Interaction of alcohols with the calcite surface

Bovet, N.; Yang, Mingjun; Javadi, M. S.; Stipp, S. L. S.

doi:10.1039/c4cp05235h

Cited by 54 publications

(49 citation statements)

References 26 publications

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“…Moreover, the adsorption onto calcite by IPA molecules is expected to be lower than that by ethanol, because of steric effects. Similarly, the coverage of calcite surface was found to be lower for t-butanol (having CH3 groups protruding laterally, hence taking more space) compared to ethanol [45]. This is expected to allow for an increased reactivity of the calcite surface in the water-IPA system, compared to the water-ethanol system, as well as for an increased reactivity of the ions in the solution.…”

Section: Effect Of Alcohol Typementioning

confidence: 98%

Calcium phosphate coatings for marble conservation: Influence of ethanol and isopropanol addition to the precipitation medium on the coating microstructure and performance

et al. 2018

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The effect of adding ethanol and isopropanol to aqueous solutions of diammonium hydrogen phosphate, used to create a passivating layer of calcium phosphates over marble, was investigated. Thanks to its weakening effect on the hydration sphere of ions in solution, ethanol allowed complete coverage of marble surface by a crackfree and pore-free layer of octacalcium phosphate. Even better results were obtained using isopropanol, because it has lower adsorption affinity to calcite than ethanol. Treatments involving alcohols provided good acid protection and also restored cohesion among calcite grains in weathered marble.

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Section: Effect Of Alcohol Typementioning

confidence: 98%

Calcium phosphate coatings for marble conservation: Influence of ethanol and isopropanol addition to the precipitation medium on the coating microstructure and performance

et al. 2018

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“…It was found that alcohols heavier than methanol (including ethanol) tend to bind to the calcite surface more strongly than water and acetic acid (31). Very recently, the interactions of a series of alcohols with the calcite surface were studied using X-ray photoelectron spectroscopy coupled with MD simulation, in which all alcohols were found to bond with calcite surface through the hydroxyl group forming closely packed, ordered monolayer (33). All these previous investigations suggest a spatially thin gap with low ethanol density between the first adsorbed monolayer and the bulk alcohol.…”

Section: Discussionmentioning

confidence: 99%

Probing the energetics of organic–nanoparticle interactions of ethanol on calcite

Navrotsky

2015

Proc. Natl. Acad. Sci. U.S.A.

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Knowing the nature of interactions between small organic molecules and surfaces of nanoparticles (NP) is crucial for fundamental understanding of natural phenomena and engineering processes. Herein, we report direct adsorption enthalpy measurement of ethanol on a series of calcite nanocrystals, with the aim of mimicking organic-NP interactions in various environments. The energetics suggests a spectrum of adsorption events as a function of coverage: strongest initial chemisorption on active sites on fresh calcite surfaces, followed by major chemical binding to form an ethanol monolayer and, subsequently, very weak, near-zero energy, physisorption. These thermochemical observations directly support a structure where the ethanol monolayer is bonded to the calcite surface through its polar hydroxyl group, leaving the hydrophobic ends of the ethanol molecules to interact only weakly with the next layer of adsorbing ethanol and resulting in a spatial gap with low ethanol density between the monolayer and subsequent added ethanol molecules, as predicted by molecular dynamics and density functional calculations. Such an ordered assembly of ethanol on calcite NP is analogous to, although less strongly bonded than, a capping layer of organics intentionally introduced during NP synthesis, and suggests a continuous variation of surface structure depending on molecular chemistry, ranging from largely disordered surface layers to ordered layers that nevertheless are mobile and can rearrange or be displaced by other molecules to strongly bonded immobile organic capping layers. These differences in surface structure will affect chemical reactions, including the further nucleation and growth of nanocrystals on organic ligand-capped surfaces.thermodynamics | adsorption calorimetry | ligand-capped nanocrystal | biomineralization | carbonate formation

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“…For calcite and alumina, the ethanol molecules mainly orient themselves perpendicular to the surface. [78][79][80][81]83 Although for Al(OH) 3 the preferred orientation is either around 0°or 60−70°8 2 and for FeOOH it is between 30−60°, 82 we find a clear preference for the ethanol molecules to align parallel to the surface.…”

Section: ■ Resultsmentioning

confidence: 77%

Understanding the Swelling Behavior of Modified Nanoclay Filler Particles in Water and Ethanol

et al. 2015

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Clay−polymer nanocomposite materials have gained much attention owing to their low weight ratio of filler to reinforcement properties, delivering lightweight yet resilient materials with excellent barrier properties to gas diffusion. An important process in their production is clay exfoliation, as maximum reinforcement and improvement of barrier properties occur when the clay mineral platelets are fully separated and dispersed through the polymer matrix with a preferred orientation. In this study we examine clay swellingthe first step leading to exfoliationusing molecular dynamics to generate solvation energetics, swelling curves, and atomic density profiles of three types of clay mineralsmontmorillonite, vermiculite, and hectoritewith interlayer Na + cations and/or three quaternary ammonium surfactants in water and ethanol. Analysis based on the provided simulations can help to distinguish between favorable and unfavorable swelling profiles of mineral/surfactant/solvent systems and therefore guide further research into this complex field. ■ INTRODUCTIONSince the early 1990s, when first introduced by Toyota, clayreinforced plastics, or clay−polymer nanocomposite (CPNC) materials, have attracted much attention owing to their superior performance and additional properties relative to conventionally filled (e.g., glass fiber) plastics. The term "nanocomposites" arises owing to the clay filler particles having at least one size domain in the nanometer region. Clay minerals are defined by Guggenheim and Martin as "phyllosilicate minerals and minerals which impart plasticity to clay and which harden upon drying or firing". 1 This typically refers to the fraction of soils with particle size of a layer thickness lower than 2 μm. As individual montmorillonite clay mineral layers are only 10 Å (1 nm) thick, these kind of clay minerals have a very high aspect (breadth to thickness) ratio. At relatively low filler loadings, polymers reinforced with clay minerals gave rise to similar mechanical properties for CPNCs as composites with much higher conventional filler loadings. 2 Initially, it was considered that the nanoscale size of these clay minerals conferred unique properties to the CPNC material. However, in time it became apparent that the strongly bound polymer interfacial layers on the clay mineral allowed CPNC materials to be placed within conventional composite theory. 3 In addition, owing to the preferred orientation and overlap of the highly anisotropic clay mineral platelets, CPNC materials were found to have far superior barrier properties to gas diffusion and better thermal stability compared to the pure polymers, or conventional composites, accelerating their deployment in packaging applications. The dramatically increased usage of plastic-based packaging materials over the last few decades together with future consumption predicted to increase even further 4 have served to stimulate the industry to provide new, more efficient barrier solutions 5−7 with the potential to further extend the usage of CPNC mate...

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Interaction of alcohols with the calcite surface

Cited by 54 publications

References 26 publications

Calcium phosphate coatings for marble conservation: Influence of ethanol and isopropanol addition to the precipitation medium on the coating microstructure and performance

Calcium phosphate coatings for marble conservation: Influence of ethanol and isopropanol addition to the precipitation medium on the coating microstructure and performance

Probing the energetics of organic–nanoparticle interactions of ethanol on calcite

Understanding the Swelling Behavior of Modified Nanoclay Filler Particles in Water and Ethanol

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