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Toward Rational Design of Tailor-made Additives Using Growth Site Statistics

Autor: Teun Vissers, M.A. Deij, E. Vlieg, Hugo Meekes

Publikováno v: Crystal Growth & Design, 7, 4, pp. 778-786
Crystal Growth & Design, 7, 778-786

Tailor-made additives are generally designed by optimizing the chemical compatibility between an adsorbing additive and a flat crystalline surface. Crystal growth, however, mainly takes place at step edges where growth units incorporate into the adva

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63c0e976d29b9cb0b54d22b25ab07f7e
https://doi.org/10.1021/cg060885b

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

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

Publikováno v: Crystal Growth & Design, 4, 5, pp. 905-913
Crystal Growth & Design, 4, 905-913

Contains fulltext : 60273.pdf (Publisher’s version ) (Closed access) 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, Friede

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a88397d8cba91677f35d61e6d07f31ea
https://doi.org/10.1021/cg034182v

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The solubility behaviour and thermodynamic relations of the three forms of Venlafaxine free base

Autor: M.A. Deij, R. Westheim, J. Th. H. van Eupen, Elias Vlieg, P. Bennema, Hugo Meekes

Publikováno v: International Journal of Pharmaceutics, 368, 146-153
International Journal of Pharmaceutics, 368, 1-2, pp. 146-153

The polymorphic and solubility behaviour of the active pharmaceutical ingredient Venlafaxine free base, which is used as an antidepressant, is studied. Using differential scanning calorimetry and slurry experiments, an enantiotropic relation between

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::355accfc77192e0b95adcfc8cc28c35b
http://hdl.handle.net/2066/75688

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The step energy as a habit controlling factor: Application to the morphology prediction of aspartame, venlafaxine, and a yellow isoxazolone dye

Autor: Hugo Meekes, E. Vlieg, M.A. Deij

Publikováno v: Crystal Growth & Design, 7, 10, pp. 1949-1957
Crystal Growth & Design, 7, 1949-1957

In this paper, we report on the use of step energies in crystal morphology prediction as an improvement and computationally fast alternative to the Bravais, Friedel, Donnay, and Harker (BFDH) and attachment energy methods. One of the major improvemen

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09f1f26fa2b337f33916cc6593e6e872
https://hdl.handle.net/2066/36613

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Steps on surfaces in modeling crystal growth

Autor: M.A. Deij, Hugo Meekes, E. Vlieg, Herma M. Cuppen

Publikováno v: Crystal Growth & Design, 7, 1936-1942
Crystal Growth & Design, 7, 10, pp. 1936-1942

When modeling crystal growth and crystal morphology, steps on surfaces are important for the correct description of the phenomena taking place. Morphology prediction, however, has been dominated by the Hartman−Perdok theory of periodic bond chains

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::365b61e04b57a7395f32bc72e159c608
http://hdl.handle.net/2066/36499

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Liquid ordering at the KDP {100}-solution interface

Autor: D. Kaminski, W.J.P. van Enckevort, Neda Radenović, E. Vlieg, M.A. Deij

Publikováno v: Crystal Growth & Design, 6, 2, pp. 588-591
Crystal Growth & Design, 6, 588-591

We have determined the atomic structure of the KH2PO4 {100} interface in contact with solution for different pH values. Using X-ray diffraction data sets both the perpendicular and the lateral orde...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::587ab251a8466b86c1aec890e2482935
https://doi.org/10.1021/cg0502338

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On the determination of step energies. Theoretical considerations and application to an anisotropic Kossel model

Autor: Hugo Meekes, Jan H. Los, E. Vlieg, M.A. Deij

Publikováno v: Journal of Applied Crystallography (International Union of Crystallography-Iucr), 39, 4, pp. 563-570
Journal of Applied Crystallography (International Union of Crystallography-Iucr), 39, 563-570

Steps on surfaces are important in crystal growth theory, as the step free energy determines the two-dimensional nucleation rate, island growth, step flow and spiral growth. In this paper, it is illustrated that in general in lattice models the step

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a653df7f98383d48c617afa967d05716
https://hdl.handle.net/2066/35591

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Experimental and computational growth morphology of two polymorphs of a yellow isoxazolone dye

Autor: L. Van Meervelt, M.A. Deij, H.L.M. Meekes, S.X.M. Boerrigter, E. Aret, G. Deroover, E. Vlieg

Publikováno v: Langmuir, 21, 3831-3837
Langmuir, 21, 9, pp. 3831-3837

We report on the crystal structures and the experimentally found and the computationally predicted growth morphologies of two polymorphs of a yellow isoxazolone dye. The stable polymorph I has a blocklike habit, and the metastable polymorph II grows

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bf59bbb1cd50fb8e17de3d0536cec009
https://pubmed.ncbi.nlm.nih.gov/15835944

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