Adsorption of thymine and uracil on 1: 1 clay mineral surfaces: comprehensive ab initio study on influence of sodium cation and water. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, vol.13, no.17, 7862. MUNOZ-SANTIBURCIO, D. - ORTEGA-CASTRO, J. - HUERTAS, F. J. - HERNANDEZ-LAGUNA, A. Influence of the exchangeable cation on the adsorption of 2-nitro-1-propanol on smectite surface models. In CHEMICAL PHYSICS LETTERS, 2011, vol.515, no.1-3, 49. BAG, B. - DAS, B. - MISHRA, B. K. Geometrical optimization of xanthate collectors with copper ions and their response to flotation. In MINERALS ENGINEERING, 2011, vol.24, no.8, 760. SCOTT, Andrea Michalkova - DAWLEY, M. Michele - ORLANDO, Thomas M. - HILL, Frances C. - LESZCZYNSKI, Jerzy. Theoretical Study of the Roles of Na+ and Water on the Adsorption of Formamide on Kaolinite Surfaces. In JOURNAL OF PHYSICAL CHEMISTRY C, 2012, vol.116, no.45, 23992. CASTRO, Elton A. S. - GARGANO, Ricardo - MARTINS, Joao B. L. Benzene-kaolinite interaction properties. In INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2012, vol.112, no.16, 2828. GEATCHES, Dawn L. - JACQUET, Alain - CLARK, Stewart J. - GREENWELL, H. Christopher. Monomer Adsorption on Kaolinite: Modeling the Essential Ingredients. In JOURNAL OF PHYSICAL CHEMISTRY C, 2012, vol.116, no.42, 22365. TAZI, Sami - ROTENBERG, Benjamin - SALANNE, Mathieu - SPRIK, Michiel - SULPIZI, Marialore. Absolute acidity of clay edge sites from ab-initio simulations. In GEOCHIMICA ET COSMOCHIMICA ACTA, 2012, vol.94, no., 1. CLEAVES, H. James - SCOTT, Andrea Michalkova - HILL, Frances C. - LESZCZYNSKI, Jerzy - SAHAI, Nita - HAZEN, Robert. Mineral-organic interfacial processes: potential roles in the origins of life. In CHEMICAL SOCIETY REVIEWS, 2012, vol.41, no.16, 5502. GREATHOUSE, Jeffery A. - HART, David B. - OCHS, Margaret E. Alcohol and Thiol Adsorption on (Oxy)hydroxide and Carbon Surfaces: Molecular Dynamics Simulation and Desorption Experiments. In JOURNAL OF PHYSICAL CHEMISTRY C. ISSN 1932-7447, 2012, vol. 116, no. 51, pp. 26756. LIU, Xiandong - LU, Xiancai - SPRIK, Michiel - CHENG, Jun - MEIJER, Evert Jan - WANG, Rucheng. Acidity of edge surface sites of montmorillonite and kaolinite. In GEOCHIMICA ET COSMOCHIMICA ACTA. ISSN 0016-7037, 2013, vol. 117, no., pp. 180. SHI, Jing - LIU, Houbin - MENG, Yingfeng - LOU, Zhaoyang - ZENG, Qun - YANG, Mingli. First-principles study of ammonium ions and their hydration in montmorillonites. In JOURNAL OF MOLECULAR MODELING. ISSN 1610-2940, 2013, vol. 19, no. 4, pp. 1875. LEE, Seung Geol - CHOI, Ji Il - KOH, Wonsang - JANG, Seung Soon. Adsorption of beta-D-glucose and cellobiose on kaolinite surfaces: Density functional theory (DFT) approach. In APPLIED CLAY SCIENCE. ISSN 0169-1317, 2013, vol. 71, no., pp. 73. SHI, Jing - LIU, Houbin - LOU, Zhaoyang - ZHANG, Yao - MENG, Yingfeng - ZENG, Qun - YANG, Mingli. Effect of interlayer counterions on the structures of dry montmorillonites with Si4+/Al3+ substitution. In COMPUTATIONAL MATERIALS SCIENCE. ISSN 0927-0256, 2013, vol. 69, no., pp. 95. DONG, Z.T. - XUE, H.T. - LI, B.H. - TIAN, S.S. - LU, S.F. - LU, S.D. Molecular Dynamics Simulations of Oil-Water Wetting Models of Organic Matter and Minerals in Shale at the Nanometer Scale. In JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY. ISSN 1533-4880, JAN 2021, vol. 21, no. 1, SI, p. 85-97. Dostupné na: https://doi.org/10.1166/jnn.2021.18468. ABITKAZY, T. - DU, S.H. - XU, F. - SHI, Y.M. Pore Structure Characterization of Clay Minerals in the Lower Karamay Formation Conglomerate Reservoir in the Junggar Basin and its Impact on Hydrocarbon Storage and Seepage. In ACTA GEOLOGICA SINICA-ENGLISH EDITION. ISSN 1000-9515, APR 2021, vol. 95, no. 2, p. 558-569. Dostupné na: https://doi.org/10.1111/1755-6724.13887. HO, T.A. - WANG, Y.F. Molecular Origin of Wettability Alteration of Subsurface Porous Media upon Gas Pressure Variations. In ACS APPLIED MATERIALS & INTERFACES. ISSN 1944-8244, SEP 1 2021, vol. 13, no. 34, p. 41330-41338. Dostupné na: https://doi.org/10.1021/acsami.1c11540. SANTAGATA, M. - JOHNSTON, C.T. A study of nanoconfined water in halloysite. In APPLIED CLAY SCIENCE. ISSN 0169-1317, MAY 2022, vol. 221. Dostupné na: https://doi.org/10.1016/j.clay.2022.106467. KURAPOTHULA, P.K.J. - SHEPHERD, S. - WILKINS, D.M. Hydrogen-bonding and nuclear quantum effects in clays. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, FEB 28 2022, vol. 156, no. 8. Dostupné na: https://doi.org/10.1063/5.0083075. KARAAGAçLIOGLU, I.E. - KARATAS, D. - ÖZYILDIRIM, O. - ÇELIK, M.S. Investigation of the interactions of arsenic with gangue minerals in colemanite calcination. In MICROPOROUS AND MESOPOROUS MATERIALS. ISSN 1387-1811, MAR 2022, vol. 333. Dostupné na: https://doi.org/10.1016/j.micromeso.2022.111735. Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2002 
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