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Nucleation of urea from aqueous solution: Structure, critical size, and rate.
- Source :
-
Journal of Chemical Physics . 2017, Vol. 146 Issue 13, p1-7. 7p. 1 Color Photograph, 2 Diagrams, 2 Charts, 4 Graphs. - Publication Year :
- 2017
-
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 × 10-24 cm-3 s-1), suggesting that the homogeneous nucleation of urea is improbable at room temperature. [ABSTRACT FROM AUTHOR]
- Subjects :
- *NUCLEATION
*UREA
*AQUEOUS solutions
*MOLECULAR structure
*COMPUTER simulation
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 146
- Issue :
- 13
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 122416629
- Full Text :
- https://doi.org/10.1063/1.4979141