AustralieFrV1, Main, Exploration, bibRecord, 004E12

Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions

Identifieur interne : 004E12 ( Main/Exploration ); précédent : 004E11; suivant : 004E13

Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions

Auteurs : Adam F. Wallace [États-Unis] ; Lester O. Hedges [États-Unis] ; Alejandro Fernandez-Martinez [États-Unis, France] ; Paolo Raiteri [Australie] ; Julian D. Gale [Australie] ; Glenn A. Waychunas [États-Unis] ; Stephen Whitelam [États-Unis] ; Jillian F. Banfield [États-Unis] ; James J. De Yoreo [États-Unis]

Source :

Science : (Washington, D.C.) [ 0036-8075 ] ; 2013.

RBID : Pascal:13-0371778

Descripteurs français

Pascal (Inist)
- Solution sursaturée, Transformation liquide liquide, Méthode dynamique moléculaire, Hydratation, Gaz réticulaire, Décomposition spinodale, Effet concentration, Solidification, Gouttelette, Séparation phase, Carbonate de calcium, Etat liquide.

English descriptors

KwdEn :
- Calcium carbonate, Droplets, Hydration, Lattice gas, Liquid state, Liquid-liquid transformations, Molecular dynamics method, Phase separation, Quantity ratio, Solidification, Spinodal decomposition, Supersaturated solution.

Abstract

Recent experimental observations of the onset of calcium carbonate (CaCO₃) mineralization suggest the emergence of a population of clusters that are stable rather than unstable as predicted by classical nucleation theory. This study uses molecular dynamics simulations to probe the structure, dynamics, and energetics of hydrated CaCO₃ clusters and lattice gas simulations to explore the behavior of cluster populations before nucleation. Our results predict formation of a dense liquid phase through liquid-liquid separation within the concentration range in which clusters are observed. Coalescence and solidification of nanoscale droplets results in formation of a solid phase, the structure of which is consistent with amorphous CaCO₃. The presence of a liquid-liquid binodal enables a diverse set of experimental observations to be reconciled within the context of established phase-separation mechanisms.

Affiliations:

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Le document en format XML

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<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Calcium carbonate</term>
<term>Droplets</term>
<term>Hydration</term>
<term>Lattice gas</term>
<term>Liquid state</term>
<term>Liquid-liquid transformations</term>
<term>Molecular dynamics method</term>
<term>Phase separation</term>
<term>Quantity ratio</term>
<term>Solidification</term>
<term>Spinodal decomposition</term>
<term>Supersaturated solution</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Solution sursaturée</term>
<term>Transformation liquide liquide</term>
<term>Méthode dynamique moléculaire</term>
<term>Hydratation</term>
<term>Gaz réticulaire</term>
<term>Décomposition spinodale</term>
<term>Effet concentration</term>
<term>Solidification</term>
<term>Gouttelette</term>
<term>Séparation phase</term>
<term>Carbonate de calcium</term>
<term>Etat liquide</term>
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<front><div type="abstract" xml:lang="en">Recent experimental observations of the onset of calcium carbonate (CaCO<sub>3</sub>
) mineralization suggest the emergence of a population of clusters that are stable rather than unstable as predicted by classical nucleation theory. This study uses molecular dynamics simulations to probe the structure, dynamics, and energetics of hydrated CaCO<sub>3</sub>
 clusters and lattice gas simulations to explore the behavior of cluster populations before nucleation. Our results predict formation of a dense liquid phase through liquid-liquid separation within the concentration range in which clusters are observed. Coalescence and solidification of nanoscale droplets results in formation of a solid phase, the structure of which is consistent with amorphous CaCO<sub>3</sub>
. The presence of a liquid-liquid binodal enables a diverse set of experimental observations to be reconciled within the context of established phase-separation mechanisms.</div>
</front>
</TEI>
<affiliations><list><country><li>Australie</li>
<li>France</li>
<li>États-Unis</li>
</country>
<region><li>Auvergne-Rhône-Alpes</li>
<li>Californie</li>
<li>Rhône-Alpes</li>
</region>
<settlement><li>Berkeley (Californie)</li>
<li>Grenoble</li>
</settlement>
</list>
<tree><country name="États-Unis"><noRegion><name sortKey="Wallace, Adam F" sort="Wallace, Adam F" uniqKey="Wallace A" first="Adam F." last="Wallace">Adam F. Wallace</name>
</noRegion>
<name sortKey="Banfield, Jillian F" sort="Banfield, Jillian F" uniqKey="Banfield J" first="Jillian F." last="Banfield">Jillian F. Banfield</name>
<name sortKey="Banfield, Jillian F" sort="Banfield, Jillian F" uniqKey="Banfield J" first="Jillian F." last="Banfield">Jillian F. Banfield</name>
<name sortKey="De Yoreo, James J" sort="De Yoreo, James J" uniqKey="De Yoreo J" first="James J." last="De Yoreo">James J. De Yoreo</name>
<name sortKey="De Yoreo, James J" sort="De Yoreo, James J" uniqKey="De Yoreo J" first="James J." last="De Yoreo">James J. De Yoreo</name>
<name sortKey="De Yoreo, James J" sort="De Yoreo, James J" uniqKey="De Yoreo J" first="James J." last="De Yoreo">James J. De Yoreo</name>
<name sortKey="Fernandez Martinez, Alejandro" sort="Fernandez Martinez, Alejandro" uniqKey="Fernandez Martinez A" first="Alejandro" last="Fernandez-Martinez">Alejandro Fernandez-Martinez</name>
<name sortKey="Hedges, Lester O" sort="Hedges, Lester O" uniqKey="Hedges L" first="Lester O." last="Hedges">Lester O. Hedges</name>
<name sortKey="Hedges, Lester O" sort="Hedges, Lester O" uniqKey="Hedges L" first="Lester O." last="Hedges">Lester O. Hedges</name>
<name sortKey="Wallace, Adam F" sort="Wallace, Adam F" uniqKey="Wallace A" first="Adam F." last="Wallace">Adam F. Wallace</name>
<name sortKey="Wallace, Adam F" sort="Wallace, Adam F" uniqKey="Wallace A" first="Adam F." last="Wallace">Adam F. Wallace</name>
<name sortKey="Waychunas, Glenn A" sort="Waychunas, Glenn A" uniqKey="Waychunas G" first="Glenn A." last="Waychunas">Glenn A. Waychunas</name>
<name sortKey="Whitelam, Stephen" sort="Whitelam, Stephen" uniqKey="Whitelam S" first="Stephen" last="Whitelam">Stephen Whitelam</name>
</country>
<country name="France"><region name="Auvergne-Rhône-Alpes"><name sortKey="Fernandez Martinez, Alejandro" sort="Fernandez Martinez, Alejandro" uniqKey="Fernandez Martinez A" first="Alejandro" last="Fernandez-Martinez">Alejandro Fernandez-Martinez</name>
</region>
</country>
<country name="Australie"><noRegion><name sortKey="Raiteri, Paolo" sort="Raiteri, Paolo" uniqKey="Raiteri P" first="Paolo" last="Raiteri">Paolo Raiteri</name>
</noRegion>
<name sortKey="Gale, Julian D" sort="Gale, Julian D" uniqKey="Gale J" first="Julian D." last="Gale">Julian D. Gale</name>
</country>
</tree>
</affiliations>
</record>

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Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions

Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions

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