Impurity Effects on the Growth of Molecular Crystals: Experiments and Modeling

Advanced Powder Technology

Volumn 19, Issue 5, 2008, Pages 459-473

  Poornachary, Sendhil K ^a,b   Chow, Pui Shan ^b   Tan, Reginald B H ^a,b  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b INSTITUTE OF CHEMICAL AND ENGINEERING SCIENCES   (Singapore)

Author keywords

atomic force microscopy; Crystal habit; impurities; molecular modeling; morphology; polymorphism

Indexed keywords

AMINES; AMINO ACIDS; ATOMIC FORCE MICROSCOPY; ATOMIC PHYSICS; ATOMS; CRYSTALLIZATION; CRYSTALS; GRAIN BOUNDARIES; GROWTH (MATERIALS); IMPURITIES; MOLECULAR CRYSTALS; MOLECULAR MODELING; MOLECULES; ORGANIC ACIDS; POLYMORPHISM;

CRYSTAL HABIT; ENERGY METHODS; EXPERIMENTAL OBSERVATIONS; GROWTH MORPHOLOGIES; HABIT MODIFICATIONS; IMPURITY EFFECTS; IN-SITU; MODELING APPROACHES; MOLECULAR SCALE; MORPHOLOGY; SOLUTION CRYSTALLIZATIONS; SOLUTION INTERFACES;

CRYSTAL IMPURITIES;

EID: 59549106135     PISSN: 09218831     EISSN: 15685527     Source Type: Journal    
DOI: 10.1163/156855208X336701     Document Type: Article

References (23)

1. Weissbuch I., Lahav M., and Leiserowitz L. Toward stereochemical control, monitoring and understanding of crystal nucleation. Cryst. Growth Des. 3 (2003) 125-150
2. Davey R.J., Black S.N., Logan D., Maginn S.J., Fairbrother J.E., and Grant D.J.W. Structural and kinetic features of crystal growth inhibition: adipic acid growing in the presence of n-alkanoic acids. J. Chem. Soc. Faraday Trans. 88 (1992) 3461-3466
3. Thompson C., Davies M.C., Roberts C.J., Tendler S.J.B., and Wilkinson M.J. The effects of additives on the growth and morphology of paracetamol (acetaminophen) crystals. Int. J. Pharm. 280 (2004) 137-150
4. Berkovitch-Yellin Z., van Mil J., Addadi L., Idelson M., Lahav M., and Leiserowitz L. Crystal morphology engineering by 'tailor-made' inhibitors: a new probe to fine intermolecular interactions. J. Am. Chem. Soc. 107 (1985) 3111-3122
5. Clydesdale G., Thomson G.B., Walker E.M., Roberts K.J., Meenan P., and Docherty R. A molecular modeling study of the crystal morphology of adipic acid and its habit modification by homologous impurities. Cryst. Growth Des. 5 (2005) 2154-2163
6. Mukuta T., Lee A.Y., Kawakami T., and Myerson A.S. Influence of impurities on the solutionmediated phase transformation of an active pharmaceutical ingredient. Cryst. Growth Des. 5 (2005) 1429-1436
7. Poornachary S.K., Chow P.S., Tan R.B.H., and Davey R.J. Molecular speciation controlling stereoselectivity of additives: impact on the habit modification in α-glycine crystals. Cryst. Growth Des. 7 (2007) 254-261
8. S.K. Poornachary, Effects of impurities on crystal growth processes, PhD Thesis, National University of Singapore (2007).
9. Weissbuch I., Addadi L., Berkovitch-Yellin Z., Gati E., Weinstein S., Lahav M., and Leiserowitz L. Centrosymmetric crystals for the direct assignment of the absolute configuration of chiral molecules. Application to the α-amino acids by their effect on glycine crystals. J. Am. Chem. Soc. 105 (1983) 6615-6621
10. Bennema P. Morphology of crystals: past and future. In: van der Eerden J.P., and Bruinsma O.S.L. (Eds). Science and Technology of Crystal Growth (1995), Kluwer, Dordrecht 149-164
11. Hartman P., and Perdok W.G. On the relations between structure and morphology of crystals. I. Acta Crystallogr. 8 (1955) 49-52
12. Materials Studio Modeling, Version 4.0 (2005), Accelrys Software, San Diego, CA
13. Bisker-Leib V., and Doherty M.F. Modeling crystal shape of polar organic materials: application to amino acids. Cryst. Growth Des. 3 (2003) 221-237
14. Svec H.J., and Clyde D.D. Vapor pressures of some α-amino acids. J. Chem. Eng. Data 10 (1965) 151-152
15. Berkovitch-Yellin Z. Toward an ab initio derivation of crystal morphology. J. Am. Chem. Soc. 107 (1985) 8239-8253
16. Hammond R.B., Pencheva K., Ramachandran V., and Roberts K.J. Application of grid-based molecular methods for modeling solvent-dependent crystal growth morphology: aspirin crystallized from aqueous ethanolic solution. Cryst. Growth Des. 7 (2007) 1571-1574
17. Winn D., and Doherty M.F. A new technique for predicting the shape of solution-grown organic crystals. AIChE J. 44 (1998) 2501-2514
18. Carter P.W., Hillier A.C., and Ward M.D. Nanoscale surface topography and growth of molecular crystals: the role of anisotropic intermolecular bonding. J. Am. Chem. Soc. 116 (1994) 944-953
19. Li L., and Rodríguez-Hornedo N. Growth kinetics and mechanism of glycine crystals. J. Cryst. Growth 121 (1992) 33-38
20. Mullin J.W. Crystallization. 4th edn. (2001), Butterworth-Heinemann, Oxford
21. Land T.A., De Yoreo J.J., and Lee J.D. An in-situ AFM investigation of canavalin crystallization kinetics. Surf. Sci. 384 (1997) 136-155
22. Cabrera N., and Vermilyea D. The growth of crystals from solution. In: Doremus R.H., Roberts B.W., and Turnbull D. (Eds). Growth and Perfection of Crystals (1958), Wiley, New York, NY 393-410
23. Land T.A., Martin T.L., Potapenko S., Palmore G.T., and De Yoreo J.J. Recovery of surfaces from impurity poisoning during crystal growth. Nature 399 (1999) 442-445