Antisolvent crystallization: Model identification, experimental validation and dynamic simulation

Chemical Engineering Science

Volumn 63, Issue 22, 2008, Pages 5457-5467

  Mostafa Nowee, S ^a   Abbas, Ali ^a   Romagnoli, Jose A ^b  

^a UNIVERSITY OF SYDNEY   (Australia)

^b LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

Antisolvent crystallization; Kinetics; Parameter identification; Particle size; Pharmaceuticals; Population balance

Indexed keywords

COMPUTER SIMULATION; CRYSTALLIZATION; CRYSTALLIZATION KINETICS; DRUG PRODUCTS; EXPERIMENTS; FEEDING; GRAIN SIZE AND SHAPE; NANOCRYSTALLINE ALLOYS; PARTICLE SIZE; POPULATION STATISTICS;

ANTISOLVENT CRYSTALLIZATION; ANTISOLVENT CRYSTALLIZATIONS; CONTROLLED EXPERIMENTS; CRYSTALLIZATION PROCESSES; DYNAMIC CHANGES; DYNAMIC SIMULATIONS; EXPERIMENTAL VALIDATIONS; FEEDING PROFILES; FEEDRATE; MAXIMUM LIKELIHOOD METHODS; MODEL IDENTIFICATIONS; MODEL-BASED; NUCLEATION AND GROWTHS; PARAMETER IDENTIFICATION; PHARMACEUTICALS; POPULATION BALANCE; POPULATION BALANCE APPROACHES;

MATHEMATICAL MODELS;

EID: 54249125329     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2008.08.003     Document Type: Article

References (44)

1. Abbas, A., 2003. A model-based framework for advanced operation of crystallisation processes: a pilot-scale study. Ph.D. Thesis, University of Sydney, 2003.
2. Abbas A., and Romagnoli J.A. Multiscale modeling, simulation and validation of batch cooling crystallization. Separation and Purification Technology 53 2 (2007) 153-163
3. Akal M.M., Zakaria M., Ebrahim A., and Nassar M.M. Secondary nucleation rate of sodium chloride under different stirring conditions. Journal of Crystal Growth 78 3 (1986) 528-532
4. Bard Y. Nonlinear Parameter Estimation (1974), Academic, New York
5. Beck J.V., and Arnold K.J. Parameter Estimation in Engineering and Science (1977), Wiley, New York
6. Budz J., Karplirskl P.H., Mydlarz J., and Nyvlt J. Salting-out precipitation of cocarboxylase hydrochloride from aqueous solution by addition of acetone. Industrial Engineering and Chemical Product Research and Development 25 4 (1986) 657-664
7. Chen M.R., and Larson M.A. Crystallization kinetics of calcium nitrate tetrahydrate from MSMPR crystallizer. Chemical Engineering Science 40 7 (1985) 1287-1294
8. Doki N., Kubota N., Yokota M., Kimura S., and Sasaki S. Production of sodium chloride crystals of uni-modal size distribution by batch dilution crystallization. Journal of Chemical Engineering of Japan 35 11 (2002) 1099-1104
9. Farelo F., Lopes A.M.C., and Ferra M.I. Solubilities of sodium chloride and potassium chloride in water + ethanol mixtures from 298 to 323 K. Journal of Chemical and Engineering Data 49 6 (2004) 1782-1788
10. Galleguillos H.R., Taboada M.E., Graber T.A., and Bolado S. Compositions, densities, and refractive indices of potassium chloride plus ethanol plus water and sodium chloride plus ethanol plus water solutions at 298.15 and 313.15 K. Journal of Chemical and Engineering Data 48 2 (2003) 405-410
11. Granberg R.A., Bloch D.G., and Rasmuson A.C. Crystallization of paracetamol in acetone-water mixtures. Journal of Crystal Growth 198-199 Part 2 (1999) 1287-1293
12. 4 or NaCl. Journal of Chemical and Engineering Data 39 2 (1994) 245-248
13. Holmback X., and Rasmuson A.C. Size and morphology of benzoic acid crystals produced by drowning-out crystallization. Journal of Crystal Growth 198-199 Part 1 (1999) 780-788
14. Hulburt H.M., and Katz S. Problems in particle technology. A statistical mechanical formulation. Chemical Engineering Science 19 (1964) 555-574
15. Jones A.G., and Mullin J.W. Programmed cooling crystallization of potassium sulphate solutions. Chemical Engineering Science 29 1 (1974) 105-118
16. Kaneko S., Yamagami Y., Tochihara H., and Hirasawa I. Effect of supersaturation on crystal size and number of crystals produced in antisolvent crystallization. Journal of Chemical Engineering of Japan 35 11 (2002) 1219-1223
17. Kim Y., Haam S., Shul Y.G., Kim W.S., Jung J.K., Eun H.C., and Koo K.K. Pseudopolymorphic crystallization of L-ornithine-L-aspartate by drowning out. Industrial & Engineering Chemistry Research 42 4 (2003) 883-889
18. Kitamura M., and Nakamura K. Dependence of polymorphic transformation on antisolvent composition and crystallization behavior of thiazole-derivative pharmaceutical. Journal of Chemical Engineering of Japan 35 11 (2002) 1116-1122
19. Kitamura M., and Sugimoto M. Antisolvent crystallization and transformation of thiazole-derivative polymorphs-I: effect of addition rate and initial concentrations. Journal of Crystal Growth 257 1-2 (2003) 177-184
20. Leonard T., and Hsu J.S.J. Bayesian Methods: An Analysis for Statisticians and Interdisciplinary Researchers (1999), Cambridge University Press, Cambridge, U.K
21. Linnikov O.D. Spontaneous crystallization of sodium chloride from aqueous-ethanol solutions. Part 1. Kinetics and mechanism of the crystallization process. Crystal Research and Technology 41 1 (2006) 10-17
22. Mignon D., Manth T., and Offermann H. Kinetic modelling of batch precipitation reactions. Chemical Engineering Science 51 11 (1996) 2565-2570
23. Muhrer G., Lin C., and Mazzotti M. Modeling the gas antisolvent recrystallization process. Industrial & Engineering Chemistry Research 41 15 (2002) 3566-3579
24. Mullin J.W., and Nyvlt J. Programmed cooling of batch crystallizers. Chemical Engineering Science 26 3 (1971) 369-377
25. Mydlarz J., and Jones A.G. Growth and dissolution kinetics of potassium-sulfate crystals in aqueous 2-propanol solutions. Chemical Engineering Science 44 6 (1989) 1391-1402
26. Mydlarz J., and Jones A.G. Potassium sulfate water-alcohols systems: composition and density of saturated solutions. Journal of Chemical and Engineering Data 35 2 (1990) 214-216
27. Mydlarz J., and Jones A.G. Crystallization and agglomeration kinetics during the batch drowning-out precipitation of potash alum with aqueous acetone. Powder Technology 65 1-3 (1991) 187-194
28. Nonoyama N., Hanaki K., and Yabuki Y. Constant supersaturation control of antisolvent-addition batch crystallization. Organic Process Research & Development 10 4 (2006) 727-732
29. Nowee S.M., Abbas A., and Romagnoli J.A. Optimization in seeded cooling crystallization: a parameter estimation and dynamic optimization study. Chemical Engineering and Processing 46 11 (2007) 1096-1106
30. Nowee S.M., Abbas A., and Romagnoli J.A. Model-based optimal strategies for controlling particle size in antisolvent crystallization operations. Crystal Growth & Design 8 8 (2008) 2698-2706
31. Nyvlt J. Batch salting-out crystallization. Chemical Engineering and Processing 31 1 (1992) 39-42
32. Oosterhof H., Geertman R.M., Witkamp G.J., and van Rosmalen G.M. The growth of sodium nitrate from mixtures of water and isopropoxyethanol. Journal of Crystal Growth 198-199 Part 1 (1999) 754-759
33. Oosterhof H., Witkamp G.J., and van Rosmalen G.M. Some antisolvents for crystallisation of sodium carbonate. Fluid Phase Equilibria 155 2 (1999) 219-227
34. Oosterhof H., Witkamp G.J., and Van Rosmalen G.M. Antisolvent crystallization of anhydrous sodium carbonate at atmospheric conditions. A.I.Ch.E. Journal 47 3 (2001) 602-608
35. Process System Enterprise Ltd., 2001. gPROMS Advanced User Guide, UK.
36. Rawlings J.B., Miller S.M., and Witkowski W.R. Model identification and control of solution crystallization processes: a review. Industrial & Engineering Chemistry Research 32 7 (1993) 1275-1296
37. Taboada M.E., Graber T.A., Asenjo J.A., and Andrews B.A. Drowning-out crystallisation of sodium sulphate using aqueous two-phase systems. Journal of Chromatography, B: Biomedical Sciences and Applications 743 1+2 (2000) 101-105
38. Tai C.Y., and Cheng C.S. Supersaturation and crystal growth in gas antisolvent crystallization. Journal of Crystal Growth 183 4 (1998) 622-628
39. Takiyama H., Otsuhata T., and Matsuoka M. Morphology of NaCl crystals in drowning-out precipitation operation. Chemical Engineering Research and Design 76 A7 (1998) 809-814
40. Toth J., Kardos-Fodor A., and Halasz-Peterfi S. The formation of fine particles by salting-out precipitation. Chemical Engineering and Processing; Pneumatic Conveying and Handling of Particulate Solids 44 2 (2005) 193-200
41. Yeo, P., Abbas, A., Foddi, O., Romagnoli, J.A., 2007. In-situ measurement of NaCl solubility in mixed solvent system using laser-based measurement, submitted for publication.
42. Yu Z.Q., Tan R.B.H., and Chow P.S. Effects of operating conditions on agglomeration and habit of paracetamol crystals in antisolvent crystallization. Journal of Crystal Growth 279 3-4 (2005) 477-488
43. Yu Z.Q., Chow P.S., and Tan R.B.H. Seeding and constant-supersaturation control by ATR-FTIR in antisolvent crystallization. Organic Process Research & Development 10 4 (2006) 717-722
44. Zhou G.X., Fujiwara M., Woo X.Y., Rusli E., Tung H.H., Starbuck C., Davidson O., Ge Z., and Braatz R.B. Direct design of pharmaceutical antisolvent crystallization through concentration control. Crystal Growth & Design 6 4 (2006) 892-898