scholarly journals Additives influence the phase behavior of calcium carbonate solution by a cooperative ion-association process

2018 ◽  
Vol 6 (3) ◽  
pp. 449-457 ◽  
Author(s):  
Zhaoyong Zou ◽  
Iryna Polishchuk ◽  
Luca Bertinetti ◽  
Boaz Pokroy ◽  
Yael Politi ◽  
...  
Keyword(s):  
Calcium Carbonate ◽  
Phase Behavior ◽  
Ion Association ◽  
Carbonate Solution ◽  
Amorphous Calcium Carbonate ◽  
Biologically Relevant

The role of biologically relevant additives on the phase behavior of calcium carbonate solution was studied by investigating their effects on the formation of amorphous calcium carbonate.

scholarly journals Role of Internal Stress in the Early-Stage Nucleation of Amorphous Calcium Carbonate Gels

2020 ◽  
Vol 10 (12) ◽  
pp. 4359 ◽  
Author(s):  
Qi Zhou ◽  
Tao Du ◽  
Lijie Guo ◽  
Gaurav Sant ◽  
Mathieu Bauchy
Keyword(s):  
Molecular Dynamics ◽  
Calcium Carbonate ◽  
Driving Force ◽  
Early Stage ◽  
Local Stress ◽  
Amorphous Calcium Carbonate ◽  
Local Coordination ◽  
Dynamics Simulations ◽  
Over Time

Although calcium carbonate (CaCO3) precipitation plays an important role in nature, its mechanism remains only partially understood. Further understanding the atomic driving force behind the CaCO3 precipitation could be key to facilitate the capture, immobilization, and utilization of CO2 by mineralization. Here, based on molecular dynamics simulations, we investigate the mechanism of the early-stage nucleation of an amorphous calcium carbonate gel. We show that the gelation reaction manifests itself by the formation of some calcium carbonate clusters that grow over time. Interestingly, we demonstrate that the gelation reaction is driven by the existence of some competing local molecular stresses within the Ca and C precursors, which progressively get released upon gelation. This internal molecular stress is found to originate from the significantly different local coordination environments exhibited by Ca and C atoms. These results highlight the key role played by the local stress acting within the atomic network in governing gelation reactions.

Layered growth of crayfish gastrolith: About the stability of amorphous calcium carbonate and role of additives

2015 ◽  
Vol 189 (1) ◽  
pp. 28-36 ◽  
Author(s):  
Wouter J.E.M. Habraken ◽  
Admir Masic ◽  
Luca Bertinetti ◽  
Ali Al-Sawalmih ◽  
Lilah Glazer ◽  
...  
Keyword(s):  
Calcium Carbonate ◽  
Amorphous Calcium Carbonate ◽  
Layered Growth ◽  
The Stability

Role of Magnesium Ion in the Stabilization of Biogenic Amorphous Calcium Carbonate: A Structure−Function Investigation

2010 ◽  
Vol 22 (1) ◽  
pp. 161-166 ◽  
Author(s):  
Yael Politi ◽  
David R. Batchelor ◽  
Paul Zaslansky ◽  
Bradley F. Chmelka ◽  
James C. Weaver ◽  
...  
Keyword(s):  
Calcium Carbonate ◽  
Structure Function ◽  
Magnesium Ion ◽  
Amorphous Calcium Carbonate

Ab initio and metadynamics studies on the role of essential functional groups in biomineralization of calcium carbonate and environmental situations

2014 ◽  
Vol 16 (48) ◽  
pp. 26843-26854 ◽  
Author(s):  
Moumita Saharay ◽  
R. James Kirkpatrick
Keyword(s):  
Calcium Carbonate ◽  
Ab Initio ◽  
Functional Groups ◽  
Computational Study ◽  
Ion Association ◽  
Bulk Water ◽  
Molecular Clusters ◽  
Vibrational Frequencies

A computational study of the interaction of Ca2+ and CO32− with functional groups relevant to CaCO3 biomineralization and NOM to evaluate the structural environments, energetics of these interactions in small molecular clusters, changes in the vibrational frequencies due to ion-association, and the effects of solvation of the clusters in bulk water.

scholarly journals Anisotropic nanowire growth via a self-confined amorphous template process: A reconsideration on the role of amorphous calcium carbonate

Nano Research ◽  
2016 ◽  
Vol 9 (5) ◽  
pp. 1334-1345 ◽  
Author(s):  
Li-Bo Mao ◽  
Lei Xue ◽  
Denis Gebauer ◽  
Lei Liu ◽  
Xiao-Fang Yu ◽  
...  
Keyword(s):  
Calcium Carbonate ◽  
Nanowire Growth ◽  
Amorphous Calcium Carbonate ◽  
Template Process

The role of pH and Mg on the stability and crystallization of amorphous calcium carbonate

2012 ◽  
Vol 536 ◽  
pp. S477-S479 ◽  
Author(s):  
J.D. Rodriguez-Blanco ◽  
S. Shaw ◽  
P. Bots ◽  
T. Roncal-Herrero ◽  
L.G. Benning
Keyword(s):  
Calcium Carbonate ◽  
Amorphous Calcium Carbonate ◽  
The Stability

scholarly journals Role of Impurities in the Kinetic Persistence of Amorphous Calcium Carbonate: A Nanoscopic Dynamics View

2018 ◽  
Vol 122 (29) ◽  
pp. 16983-16991 ◽  
Author(s):  
Ayumi Koishi ◽  
Alejandro Fernandez-Martinez ◽  
Beatrice Ruta ◽  
Monica Jimenez-Ruiz ◽  
Roberta Poloni ◽  
...  
Keyword(s):  
Calcium Carbonate ◽  
Amorphous Calcium Carbonate

scholarly journals A hydrated crystalline calcium carbonate phase: Calcium carbonate hemihydrate

Science ◽  
2019 ◽  
Vol 363 (6425) ◽  
pp. 396-400 ◽  
Author(s):  
Zhaoyong Zou ◽  
Wouter J. E. M. Habraken ◽  
Galina Matveeva ◽  
Anders C. S. Jensen ◽  
Luca Bertinetti ◽  
...  
Keyword(s):  
Calcium Carbonate ◽  
Cement Industry ◽  
Industrial Processes ◽  
Magnesium Ions ◽  
Monoclinic Structure ◽  
Ambient Conditions ◽  
Amorphous Calcium Carbonate ◽  
Hydrated Crystal ◽  
Global Carbon

As one of the most abundant materials in the world, calcium carbonate, CaCO3, is the main constituent of the skeletons and shells of various marine organisms. It is used in the cement industry and plays a crucial role in the global carbon cycle and formation of sedimentary rocks. For more than a century, only three polymorphs of pure CaCO3—calcite, aragonite, and vaterite—were known to exist at ambient conditions, as well as two hydrated crystal phases, monohydrocalcite (CaCO3·1H2O) and ikaite (CaCO3·6H2O). While investigating the role of magnesium ions in crystallization pathways of amorphous calcium carbonate, we unexpectedly discovered an unknown crystalline phase, hemihydrate CaCO3·½H2O, with monoclinic structure. This discovery may have important implications in biomineralization, geology, and industrial processes based on hydration of CaCO3.

The role of magnesium in stabilising amorphous calcium carbonate and controlling calcite morphologies

2003 ◽  
Vol 254 (1-2) ◽  
pp. 206-218 ◽  
Author(s):  
Eva Loste ◽  
Rory M. Wilson ◽  
Ram Seshadri ◽  
Fiona C. Meldrum
Keyword(s):  
Calcium Carbonate ◽  
Amorphous Calcium Carbonate
Sign in / Sign up

Export Citation Format

Share Document