Understanding the barriers to crystal growth: dynamical simulation of the dissolution and growth of urea from aqueous solution.

@article{Piana2005UnderstandingTB,
  title={Understanding the barriers to crystal growth: dynamical simulation of the dissolution and growth of urea from aqueous solution.},
  author={Stefano Piana and Julian D Gale},
  journal={Journal of the American Chemical Society},
  year={2005},
  volume={127 6},
  pages={1975-82}
}
Both the dissolution and growth of a molecular crystalline material, urea, has been studied using dynamical atomistic simulation. The kinetic steps of dissolution and growth are clearly identified, and the activation energies for each possible step are calculated. Our molecular dynamics simulations indicate that crystal growth on the [001] face is characterized by a nucleation and growth mechanism. Nucleation on the [001] urea crystal face is predicted to occur at a very high rate, followed by… CONTINUE READING

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