Free energy of adsorption of water and calcium on the {10 4} calcite surface
Literature Information
Publication Date
2003-12-02
DOI
10.1039/B311928A
Impact Factor
6.222
Authors
Sebastien Kerisit, Stephen C. Parker
View Original
Abstract
Molecular dynamics simulations of the calcite–water interface have shown that the free energy of adsorption of water is relatively small compared to the previously calculated enthalpy of adsorption implying a large entropy change and that the free energy profile of a calcium adsorbing on the surface correlates with the solvent density; these calculations allow us to begin to address the rates of adsorption and desorption which are essential for studying growth and dissolution.
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Source Journal
Chemical Communications
CiteScore:
8.6
Self-citation Rate:
4.7%
Articles per Year:
2458
ChemComm publishes urgent research which is of outstanding significance and interest to experts in the field, while also appealing to the journal’s broad chemistry readership. Our communication format is ideally suited to short, urgent studies that are of such importance that they require accelerated publication. Our scope covers all topics in chemistry, and research at the interface of chemistry and other disciplines (such as materials science, nanoscience, physics, engineering and biology) where there is a significant novelty in the chemistry aspects. Major topic areas covered include: Analytical Chemistry Catalysis Chemical Biology and medicinal chemistry Computational Chemistry and Machine Learning Energy and sustainable chemistry Environmental Chemistry Green Chemistry Inorganic Chemistry Materials Chemistry Nanoscience Organic Chemistry Physical Chemistry Polymer Chemistry Supramolecular Chemistry
Recommended Compounds
2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline
CAS Number:
1609394-10-6
Molecular Formula:
C10H12N4O
2-Methyl-2-propanyl 3-benzyl-4-oxo-1-piperidinecarboxylate
CAS Number:
193274-82-7
Molecular Formula:
C17H23NO3
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