Exploring the influence of organic species on pre- and post-nucleation calcium carbonate

QR Code

Exploring the influence of organic species on pre- and post-nucleation calcium carbonate

Organic additives are well known to influence the nucleation and growth of minerals. A combination of experimental and theoretical methods has been used to probe how three simple additives, containing varying numbers of carboxylate groups, influence the early stages of the growth of calcium carbonat...

Full description

Bibliographic Details
Main Authors:	Raiteri, Paolo, Demichelis, Raffaella, Gale, Julian, Kellermeier, M., Gebauer, D., Quigley, D., Wright, L., Walsh, T.
Format:	Journal Article
Published:	Royal Society of Chemistry 2012
Online Access:	http://hdl.handle.net/20.500.11937/49323

Similar Items

Nucleation of amorphous calcium carbonate: A combined theoretical and experimental perspective
by: Gale, Julian, et al.
Published: (2011)

Computational exploration of the pre-nucleation, growth and thermodynamics of carbonate minerals
by: Gale, Julian, et al.
Published: (2012)

Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate
by: Raiteri, Paolo, et al.
Published: (2010)

Simulation of Calcium Phosphate Pre-Nucleation Clusters in Aqueous Solution: Association Beyond Ion Pairing
by: Garcia, Natalya, et al.
Published: (2019)

Pre-nucleation clusters as solute precursors in crystallisation
by: Gebauer, Denis, et al.
Published: (2014)

Ab Initio Modelling of the Structure and Properties of Crystalline Calcium Carbonate
by: Demichelis, Raffaella, et al.
Published: (2016)

Structure of hydrated calcium carbonates: A first-principles study
by: Demichelis, Raffaella, et al.
Published: (2013)

Stable prenucleation mineral clusters are liquid-like ionic polymers
by: Demichelis, Raffaella, et al.
Published: (2011)

Simulating the binding of key organic functional groups to aqueous calcium carbonate species
by: Schuitemaker, Alicia, et al.
Published: (2021)

On classical and non-classical views on nucleation
by: Gebauer, Denis, et al.
Published: (2018)

Entropy Drives Calcium Carbonate Ion Association
by: Kellermeier, M., et al.
Published: (2016)

Examining the accuracy of density functional theory for predicting the thermodynamics of water incorporation into minerals: The hydrates of calcium carbonate
by: Demichelis, Raffaella, et al.
Published: (2013)

Hydration effects on the stability of calcium carbonate pre-nucleation species
by: Burgos-Cara, A., et al.
Published: (2017)

Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation
by: Raiteri, Paolo, et al.
Published: (2015)

Development of accurate force fields for the simulation of biomineralisation
by: Raiteri, Paolo, et al.
Published: (2013)

Derivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite-Water Interface
by: Raiteri, Paolo, et al.
Published: (2010)

Anhydrous Calcium Oxalate Polymorphism: A Combined Computational and Synchrotron X-ray Diffraction Study
by: Zhao, W., et al.
Published: (2016)

Minerals in water: A computational perspective
by: Raiteri, Paolo, et al.
Published: (2013)

Simulation of Calcium Phosphate Species in Aqueous Solution: Force Field Derivation
by: Demichelis, R., et al.
Published: (2017)

A new structural model for disorder in vaterite from first-principles calculations
by: Demichelis, Raffaella, et al.
Published: (2012)

The multiple structures of vaterite
by: Demichelis, Raffaella, et al.
Published: (2013)

Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite
by: Aufort, Julie, et al.
Published: (2022)

Computer simulation of the speciation and growth of calcium carbonate
by: De La Pierre, M., et al.
Published: (2016)

Computational Insight into Calcium-Sulfate Ion Pair Formation
by: Byrne, E., et al.
Published: (2017)

Short-Range Structure of Amorphous Calcium Hydrogen Phosphate
by: Lu, B.Q., et al.
Published: (2019)

Crystal Nucleation and Growth of Inorganic Ionic Materials from Aqueous Solution: Selected Recent Developments, and Implications
by: Gebauer, Denis, et al.
Published: (2022)

Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing units
by: Armstrong, B., et al.
Published: (2023)

A reactive force field for aqueous-calcium carbonate systems
by: Gale, Julian, et al.
Published: (2011)

Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics
by: Raiteri, Paolo, et al.
Published: (2020)

Calculations of the Evolution of the Ca L23 Fine Structure in Amorphous Calcium Carbonate.
by: Kahil, Keren, et al.
Published: (2022)

A straightforward treatment of activity in aqueous CaCo3 solutions and the consequences for nucleation theory
by: Kellermeier, M., et al.
Published: (2014)

Exploring the effect of poly(acrylic acid) on pre- and post-nucleation BaSO4 species: New insights into the mechanisms of crystallization control by polyelectrolytes
by: Ruiz-Agudo, C., et al.
Published: (2016)

The atomic structure and dynamics at the CaCO3 vaterite-water interface: A classical molecular dynamics study
by: Schuitemaker, Alicia, et al.
Published: (2021)

Prenucleation clusters and non-classical nucleation
by: Gebauer, Denis, et al.
Published: (2011)

Magnesium Impurities Decide the Structure of Calcium Carbonate Hemihydrate
by: Aufort, Julie, et al.
Published: (2020)

Calcium Carbonate Polyamorphism and Its Role in Biomineralization: How Many Amorphous Calcium Carbonates Are There?
by: Cartwright, J., et al.
Published: (2012)

Polyaspartic acid facilitates oxolation within iron(iii) oxide pre-nucleation clusters and drives the formation of organic-inorganic composites
by: Scheck, J., et al.
Published: (2016)

Probing the Multiple Structures of Vaterite through Combined Computational and Experimental Raman Spectroscopy
by: De La Pierre, Marco, et al.
Published: (2014)

Kinetics of calcium phosphate nucleation and growth on calcite: Implications for predicting the fate of dissolved phosphate species in alkaline soils
by: Wang, L., et al.
Published: (2012)

Sweet on biomineralization: Effects of carbohydrates on the early stages of calcium carbonate crystallization
by: Rao, A., et al.
Published: (2014)

Cannot write session to /tmp/vufind_sessions/sess_f80g4jh7saqvfg2lvl8rk9qfhv