The surface reactivity of chalk (biogenic calcite) with hydrophilic and hydrophobic functional groups

Okhrimenko, Denis V.; Dalby, Kim N.; Skovbjerg, L.L.; Bovet, N.; Christensen, Jan H.; Stipp, S. L. S.

doi:10.1016/j.gca.2013.12.011

Cited by 27 publications

(44 citation statements)

References 48 publications

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“…Investigation of systems containing calcite-water-ethanol provided new insights into the strength of bonding of simple OH compounds. [17][18][19][20][21] In this paper, we now demonstrate the direct interaction between a mineral surface that is completely free of adventitious contamination with molecules that adsorb from a pure gas phase. Experimental evidence of X-ray photoelectron spectroscopy (XPS) is supplemented with a theoretical approach using molecular dynamics (MD) simulations to illustrate how the simplest model molecules adsorb through their OH functional group and to define the nature of those interactions, surface coverage, orientation and structure.…”

Section: Introductionmentioning

confidence: 71%

Interaction of alcohols with the calcite surface

Bovet

Yang

Javadi

et al. 2015

Phys. Chem. Chem. Phys.

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A clearer understanding of calcite interactions with organic molecules would contribute to a range of fields including harnessing the secrets of biomineralisation where organisms produce hard parts, increasing oil production from spent reservoirs, remediating contaminated soils and drinking water aquifers and improving manufacturing methods for industrial products such as pigments, soft abrasives, building materials and optical devices. Biomineralisation by some species of blue green algae produces beautifully elaborate platelets of calcite where the individual crystals are of nanometer scale. Controlling their growth requires complex polysaccharides. Polysaccharide activity depends on the functionality of OH groups, so to simplify the system in order to get closer to a molecular level understanding, we investigated the interaction of OH from a suite of alcohols with clean, freshly cleaved calcite surfaces. X-ray photoelectron spectroscopy (XPS) provided binding energies and revealed the extent of surface coverage. Molecular dynamics (MD) simulations supplemented with information about molecule ordering, orientation and packing density. The results show that all alcohols studied bond with the calcite surface through the OH group, with their carbon chains sticking away in a standing-up orientation. Alcohol molecules are closely packed and form a well-ordered monolayer on the surface.

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Section: Introductionmentioning

confidence: 71%

Interaction of alcohols with the calcite surface

Bovet

Yang

Javadi

et al. 2015

Phys. Chem. Chem. Phys.

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“…Surface carbonate species have, for instance, been identified through various chemical [349,350] and/or isotopic exchange methods [351] and vibration spectroscopy [352]. Carbonate surface structures have been mapped by AFM [353,354], probed by crystal truncation rod [355], modeled by ab initio/DFT [356], and their hydration layers mapped by amplitude-modulation AFM [293]. Carbonate surface species (e.g.…”

Section: Carbonate/water Interfacesmentioning

confidence: 99%

Surface chemistry of carbon dioxide revisited

Taifan

Boily

Baltrušaitis

2016

Surface Science Reports

146

129

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This review discusses modern developments in CO 2 surface chemistry by focusing on the work published since the original review by H. J. Freund and M.W. Roberts two decades ago (Surface Science Reports 25 (1996) 225-273). It includes relevant fundamentals pertaining to the topics covered in that earlier review, such as conventional metal and metal oxide surfaces and CO 2 interactions thereon. While UHV spectroscopy has routinely been applied for CO 2 gas-solid interface analysis, the present work goes further by describing surface-CO 2 interactions under elevated CO 2 pressure on non-oxide surfaces, such as zeolites, sulfides, carbides and nitrides. Furthermore, it describes salient in situ techniques relevant to the resolution of the interfacial chemistry of CO 2 , notably infrared spectroscopy and state-of-the-art theoretical methods, currently used in the resolution of solid and soluble carbonate species in liquid-water vapor, liquid-solid and liquid-liquid interfaces. These techniques are directly relevant to fundamental, natural and technological settings, such as heterogeneous and environmental catalysis and CO 2 sequestration.

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“…There are in addition several lines of evidence, mainly from oilfield petrophysics (Thomas et al 1993;Frye and Thomas 1993;Okhrimenko et al 2014) and soil science (Carter and Mitterer 1978), that the calcite mineral surface has a strong tendency to chemisorb certain organic compounds, notably fatty acids such as oleic, stearic, fulvic and humic acids (Pacey 1989). Carboxylate groups bind to the calcite surface to form a hydrophobic surface layer containing outward-facing alkyl groups.…”

Section: Imbibition Behaviour: Results and Discussionmentioning

confidence: 99%

Spontaneous Capillary Imbibition of Water and Nonaqueous Liquids into Dry Quarry Limestones

Pugsley

2020

Transp Porous Med

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Rates of spontaneous imbibition of water and nonaqueous liquids into dry limestones have been measured at 25 °C. Thirteen English and French limestones were used, with eight liquids (water, decane, dodecane, sec-butanol, iso-propanol, tetrahydrofuran, perfluorodimethylcyclohexane, ethanediol). For the nonaqueous liquids, the measured sorptivity generally scales as (surface-tension/viscosity)$$^{1/2}$$ 1 / 2 (here called F-scaling). Water sorptivities deviate from F-scaling, indicating partial wetting. A wetting coefficient (wetting index) is derived. Data show that there is little difference in the Hirschwald saturation coefficient measured with the different liquids, although there is a large variation between stones. Results suggest that physicochemical alteration of exposed pore surfaces strongly (and unpredictably) influences the capillary absorption of water by limestones.

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The surface reactivity of chalk (biogenic calcite) with hydrophilic and hydrophobic functional groups

Cited by 27 publications

References 48 publications

Interaction of alcohols with the calcite surface

Interaction of alcohols with the calcite surface

Surface chemistry of carbon dioxide revisited

Spontaneous Capillary Imbibition of Water and Nonaqueous Liquids into Dry Quarry Limestones

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