Soluble Oligomeric Nucleants : Simulations of Chain Length, Binding Strength, and Volume Fraction Effects

Poon, Geoffrey G; Lemke, Tobias; Peter, Christine; Molinero, Valeria; Peters, Baron

Soluble Oligomeric Nucleants : Simulations of Chain Length, Binding Strength, and Volume Fraction Effects

Files

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Date

2017

Authors

Poon, Geoffrey G

Lemke, Tobias

Peter, Christine

Molinero, Valeria

Peters, Baron

DOI (citable link)

10.1021/acs.jpclett.7b02651

Collections

Chemie

Publication type

Journal article

Publication status

Published

Published in

The Journal of Physical Chemistry Letters ; 8 (2017), 23. - pp. 5815-5820. - eISSN 1948-7185

Abstract

Recent theories and simulations suggest that molecular additives can bind to the surfaces of nuclei, lower the surface energy, and accelerate nucleation. Experiments have shown that oligomeric and polymeric additives can also modify nucleation rates of proteins, ice, and minerals; however, general design principles for oligomeric or polymeric promoters do not yet exist. Here we investigate oligomeric additives for which each segment of the oligomer can bind to surfaces of nuclei. We use semigrand canonical Monte Carlo simulations in a Potts lattice gas model to study the effects of oligomer chain length, volume fraction, and binding strength. We find that increasing each of those parameters lowers the nucleation barrier. At extremely low oligomer concentrations, the nucleation kinetics can be modeled as though each oligomer is a heterogeneous nucleation site in solution.

Subject (DDC)

540 Chemistry

Cite This

ISO 690

POON, Geoffrey G, Tobias LEMKE, Christine PETER, Valeria MOLINERO, Baron PETERS, 2017. Soluble Oligomeric Nucleants : Simulations of Chain Length, Binding Strength, and Volume Fraction Effects. In: The Journal of Physical Chemistry Letters. 8(23), pp. 5815-5820. eISSN 1948-7185. Available under: doi: 10.1021/acs.jpclett.7b02651

BibTex

@article{Poon2017-12-07Solub-41118,
  year={2017},
  doi={10.1021/acs.jpclett.7b02651},
  title={Soluble Oligomeric Nucleants : Simulations of Chain Length, Binding Strength, and Volume Fraction Effects},
  number={23},
  volume={8},
  journal={The Journal of Physical Chemistry Letters},
  pages={5815--5820},
  author={Poon, Geoffrey G and Lemke, Tobias and Peter, Christine and Molinero, Valeria and Peters, Baron}
}

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Bibliography of Konstanz

Yes