A molecular dynamics simulation study of water structure and adsorption states at talc surfaces

Du, Hao; Miller, Jan D.

doi:10.1016/j.minpro.2006.09.008

Cited by 110 publications

(44 citation statements)

References 44 publications

(43 reference statements)

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“…Molecular dynamics (MD) simulation is an extremely efficient tool that can be used to explore water/water and water/mineral interactions, and to elucidate the structure of water at mineral surfaces, providing detailed information and fundamental understanding of mineral surface chemistry (Du and Miller, 2007a;Du and Miller, 2007b;Du et al, 2007;Nalaskowski et al, 2007). In the case of ionic solids the surface charge can be described from MDS (Du and Miller, 2007a).…”

Section: Interfacial Water Structurementioning

confidence: 99%

“…In contrast, water molecules are tightly bonded with the aluminum octahedral surface, indicated by the close contact between the water molecules and this surface, revealing the hydrophilic character of the octahedral face (00 -1) as shown in Figure 9. The explanation for such water organization is that the presence of hydroxyl groups at the aluminum octahedral layer surface provides plenty of hydrogen bonding sites and facilitates the formation of strong hydrogen bonds (Du and Miller, 2007b;Wang et al, 2004;Wang et al, 2006;Wang et al, 2005). Thus, water can wet this aluminum octahedral surface.…”

Section: Interfacial Water Structurementioning

confidence: 99%

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Surface Characteristics of Kaolinite and Other Selected Two Layer Silicate Minerals

et al. 2007

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University of Alberta has contributed to the understanding of these surface and colloid chemistry problems. His research in this area focused on characterization of flotation columns (Pal and Masliyah, 1989), oil displacement (Basu et al., 1996), and the analysis of interaction forces in bitumen-containing systems Liu et al., 2002;Wang et al., 2003;Wu et al., 2000;Yang et al., 1999).One area of oil sands processing technology that needs to receive further consideration is the surface and colloid chemistry of clay minerals. In this regard, discussion of the surface and colloid chemistry of the two layer silicate minerals seems to beThe electrokinetic features and interfacial water structure, as revealed from molecular dynamics simulations (MDS) are considered with respect to the anisotropic features of selected two layer silicate minerals. Planar structures of kaolinite and antigorite are compared to the, compositionally equivalent, tubular structures of halloysite and chrysotile with respect to the pH dependency of zeta potential as determined from the electrophoretic mobility measurements. The importance of the atomic mismatch between the tetrahedral and octahedral sheets in a particular bilayer is discussed in order to explain the electrokinetic behaviour of these two layer silicate minerals.Interfacial water structure from MDS suggests that the silica tetrahedral surface is not wetted by water. In the case of planar silicates structural imperfections are considered to explain wetting characteristics. The possibility of polarity reversal (domain inversion) within a tetrahedral/ octahedral layer and an out-of-order layer (inserted layer) within the tetrahedral/octahedral stack are considered in order to explain electrokinetic behaviour and wetting characteristics.Les caractéristiques électrocinétiques et la structure de l'eau interfaciale, telles qu'elles sont révélées par les simulations de dynamique molécu-laire (MDS), sont examinées pour déterminer les caractéristiques anisotropes des minéraux de silicate à double couche sélectionnés. Les structures planaires de la kaolinite et de l'antigorite sont comparées aux structures tubulaires, de composition équivalente, de l'halloysite et du chrysotile pour ce qui a trait à la dépendance au pH du potentiel zéta telle qu'elle est déterminée par les mesures de mobilité électrophorétique. L'importance de la non-concordance atomique entre les feuilles tétraédriques et octaédriques dans une bi-couche particulière est examinée afin d'expliquer le comportement électrocinétique de ces deux matériaux de silicate à deux couches.La structure de l'eau interfaciale révélée par les simulations MDS suggère que la surface tétraédrique de la silice n'est pas mouillée par l'eau. Dans le cas de silicates planaires, on pense que des imperfections structurales expliquent les caractéristiques de mouillage. La possibilité d'inversion de polarité (inversion de domaine) dans une couche tétraédrique/octaédrique et la présence d'une couche non-ordonnée (couche insérée) dans l'assemblage tétraè...

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Section: Interfacial Water Structurementioning

confidence: 99%

Section: Interfacial Water Structurementioning

confidence: 99%

Surface Characteristics of Kaolinite and Other Selected Two Layer Silicate Minerals

et al. 2007

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“…17 For example, see the MDS of water at the hydrophobic basal plane talc surface presented in Figure 4. Note the water exclusion zone.…”

Section: Surface Innovations Volume 3 Issue Si1mentioning

confidence: 99%

Molecular features of water films created with bubbles at silica surfaces

Wang

Yin

Nalaskowski

et al. 2015

Surface Innovations

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Sum frequency vibrational spectroscopy (SFVS) spectra indicate that a very ordered water structure exists in the stablewater film at a hydrophilic silica surface during contact with a bubble and that the extent of hydrogen bonding increases with an increase in contact pressure. In contrast, the SFVS spectra of water at a hydrophobic silica surface show a lack of hydrogen bonding and are characterized by a distinct absorption at about 3700 cm −1 , similar to the spectrum of the air/water interface. These results suggest the presence of a water exclusion zone at the hydrophobic surface, as supported by X-ray reflectivity measurements reported in the literature, by AFM images, and by results from molecular dynamics simulations. Of course, the water film at the hydrophobic surface is unstable with film thinning and rupture upon bubble contact. Under these circumstances, it is shown that an attractive van der Waals force between a bubble and the hydrophobic surface can be expected when the water exclusion zone is taken into consideration. As the thickness of the water exclusion zone increases to a thickness corresponding to the size of nanobubbles, the calculated attractive van der Waals force increases. This analysis may help to explain the so-called 'short-range' and 'long-range' hydrophobic forces. IntroductionThe interaction of bubbles with solid and liquid particles in aqueous systems is a fundamental phenomenon of interest in many areas of technology. These interactions are important in the development of improved flotation technologies for the recovery of valuable minerals, for water treatment, for wastepaper recycle, and so on. Flotation is accomplished by the attachment of air bubbles at the surface of hydrophobic particles and their separation from suspension, as practiced in the processing of mineral and energy resources. Attention has been given to the physics of bubble interactions at surfaces, including the bubble approach to the surface, the formation of the intervening water film, the kinetics of film thinning, the critical film thickness, the film's stability, the interaction forces and the disjoining pressure.1-10 All these studies indicate that the structures of these water films differ from those of water in the bulk phase.It has been established for silica surfaces that water films between a negatively charged bubble and the negatively charged silica surface are on the order of 100 nm in thickness. The films are stable at clean hydrophilic silica surfaces and metastable at methylated hydrophobic silica surfaces.1 These pioneering studies have

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“…Both clinochlore surface types will be negatively charged and contain metal ions available for direct interactions with the glucopyranose monomer units of the PS Dextrin, and the carboxyl substitution on the added aromatic functionality. The talc basal plane can only interact with the dextrins through the hydrophobic interaction [42,43].…”

Section: Tmafm Imaging Of Adsorbed Polymers On Talc and Clinochlorementioning

confidence: 99%

In situ atomic force microscopy of modified dextrin adsorption on hydrophobic and hydrophilic layered silicate minerals

Mierczyńska-Vasilev

Beattie

2010

Journal of Colloid and Interface Science

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A molecular dynamics simulation study of water structure and adsorption states at talc surfaces

Cited by 110 publications

References 44 publications

Surface Characteristics of Kaolinite and Other Selected Two Layer Silicate Minerals

Surface Characteristics of Kaolinite and Other Selected Two Layer Silicate Minerals

Molecular features of water films created with bubbles at silica surfaces

In situ atomic force microscopy of modified dextrin adsorption on hydrophobic and hydrophilic layered silicate minerals

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