Nucleation and Crystal Growth of Calcium Carbonate under Flow Conditions

Athanasakou, Georgia; Arvaniti, Eleni; Koutsoukos, Petros G.; Paraskeva, Christakis Α.

doi:10.1201/b15606-3

Cited by 2 publications

(2 citation statements)

References 16 publications

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“…Calcite is one of the minerals whose dissolution and growth has been most extensively studied to date. Not only is it important in the context of developing a fundamental understanding of crystallization, but this system is also relevant to processes including biomineralization, carbon sequestration, and industrial scale inhibition . The advent of Atomic Force Microscopy (AFM) in the late 1980s made it possible to directly image the surface of calcite growing in aqueous solution.…”

Section: Introductionmentioning

confidence: 99%

Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface

Pierre

Raiteri

Gale

2016

Crystal Growth & Design

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The behavior of liquid water around obtuse and acute steps parallel to <4 ത 41> on the {1014} cleavage surface of calcite has been investigated by means of classical molecular dynamics simulations performed with a force-field fitted against thermodynamic properties. Water density maps, radial distribution functions and water average residence times have been investigated. The structure and dynamics of the first two ordered hydration layers, which have been previously observed for the basal surface of calcite, are found to be disrupted by the presence of the steps over a range of five molecular rows either side of the step edge. Calcium sites along the step top edge can coordinate up to three water molecules, as compared with just the single water that can be adsorbed per calcium ion on the flat surface. Water residence times at calcium sites in the vicinity of the step span greater than 2 orders of magnitude, from tenths to several tens of ns, as compared to 2 ns and 0.2 ns for the flat surface and a calcium ion in aqueous solution, respectively. The occurrence of waters with long residence times at the step corners points towards the possible role of step dehydration as a rate-limiting factor in calcite crystal growth. Indeed, the different distributions of slow and fast waters along the obtuse and acute steps appear to correlate with the different rates of growth observed for the two types of steps.

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Section: Introductionmentioning

confidence: 99%

Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface

Pierre

Raiteri

Gale

2016

Crystal Growth & Design

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“…The simulation results have been compared with the matching experiments in order to validate and then improve the design of selective salt sedimentation processes in porous formations. The key modeling components and preliminary results have been presented in ref .…”

Section: Introductionmentioning

confidence: 99%

Flow, Transport, and Controlled Sedimentation of Salt Solutions in Porous Formations with Enhanced Structural Properties

Skouras

Sygouni

Constantinides

et al. 2016

Crystal Growth & Design

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Scaling phenomena caused by salt precipitation in pumps and wells are a frequent problem during oil production, CO2 storage, and other underground processes. Several studies have focused on the salt precipitation in porous media, and interesting results concerning salt precipitation have been obtained in the past. Salt precipitation in porous media is a complex phenomenon since it is highly dependent on supersaturation, which is usually not homogeneous along the porous channels. In the present study the coupled solution of the spatiotemporally varied flow and mass transport during mixing and selective precipitation of specific salts in unconsolidated and loosely consolidated porous media were investigated, with a strong dependence on the prevailing conditions. Specific salt solutions mixing, transfer, and deposition rates were studied, targeting the selective enhancement of salts deposition performance to facilitate consolidation of porous formations. Computational fluid dynamics methods have been applied for the transient flow and salt transport with homogeneous or heterogeneous nucleation of crystals on the walls of pores with specific mixing geometry. During modeling of flow in pore networks, the three-dimensional character of the process was taken into account, and the evolution of mass transport and deposition was monitored. The precipitation of salts in supersaturated and unsaturated porous medium and the crystals distribution along the porous medium have been evaluated. Comparison of the simulation results with similar experiments has been performed.

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Nucleation and Crystal Growth of Calcium Carbonate under Flow Conditions

Cited by 2 publications

References 16 publications

Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface

Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface

Flow, Transport, and Controlled Sedimentation of Salt Solutions in Porous Formations with Enhanced Structural Properties

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