DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Molecular simulations of kinetic stable calcium isotope fractionation at the calcite-aqueous interface

Journal Article · · Chemical Geology

Not Available

Sponsoring Organization:
USDOE
OSTI ID:
1775625
Journal Information:
Chemical Geology, Journal Name: Chemical Geology Journal Issue: C Vol. 532; ISSN 0009-2541
Publisher:
ElsevierCopyright Statement
Country of Publication:
Netherlands
Language:
English

References (36)

A Microkinetic Model of Calcite Step Growth journal August 2016
Kink Density and Rate of Step Movement during Growth and Dissolution of anABCrystal in a Nonstoichiometric Solution journal April 1998
Kink densities along a crystal surface step at low temperatures and under nonequilibrium conditions journal November 1990
Kinetics of calcite growth: surface processes and relationships to macroscopic rate laws journal July 2000
The control of carbonate mineral Mg isotope composition by aqueous speciation: Theoretical and experimental modeling journal December 2016
PLUMED: A portable plugin for free-energy calculations with molecular dynamics journal October 2009
The influence of kinetics on the oxygen isotope composition of calcium carbonate journal August 2013
Calcium isotope fractionation in calcite and aragonite journal September 2005
The effect of cation:anion ratio in solution on the mechanism of barite growth at constant supersaturation: Role of the desolvation process on the growth kinetics journal November 2007
Sr2+/Ca2+ and 44Ca/40Ca fractionation during inorganic calcite formation: II. Ca isotopes journal August 2008
The effect of the Ca2+ to activity ratio on spiral growth at the calcite surface journal April 2010
Isotopic mass dependence of metal cation diffusion coefficients in liquid water journal April 2010
Sr2+/Ca2+ and 44Ca/40Ca fractionation during inorganic calcite formation: III. Impact of salinity/ionic strength journal January 2012
Calcite growth kinetics: Modeling the effect of solution stoichiometry journal January 2012
Self-consistent ion-by-ion growth model for kinetic isotopic fractionation during calcite precipitation journal June 2012
General model for calcite growth kinetics in the presence of impurity ions journal August 2013
Calcium and strontium isotope fractionation in aqueous solutions as a function of temperature and reaction rate; I. Calcite journal July 2017
Calcium and strontium isotope fractionation during precipitation from aqueous solutions as a function of temperature and reaction rate; II. Aragonite journal July 2017
Effect of amino acids on the precipitation kinetics and Ca isotopic composition of gypsum journal December 2017
Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation journal October 2015
The Activated Complex and the Absolute Rate of Chemical Reactions. journal August 1935
Accurate Rates of the Complex Mechanisms for Growth and Dissolution of Minerals Using a Combination of Rare-Event Theories journal July 2011
Is the Calcite–Water Interface Understood? Direct Comparisons of Molecular Dynamics Simulations with Specular X-ray Reflectivity Data journal February 2013
Molecular Dynamics Study of Fe(II) Adsorption, Electron Exchange, and Mobility at Goethite (α-FeOOH) Surfaces journal January 2015
Derivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite−Water Interface journal February 2010
Linear Free Energy Relationships between Dissolution Rates and Molecular Modeling Energies of Rhombohedral Carbonates journal March 2004
Why small? The use of small inorganic clusters to understand mineral surface and dissolution reactions in geochemistry journal January 2003
Effect of high salt concentrations on water structure journal November 1995
The structural origin of anomalous properties of liquid water journal December 2015
Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamics journal August 2007
Ligand- and oxygen-isotope-exchange pathways of geochemical interest journal January 2015
Ion desolvation as a mechanism for kinetic isotope fractionation in aqueous systems journal October 2012
Thermodynamics of Calcite Growth: Baseline for Understanding Biomineral Formation journal October 1998
Reaction Dynamics, Molecular Clusters, and Aqueous Geochemistry journal May 2007
Applying Stable Isotope Fractionation Theory to New Systems journal January 2004
Kinetic Fractionation of Non-Traditional Stable Isotopes by Diffusion and Crystal Growth Reactions journal January 2017

Similar Records

Surface kinetic model for isotopic and trace element fractionation during precipitation of calcite from aqueous solution
Journal Article · Fri Oct 15 04:00:00 UTC 2010 · Geochimica et Cosmochimica Acta · OSTI ID:1005174

Surface kinetic model for isotopic and trace element fractionation during precipitation of calcite from aqueous solutions
Journal Article · Tue Feb 01 04:00:00 UTC 2011 · Geochimica et Cosmochimica Acta · OSTI ID:1380649

Dissolution kinetics at the calcite-water interface
Journal Article · Sun Dec 01 04:00:00 UTC 1996 · Geochimica et Cosmochimica Acta · OSTI ID:543109

Related Subjects