Inhibition of calcium oxalate monohydrate growth by citrate and the effect of the background electrolyte

Weaver, M. L.; Qiu, Siyao; Hoyer, John R.; Casey, William H.; Nancollas, G.H.; Yoreo, James J. De

doi:10.1016/j.jcrysgro.2007.04.053

Cited by 89 publications

(178 citation statements)

References 41 publications

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“…Background electrolytes have been shown to modify both the growth and the dissolution of many minerals, e.g., gypsum, calcite, barite, whewellite, among others [21,22,24,25,[41][42][43][44][45][46][47][48][49][50]. Ions at the mineral-solution interface are continuously attaching to and detaching from step edges and, consequently, mineral dissolution or growth kinetics depend on energy barriers involving these ions [51].…”

Section: Discussionmentioning

confidence: 99%

Hydration Effects on the Stability of Calcium Carbonate Pre-Nucleation Species

et al. 2017

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Recent experimental evidence and computer modeling have shown that the crystallization of a range of minerals does not necessarily follow classical models and theories. In several systems, liquid precursors, stable pre-nucleation clusters and amorphous phases precede the nucleation and growth of stable mineral phases. However, little is known on the effect of background ionic species on the formation and stability of pre-nucleation species formed in aqueous solutions. Here, we present a systematic study on the effect of a range of background ions on the crystallization of solid phases in the CaCO 3 -H 2 O system, which has been thoroughly studied due to its technical and mineralogical importance, and is known to undergo non-classical crystallization pathways. The induction time for the onset of calcium carbonate nucleation and effective critical supersaturation are systematically higher in the presence of background ions with decreasing ionic radii. We propose that the stabilization of water molecules in the pre-nucleation clusters by background ions can explain these results. The stabilization of solvation water hinders cluster dehydration, which is an essential step for precipitation. This hypothesis is corroborated by the observed correlation between parameters such as the macroscopic equilibrium constant for the formation of calcium/carbonate ion associates, the induction time, and the ionic radius of the background ions in the solution. Overall, these results provide new evidence supporting the hypothesis that pre-nucleation cluster dehydration is the rate-controlling step for calcium carbonate precipitation.

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Section: Discussionmentioning

confidence: 99%

Hydration Effects on the Stability of Calcium Carbonate Pre-Nucleation Species

et al. 2017

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“…Confinement can enable control over size, polymorphism and orientation, single crystal/polycrystalline structure, and morphology [13]. At the same time, modification of the solvation environment through the addition to the solution of organics [14], peptides [15], polymers [16], or simple ionic salts [17][18][19][20], can influence the kinetics and thermodynamics of crystal nucleation and growth. A perfect example of a crystallization process that occurs within a confined environment and in multicomponent aqueous solutions is biomineralization [2,21].…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulations of Hydroxyapatite Nanopores in Contact with Electrolyte Solutions: The Effect of Nanoconfinement and Solvated Ions on the Surface Reactivity and the Structural, Dynamical, and Vibrational Properties of Water

et al. 2017

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Hydroxyapatite, the main mineral phase of mammalian tooth enamel and bone, grows within nanoconfined environments and in contact with aqueous solutions that are rich in ions. Hydroxyapatite nanopores of different pore sizes (20 Å ≤ H ≤ 110 Å, where H is the size of the nanopore) in contact with liquid water and aqueous electrolyte solutions (CaCl 2 (aq) and CaF 2 (aq)) were investigated using molecular dynamics simulations to quantify the effect of nanoconfinement and solvated ions on the surface reactivity and the structural and dynamical properties of water. The combined effect of solution composition and nanoconfinement significantly slows the self-diffusion coefficient of water molecules compared with bulk liquid. Analysis of the pair and angular distribution functions, distribution of hydrogen bonds, velocity autocorrelation functions, and power spectra of water shows that solution composition and nanoconfinement in particular enhance the rigidity of the water hydrogen bonding network. Calculation of the water exchange events in the coordination of calcium ions reveals that the dynamics of water molecules at the HAP-solution interface decreases substantially with the degree of confinement. Ions in solution also reduce the water dynamics at the surface calcium sites. Together, these changes in the properties of water impart an overall rigidifying effect on the solvent network and reduce the reactivity at the hydroxyapatite-solution interface. Since the process of surface-cation-dehydration governs the kinetics of the reactions occurring at mineral surfaces, such as adsorption and crystal growth, this work shows how nanoconfinement and solvation environment influence the molecular-level events surrounding the crystallization of hydroxyapatite.

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“…This equation is equivalent to that derived by Weaver et al (3] from the expression of the Gibbs-Thomson effect, which is valid for all supersaturations (20].…”

Section: 2mentioning

confidence: 93%

“…However, it has been recently pointed out that this assumption is not realistic in most crystal-aqueous solution systems. According to Kubota [261 and Weaver et al [2,3], the degree of coverage of a crystal surface by a monolayer of impurities with a given concentration in the aqueous solution is better described by the Langmuir model of adsorption dynamics. The Langmuir mechanism of adsorption assumes a dynamic equilibrium involving the concentration of surface positions where the impurity can be adsorbed, the concentration of impurities in the aqueous solution, and the concentration of adsorbed impurities.…”

Section: Inhibition Of Growth On Surfaces Of Solid Solutions By Non-imentioning

confidence: 99%

“…This fact has been recognised by living organisms, which have been using for millions of years a wide variety of molecules as inhibitors to avoid pathological mineralization from bodily fluids (e.g. kidney and gall bladder stones, and mineralization within soft tissues such as veins or digestive tracts [2,3]). Furthermore, organisms can also use molecules in a more sophisticated way to modify and control the crystal growth behaviour of common minerals (e.g.…”

Section: Introductionmentioning

confidence: 99%

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