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Mandal T, Larson RG. Nucleation of urea from aqueous solution: Structure, critical size, and rate. J Chem Phys. 2017;146(13):134501doi: 10.1063/1.4979141.
Mandal, T., & Larson, R. G. (2017). Nucleation of urea from aqueous solution: Structure, critical size, and rate. The Journal of chemical physics, 146(13), 134501. https://doi.org/10.1063/1.4979141
Mandal, Taraknath, and Larson, Ronald G. "Nucleation of urea from aqueous solution: Structure, critical size, and rate." The Journal of chemical physics vol. 146,13 (2017): 134501. doi: https://doi.org/10.1063/1.4979141
Mandal T, Larson RG. Nucleation of urea from aqueous solution: Structure, critical size, and rate. J Chem Phys. 2017 Apr 07;146(13):134501. doi: 10.1063/1.4979141. PMID: 28390365.
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J Chem Phys. 2017 Apr 07;146(13):134501. doi: 10.1063/1.4979141.

Nucleation of urea from aqueous solution: Structure, critical size, and rate.

The Journal of chemical physics

Taraknath Mandal, Ronald G Larson

Affiliations

  1. Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA.

PMID: 28390365 DOI: 10.1063/1.4979141

Abstract

Using fully atomistic simulations, we find that the structure of the critical urea crystal nucleus (monoclinic, four molecules per unit cell) in an aqueous solution differs from the known crystal structure of bulk urea (orthorhombic, two molecules per unit cell). Following a frequently used "seeding technique" combined with the classical nucleation theory, we also find that at room temperature the critical nucleus is very large (containing ∼530 molecules) and the nucleation rate is very slow (∼5×10

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