Entropy Drives Calcium Carbonate Ion Association

Kellermeier, Matthias; Raiteri, Paolo; Berg, John K.; Kempter, Andreas; Gale, Julian D.; Gebauer, Denis

Entropy Drives Calcium Carbonate Ion Association

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Date

2016

Authors

Kellermeier, Matthias

Raiteri, Paolo

Berg, John K.

Kempter, Andreas

Gale, Julian D.

Gebauer, Denis

DOI (citable link)

10.1002/cphc.201600653

Collections

Chemie
Zukunftskolleg

Publication type

Journal article

Publication status

Published

Published in

ChemPhysChem ; 17 (2016), 21. - pp. 3535-3541. - ISSN 1439-4235. - eISSN 1439-7641

Abstract

The understanding of the molecular mechanisms underlying the early stages of crystallisation is still incomplete. In the case of calcium carbonate, experimental and computational evidence suggests that phase separation relies on so-called pre-nucleation clusters (PNCs). A thorough thermodynamic analysis of the enthalpic and entropic contributions to the overall free energy of PNC formation derived from three independent methods demonstrates that solute clustering is driven by entropy. This can be quantitatively rationalised by the release of water molecules from ion hydration layers, explaining why ion association is not limited to simple ion pairing. The key role of water release in this process suggests that PNC formation should be a common phenomenon in aqueous solutions.

Subject (DDC)

540 Chemistry

Cite This

ISO 690

KELLERMEIER, Matthias, Paolo RAITERI, John K. BERG, Andreas KEMPTER, Julian D. GALE, Denis GEBAUER, 2016. Entropy Drives Calcium Carbonate Ion Association. In: ChemPhysChem. 17(21), pp. 3535-3541. ISSN 1439-4235. eISSN 1439-7641. Available under: doi: 10.1002/cphc.201600653

BibTex

@article{Kellermeier2016-11-04Entro-35760,
  year={2016},
  doi={10.1002/cphc.201600653},
  title={Entropy Drives Calcium Carbonate Ion Association},
  number={21},
  volume={17},
  issn={1439-4235},
  journal={ChemPhysChem},
  pages={3535--3541},
  author={Kellermeier, Matthias and Raiteri, Paolo and Berg, John K. and Kempter, Andreas and Gale, Julian D. and Gebauer, Denis}
}

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