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Crystal Growth and Morphology: New Developments in an Integrated Hartman−PerdokConnected NetRoughening Transition Theory, Supported by Computer Simulations

2004; American Chemical Society; Volume: 4; Issue: 5 Linguagem: Inglês

10.1021/cg034182v

1528-7505

P. Bennema, Hugo Meekes, S. X. M. Boerrigter, H. M. Cuppen, M. A. Deij, J. van Eupen, P. Verwer, Elias Vlieg,

nanoparticles nucleation surface interactions

In this paper, 200 years of modeling crystal growth and morphology are reviewed. From the discovery of the law of rational indices, the interplanar distance law of Bravais, Friedel, Donnay, and Harker, to more structural theories such as the Hartman−Perdok theory, as well as statistical mechanical cell models, we arrive at the modern growth theories supported by Monte Carlo growth simulations. Shortcomings in the classical Hartman−Perdok theory are highlighted, and the concept of weakening of connected nets by connected net interactions is explained using a theoretical example. In the last section, our new insights are applied to three examplescrystal structures of venlafaxine, paracetamol, and triacylglycerolsto illustrate their scope and applicability.