Thickness and structure of the water film deposited from vapour on calcite surfaces

Bohr, Jakob; Wogelius, R. A.; Morris, Peter; Stipp, S. L. S.

doi:10.1016/j.gca.2010.08.003

Cited by 66 publications

(99 citation statements)

References 49 publications

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“…It is known from experiments that calcite crystals always have a few layers of absorbed water when in air [81]. The strong binding seen in these calculations corresponds with this observation, as water will favour adsoption to the surface.…”

Section: Discussionsupporting

confidence: 71%

Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

2009

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Density functional theory calculations were employed to explore the interaction between water and the {1014} surface of calcite. In addition a defective {1014} surface and stepped surfaces in contact with water were investigated. A series of percentage water coverages and water configurations were explored, including dissociated water states. Static relaxations found associated water to be favourable on the {1014} surface, although a metastable dissociated state 1.77eV higher in energy was found.Molecular dynamics (MD) simulations of low water coverage reveal fluctuations in the H-O water bond when the H atom is directed towards a surface CO 3 ion. Desorption of an H 2 O molecule was observed in simulations above 900K. Water was found to be strongly bound to the perfect {1014} surface, with an adsorption energy of -0.91eV. MD simulations of a defective {1014} surface found water to favour dissociation at CO 3 vacancies. However, water at Ca vacancies diffused across the surface to form a bond with the nearest surface Ca ion. Water was also found to favour an associated state at both acute and obtuse steps. On all these imperfect surfaces water was found to adsorb strongly to the surface, with adsorption energies ranging from -0.99eV to -1.60eV.

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Section: Discussionsupporting

confidence: 71%

Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

2009

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“…In different systems, water adsorption appears to positively correlate with the material rugosity. For instance, adsorbed films on rough calcite were significantly thicker (2-to 40-fold) than those on smooth calcite [96,97]. Similarly, the thickness of brine films on silica increased over 100 times with surface roughness [104].…”

Section: Wetting Film Thicknessmentioning

confidence: 98%

Colloidal crystals and water: Perspectives on liquid–solid nanoscale phenomena in wet particulate media

Gallego-Gómez

Morales‐Flórez

Morales

et al. 2016

Advances in Colloid and Interface Science

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Solid colloidal ensembles inherently contain water adsorbed from the ambient moisture. This water, confined in the porous network formed by the building submicron spheres, greatly affects the ensemble properties. Inversely, one can benefit from such influence on collective features to explore the water behavior in such nanoconfinements. Recently, novel approaches have been developed to investigate in-depth where and how water is placed in the nanometric pores of self-assembled colloidal crystals. Here we summarize these advances, along with new ones, that are linked to general interfacial water phenomena like adsorption, capillary forces and flow. Waterdependent structural properties of the colloidal crystal give clues to the interplay between nanoconfined water and solid fine particles that determines the behavior of ensembles. We elaborate on how the knowledge gained on water in colloidal crystals provides new opportunities for multidisciplinary study of interfacial and nanoconfined liquids and their essential role in the physics of utmost important systems such as particulate media.

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“…It is called water film and adsorbed on the surface of the solid phase. Water film can also be formed by reservoir water on the surface of rock particles (Bohr et al, 2010;Nishiyama et al, 2013). The existence of water film can reduce the effective radius of the pore throat and influence seepage of stratum fluids (Tokunaga, 2011).…”

Section: Cutoff Of Physical Property Analysismentioning

confidence: 99%

Controlling factors and physical property cutoffs of the tight reservoir in the Liuhe Basin

Tan

Wang

et al. 2017

Adv. Geo-Energ. Res.

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Tight gas sandstone reservoirs of the Lower Cretaceous Xiahuapidianzi Formation are the main exploration target in the Liuhe Basin in China. Petrology characteristics, reservoir space (pore space), controlling factors and physical property cutoffs of the tight sandstone reservoir in the Liuhe Basin were determined through the integrated analysis of several methods including: casting thin section, field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), mercury intrusion porosimetry (MIP), nuclear magnetic resonance (NMR) and nitrogen gas adsorption (N2GA). The sandstones dominated by lithic arkoses and feldspathic litharenites are characterized by low porosity, low permeability and strong microscopic heterogeneity. The porosity has a range between 0.48% and 4.80%, with an average of 2.26%. Intercrystalline pores, intergranular pores, dissolved pores and microfractures can be observed through the casting thin section and FE-SEM images. Compaction and carbonate cementation are the two primary mechanisms resulting in the low porosity of the Liuhe sandstones. Microfractures improve the permeability of the tight sandstones and provide pathways for fluid migration and the storage of hydrocarbon accumulations. Moreover, the theoretical cutoff of the porosity in the Xiahuapidianzi Formation tight sandstones is 3.3%.

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Thickness and structure of the water film deposited from vapour on calcite surfaces

Cited by 66 publications

References 49 publications

Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

Investigation of the Interaction of Water with the Calcite (10.4) Surface Using Ab Initio Simulation

Colloidal crystals and water: Perspectives on liquid–solid nanoscale phenomena in wet particulate media

Controlling factors and physical property cutoffs of the tight reservoir in the Liuhe Basin

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