Calcite Crystal Growth Rate Inhibition by Polycarboxylic Acids

Reddy, Micaela B.; Hoch, A.R.

doi:10.1006/jcis.2000.7378

Cited by 173 publications

(126 citation statements)

References 10 publications

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“…We note that anionic polymers including PAA have been extensively studied as scale inhibitors as well as particle stabilizers when calcite was the inorganic phase [33][34][35][36][37]. In both cases, the polymeric adsorption on calcite was one of the key processes, and it was often accompanied by the subtle morphological changes of calcite.…”

Section: Resultsmentioning

confidence: 99%

Molecular Dynamics Simulation to Understand the Ability of Anionic Polymers to Alter the Morphology of Calcite

Choi

Kim

2017

International Journal of Polymer Science

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Molecular dynamics was utilized to investigate the ability of anionic macromolecules to drastically change the morphology of calcite in the presence of magnesium ions. Anionic poly(acrylic acid) and poly(methacrylic acid) were compared with cationic poly(ethylene imine) in their binding behavior on calcite (104) and (110) surfaces. Poly(acrylic acid) and poly(methacrylic acid) showed preferential binding on (110) with strong electrostatic attractions, whereas poly(ethylene imine) was only weakly attracted to (104). The extent of the charge imbalance on the surfaces appeared responsible for the current results, which originated from the deficient number of the coordinating oxygen atoms of carbonate around the surface calcium. The results of the current study were in accordance with the previous experimental observations, where the {hk0} surfaces of calcite were elongated under the coexistence of the anionic polymers and magnesium ions. These results could be generally utilized in the polymer-controlled crystallization with broad implications in the specific interactions with crystal surfaces.

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Section: Resultsmentioning

confidence: 99%

Molecular Dynamics Simulation to Understand the Ability of Anionic Polymers to Alter the Morphology of Calcite

Choi

Kim

2017

International Journal of Polymer Science

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“…One way to gain this level of control is the use of growth modifying additives during the precipitation of calcite from the aqueous phase. It has been shown in the past that the adsorption of many types of polymers such as hydrophilic block copolymers [6,7], polycarboxylic acids [8][9][10][11], phosphonates [12,13] and polyamino acids [14][15][16][17] during precipitation or dissolution can modify calcite particle size and morphology. It was also shown that polycarboxylic acids can promote a very particular growth mechanisms [18], during which agglomeration of small primary particles results in a very high overall specific surface area.…”

Section: Introductionmentioning

confidence: 99%

Growth modification of seeded calcite using carboxylic acids: Atomistic simulations

Aschauer

Spagnoli

Bowen

et al. 2010

Journal of Colloid and Interface Science

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a b s t r a c tMolecular dynamics simulations were used to investigate possible explanations for experimentally observed differences in the growth modification of calcite particles by two organic additives, polyacrylic acid (PAA) and polyaspartic acid (p-ASP). The more rigid backbone of p-ASP was found to inhibit the formation of stable complexes with counter-ions in solution, resulting in a higher availability of p-ASP compared to PAA for surface adsorption. Furthermore the presence of nitrogen on the p-ASP backbone yields favorable electrostatic interactions with the surface, resulting in negative adsorption energies, in an upright (brush conformation). This leads to a more rapid binding and longer residence times at calcite surfaces compared to PAA, which adsorbed in a flat (pancake) configuration with positive adsorption energies. The PAA adsorption occurring despite this positive energy difference can be attributed to the disruption of the ordered water layer seen in the simulations and hence a significant entropic contribution to the adsorption free energy. These findings help explain the stronger inhibiting effect on calcite growth observed by p-ASP compared to PAA and can be used as guidelines in the design of additives leading to even more marked growth modifying effects.

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“…As seen in the case of monodisperse silver halide production [5], the use of polyelectrolyte additives such as gelatin yields favorable results. Polyphosphates and poly(acrylic) acid are suitable growth inhibitors and/or shape controllers that can be used in the reactive crystallization of sulfates [6][7][8], carbonates [9][10][11][12][13], and halides [14,15]. These studies, however, have mainly focused on desalination issues or on the control of crystal shape.…”

Section: Introductionmentioning

confidence: 99%

Kinetic Study on Polyethylenimine‐Assisted Reactive Crystallization of Monodisperse Strontium Sulfate Microcrystals

Mikami

Hirasawa

2013

Chem Eng & Technol

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Double-jet reactive crystallization of SrSO 4 was carried out in the presence of polyethylenimine (PEI). A simple kinetic model of primary nucleation as well as crystal growth was investigated under the condition of producing monodisperse microcrystals. Furthermore, surface free energy in the solution of PEI was estimated. PEI addition causes growth inhibition leading to smaller sizes and modifies the Gibbs free energy gap required for occurring nucleation.

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Calcite Crystal Growth Rate Inhibition by Polycarboxylic Acids

Cited by 173 publications

References 10 publications

Molecular Dynamics Simulation to Understand the Ability of Anionic Polymers to Alter the Morphology of Calcite

Molecular Dynamics Simulation to Understand the Ability of Anionic Polymers to Alter the Morphology of Calcite

Growth modification of seeded calcite using carboxylic acids: Atomistic simulations

Kinetic Study on Polyethylenimine‐Assisted Reactive Crystallization of Monodisperse Strontium Sulfate Microcrystals

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