Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation-Reference-Cited by-同舟云学术

Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation

Published:2015-10-21 Issue:43 Volume:119 Page:24447-24458
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Raiteri Paolo¹,Demichelis Raffaella¹,Gale Julian D.¹

Affiliation:

1. Nanochemistry Research Institute, Curtin Institute for Computation, and Department of Chemistry, Curtin University, GPO Box U1987, Perth, Western Australia 6845, Australia

Funder

Curtin University of Technology

Australian Research Council

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.5b07532

Reference84 articles.

1. Stable Prenucleation Calcium Carbonate Clusters

2. Pre-nucleation clusters as solute precursors in crystallisation

3. Stable prenucleation mineral clusters are liquid-like ionic polymers

4. Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field

5. Multisite Ion Models That Improve Coordination and Free Energy Calculations in Molecular Dynamics Simulations

Cited by 148 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Anisotropy of Barite during Crystal Growth and the Uptake of Radium;Crystal Growth & Design;2024-09-10

2. Simulation of calcium carbonate nucleation processes in confined C-S-H nanopores with different calcium-silicon ratios;Construction and Building Materials;2024-08

3. Ion association behaviors in the initial stage of calcium carbonate formation: An ab initio study;The Journal of Chemical Physics;2024-07-01

4. Investigation of Carbonation Kinetics in Carbonated Cementitious Materials by Reactive Molecular Dynamics Simulations;ACS Sustainable Chemistry & Engineering;2024-06-24

5. Effects of temperature and CO2 concentration on the early stage nucleation of calcium carbonate by reactive molecular dynamics simulations;The Journal of Chemical Physics;2024-06-17