An integrated approach for dynamic flowsheet modeling and sensitivity analysis of a continuous tablet manufacturing process

Computers and Chemical Engineering

Volumn 42, Issue , 2012, Pages 30-47

  Boukouvala, Fani ^a   Niotis, Vasilios ^a   Ramachandran, Rohit ^a   Muzzio, Fernando J ^a   Ierapetritou, Marianthi G ^a  

^a The State University of New Jersey   (United States)

Author keywords

Dynamic flowsheet simulation; Pharmaceutical manufacturing; Population balance modeling; Sensitivity analysis

Indexed keywords

BULK DENSITY; DRY GRANULATION; DYNAMIC SENSITIVITY ANALYSIS; FLOW SHEET SIMULATION; FLOWSHEET; INTEGRATED APPROACH; INTEGRATED SIMULATIONS; MANUFACTURING PROCESS; MATERIAL PROPERTY; MEAN PARTICLE SIZE; MODEL DEVELOPMENT; PHARMACEUTICAL MANUFACTURING; PHARMACEUTICAL PROCESS; PHARMACEUTICAL PRODUCTS; POPULATION BALANCE MODELING; POPULATION BALANCES; POWDER-BASED PRODUCTS; PREDICTIVE PROCESS; PROCESS PARAMETERS; PRODUCT QUALITY; SOURCES OF VARIABILITY;

COMPUTER SIMULATION; DRUG PRODUCTS; FLOWCHARTING; INDUSTRIAL RESEARCH; MANUFACTURE; POPULATION STATISTICS; PRODUCT DESIGN; SENSITIVITY ANALYSIS;

INDUSTRIAL APPLICATIONS;

EID: 84861574281     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compchemeng.2012.02.015     Document Type: Article

References (96)

1. Akande O.F., Rubinstein M.H., Ford J.L. Examination of the compaction properties of a 1:1 acetaminophen: Microcrystalline cellulose mixture using precompression and main compression. Journal of Pharmaceutical Sciences 1997, 86(8):900-907.
2. Am Ende M.T., Moses S.K., Carella A.J., Gadkari R.A., Graul T.W., Otano A.L., et al. Improving the content uniformity of a low-dose tablet formulation through roller compaction optimization. Pharmaceutical Development and Technology 2007, 12(4):391-404.
3. Baxter J., Abou-Chakra H., TüZün U., Mills Lamptey B. A DEM simulation and experimental strategy for solving fine powder flow problems. Chemical Engineering Research and Design 2000, 78(7):1019-1025.
4. Bertrand F., Leclaire L.A., Levecque G. DEM-based models for the mixing of granular materials. Chemical Engineering Science 2005, 60(8-9):2517-2531.
5. Betz G., Junker-Bürgin P., Leuenberger H. Batch and continuous processing in the production of pharmaceutical granules. Pharmaceutical Development and Technology 2003, 8(3):289-297.
6. Biegler L.T., Grossmann I.E. Retrospective on optimization. Computers & Chemical Engineering 2004, 28(8):1169-1192.
7. Biegler L.T., Grossmann I.E., Westerberg A.W. Systematic methods of chemical process design 1997, Prentice Hall PTR, Upper Saddle River, NJ.
8. Boukouvala F., Dubey A., Vanarase A., Muzzio F., Ierapetritou M.G. Computational approaches for studying the granular dynamics of continuous blending processes, 2-Population balance and data-based methods. Macromolecular Materials and Engineering 2012, 297(1):9.
9. Boukouvala F., Muzzio F.J., Ierapetritou M.G. Predictive modeling of pharmaceutical processes with missing and noisy data. AIChE Journal 2010, 56(11):2860-2872.
10. Boukouvala F., Muzzio F., Ierapetritou M. Design space of pharmaceutical processes using data-driven-based methods. Journal of Pharmaceutical Innovation 2010, 5(3):119-137.
11. Campolongo F., Saltelli A. Sensitivity analysis of an environmental model an application of different analysis methods. Reliability Engineering & System Safety 1997, 57(1):49-69.
12. Campolongo F., Saltelli A., Cariboni J. Screening important inputs in models with strong interaction properties. Reliability Engineering & System Safety 2009, 94(7):1149-1155.
13. Campolongo F., Saltelli A., Cariboni J. From screening to quantitative sensitivity analysis. A unified approach. Computer Physics Communications 2011, 182(4):978-988.
14. Chhatre S., Francis R., Newcombe A.R., Zhou Y.H., Titchener-Hooker N., King J., et al. Global Sensitivity Analysis for the determination of parameter importance in bio-manufacturing processes. Biotechnology and Applied Biochemistry 2008, 51:79-90.
15. Cunningham J.C., Winstead D., Zavaliangos A. Understanding variation in roller compaction through finite element-based process modeling. Computers & Chemical Engineering 2010, 34(7):1058-1071.
16. Dec R.T., Zavaliangos A., Cunningham J.C. Comparison of various modeling methods for analysis of powder compaction in roller press. Powder Technology 2003, 130(1-3):265-271.
17. Dubey A., Sarkar A., Ierapetritou M., Wassgren C.R., Muzzio F.J. Computational approaches for studying the granular dynamics of continuous blending processes, 1-DEM based methods. Macromolecular Materials and Engineering 2011, 296(3-4):290-307.
18. Engisch W., Muzzio F.J. Hopper refill of loss-in-weight feeding equipment. AIChE annual conference 2010.
19. Faqih A.N., Alexander A.W., Muzzio F.J., Tomassone M.S. A method for predicting hopper flow characteristics of pharmaceutical powders. Chemical Engineering Science 2007, 62(5):1536-1542.
20. Gao Y., Ierapetritou M., Muzzio F. Investigation on the effect of blade patterns on continuous solid mixing performance. The Canadian Journal of Chemical Engineering 2011, 89(5):969-984.
21. Gao Y., Muzzio F., Ierapetritou M. Characterization of feeder effects on continuous solid mixing using Fourier series analysis. AIChE Journal 2011, 57(5):1144-1153.
22. Gao Y., Vanarase A., Muzzio F., Ierapetritou M. Characterizing continuous powder mixing using residence time distribution. Chemical Engineering Science 2011, 66(3):417-425.
23. Garcia T., Cook G., Nosal R. PQLI Key topics - Criticality: Design space, and control strategy. Journal of Pharmaceutical Innovation 2008, 3(2):60-68.
24. Gernaey K.V., Gani R. A model-based systems approach to pharmaceutical product-process design and analysis. Chemical Engineering Science 2010, 65(21):5757-5769.
25. Gonnissen Y., Gonçalves S.I.V., De Geest B.G., Remon J.P., Vervaet C. Process design applied to optimise a directly compressible powder produced via a continuous manufacturing process. European Journal of Pharmaceutics and Biopharmaceutics 2008, 68(3):760-770.
26. Gorsek A., Glavic P. Design of batch versus continuous processes: Part I. Single-purpose equipment. Chemical Engineering Research and Design 1997, 75(7):709-717.
27. Gruhn G., Werther J., Schmidt J. Flowsheeting of solids processes for energy saving and pollution reduction. Journal of Cleaner Production 2004, 12(2):147-151.
28. Hassanpour A., Tan H.S., Bayly A., Gopalkrishnan P., Ng B., Ghadiri M. Analysis of particle motion in a paddle mixer using Discrete Element Method (DEM). Powder Technology 2011, 206(1-2):189-194.
29. Haware R.V., Tho I., Bauer-Brandl A. Application of multivariate methods to compression behavior evaluation of directly compressible materials. European Journal of Pharmaceutics and Biopharmaceutics 2009, 72(1):148-155.
30. Hein S., Picker-Freyer K.M., Langridge J. Simulation of roller compaction with subsequent tableting and characterization of lactose and microcrystalline cellulose. Pharmaceutical Development and Technology 2008, 13(6):523-532.
31. Henao C.A., Maravelias C.T. Surrogate-based superstructure optimization framework. AIChE Journal 2011, 57(5):1216-1232.
32. Hsu S.-H., Reklaitis G., Venkatasubramanian V. Modeling and control of roller compaction for pharmaceutical manufacturing. Part I: Process dynamics and control framework. Journal of Pharmaceutical Innovation 2010, 5(1):14-23.
33. Hu D., Yuan J.M. Time-dependent sensitivity analysis of biological networks: Coupled MAPK and PI3K signal transduction pathways. Journal of Physical Chemistry A 2006, 110(16):5361-5370.
34. Huang J., Kaul G., Cai C., Chatlapalli R., Hernandez-Abad P., Ghosh K., et al. Quality by design case study: An integrated multivariate approach to drug product and process development. International Journal of Pharmaceutics 2009, 382(1-2):23-32.
35. Immanuel C.D., Doyle F.J. Solution technique for a multi-dimensional population balance model describing granulation processes. Powder Technology 2005, 156(2-3):213-225.
36. Jain S. Mechanical properties of powders for compaction and tableting: An overview. Pharmaceutical Science & Technology Today 1999, 2(1):20-31.
37. Johanson J.R. A rolling theory for granular solids. Journal of Applied Mechanics 1965, 32(4):842-848.
38. Ketterhagen W.R., Curtis J.S., Wassgren C.R., Hancock B.C. Modeling granular segregation in flow from quasi-three-dimensional: Wedge-shaped hoppers. Powder Technology 2008, 179(3):126-143.
39. Klatt K.-U., Marquardt W. Perspectives for process systems engineering - Personal views from academia and industry. Computers & Chemical Engineering 2009, 33(3):536-550.
40. Kushner Jt., Moore F. Scale-up model describing the impact of lubrication on tablet tensile strength. International Journal of Pharmaceutics 2010, 399(1-2):19-30.
41. Lepore J., Spavins J. PQLI design space. Journal of Pharmaceutical Innovation 2008, 3(2):79-87.
42. Leuenberger H. New trends in the production of pharmaceutical granules: Batch versus continuous processing. European Journal of Pharmaceutics and Biopharmaceutics 2001, 52(3):289-296.
43. Lionberger R., Lee S., Lee L., Raw A., Yu L. Quality by design: Concepts for ANDAs. The AAPS Journal 2008, 10(2):268-276.
44. Marino S., Hogue I.B., Ray C.J., Kirschner D.E. A methodology for performing global uncertainty and sensitivity analysis in systems biology. Journal of Theoretical Biology 2008, 254(1):178-196.
45. Matsoukas T., Kim T., Lee K. Bicomponent aggregation with composition-dependent rates and the approach to well-mixed state. Chemical Engineering Science 2009, 64(4):787-799.
46. McKenzie P., Kiang S., Tom J., Rubin A.E., Futran M. Can pharmaceutical process development become high tech?. AIChE Journal 2006, 52(12):3990-3994.
47. Mendez R., Muzzio F., Velazquez C. Study of the effects of feed frames on powder blend properties during the filling of tablet press dies. Powder Technology 2010, 200(3):105-116.
48. Michaut F., Busignies V., Fouquereau C., de Barochez B.H., Leclerc B., Tchoreloff P. Evaluation of a rotary tablet press simulator as a tool for the characterization of compaction properties of pharmaceutical products. Journal of Pharmaceutical Sciences 2010, 99(6):2874-2885.
49. Mizonov V., Berthiaux H., Marikh K., Ponomarev D., Barantzeva E. Modeling continuous powder mixing by means of the theory of Markov chains. Particulate Science and Technology 2004, 22(4):379-389.
50. Ng K.M. Design and development of solids processes - A process systems engineering perspective. Powder Technology 2002, 126(3):205-210.
51. Ng K.M., Fung K.Y. Product-centered processing: Pharmaceutical tablets and capsules. AIChE Journal 2003, 49(5):1193-1215.
52. Nosal R., Schultz T. PQLI definition of criticality. Journal of Pharmaceutical Innovation 2008, 3(2):69-78.
53. Oh M., Pantelides C.C. A modelling and simulation language for combined lumped and distributed parameter systems. Computers & Chemical Engineering 1996, 20(6-7):611-633.
54. Pinto M.A., Immanuel C.D., Doyle F.J. A feasible solution technique for higher-dimensional population balance models. Computers & Chemical Engineering 2007, 31(10):1242-1256.
55. Pinto M.A., Immanuel C.D., Doyle F.J. A two-level discretisation algorithm for the efficient solution of higher-dimensional population balance models. Chemical Engineering Science 2008, 63(5):1304-1314.
56. Plumb K. Continuous processing in the pharmaceutical industry: Changing the mind set. Chemical Engineering Research and Design 2005, 83(6):730-738.
57. Poon J.M.H., Ramachandran R., Sanders C.F.W., Glaser T., Immanuel C.D., Doyle F.J., et al. Experimental validation studies on a multi-dimensional and multi-scale population balance model of batch granulation. Chemical Engineering Science 2009, 64(4):775-786.
58. Portillo P.M., Ierapetritou M.G., Muzzio F.J. Effects of rotation rate: Mixing angle, and cohesion in two continuous powder mixers - A statistical approach. Powder Technology 2009, 194(3):217-227.
59. Portillo P.M., Muzzio F.J., Ierapetritou M.G. Characterizing powder mixing processes utilizing compartment models. International Journal of Pharmaceutics 2006, 320(1-2):14-22.
60. Portillo P.M., Muzzio F.J., Ierapetritou M.G. Hybrid DEM-compartment modeling approach for granular mixing. AIChE Journal 2007, 53(1):119-128.
61. Portillo P., Muzzio F., Ierapetritou M. Using compartment modeling to investigate mixing behavior of a continuous mixer. Journal of Pharmaceutical Innovation 2008, 3(3):161-174.
62. Ramachandran R., Ansari M.A., Chaudhury A., Kapadia A., Prakash A.V., Stepanek F. A quantitative assessment of the influence of primary particle size polydispersity on granule inhomogeneity. Chemical Engineering Science 2012, 71:104-110. ISSN 0009-2509.
63. Ramachandran R., Arjunan J., Chaudhury A., Ierapetritou M.G. Model-based control-loop performance assessment of a continuous direct compaction pharmaceutical process. Journal of Pharmaceutical Innovation 2011, 6:249-263.
64. Ramachandran R., Barton P.I. Effective parameter estimation within a multi-dimensional population balance model framework. Chemical Engineering Science 2010, 65(16):4884-4893.
65. Ramachandran, R., & Chaudhury, A. Model-based design and control of a continuous drum granulation process. Chemical Engineering Research and Design, Available online 11 November 2011, ISSN 0263-8762, doi:10.1016/j.cherd.2011.10.022.
66. Ramachandran R., Immanuel C.D., Stepanek F., Litster J.D., Doyle F.J. A mechanistic model for breakage in population balances of granulation: Theoretical kernel development and experimental validation. Chemical Engineering Research and Design 2009, 87(4):598-614.
67. Remy B., Canty T.M., Khinast J.G., Glasser B.J. Experiments and simulations of cohesionless particles with varying roughness in a bladed mixer. Chemical Engineering Science 2010, 65(16):4557-4571.
68. Remy B., Khinast J.G., Glasser B.J. Discrete element simulation of free flowing grains in a four-bladed mixer. AIChE Journal 2009, 55(8):2035-2048.
69. Remy B., Khinast J.G., Glasser B.J. The effect of mixer properties and fill level on granular flow in a bladed mixer. AIChE Journal 2010, 56(2):336-353.
70. Saltelli A. Sensitivity analysis in practice: A guide to assessing scientific models 2004, Wiley.
71. Saltelli A., Chan K., Scott E.M. Sensitivity analysis 2000, Wiley, Chichester; New York.
72. Saltelli A., Ratto M., Tarantola S., Campolongo F., Commission E. Sensitivity analysis practices: Strategies for model-based inference. Reliability Engineering & System Safety 2006, 91(10-11):1109-1125.
73. Saltelli A., Tarantola S., Campolongo F. Sensitivity analysis as an ingredient of modeling. Statistical Science 2000, 15(4):377-395.
74. Sarkar A., Wassgren C.R. Simulation of a continuous granular mixer: Effect of operating conditions on flow and mixing. Chemical Engineering Science 2009, 64(11):2672-2682.
75. Sarkar A., Wassgren C. Continuous blending of cohesive granular material. Chemical Engineering Science 2010, 65(21):5687-5698.
76. Savage S.B. The mass flow of granular materials derived from coupled velocity-stress fields. British Journal of Applied Physics 1965, 16(12):1885.
77. Savage S.B., Sayed M. Gravity flow of coarse cohesionless granular materials in conical hoppers. Zeitschrift für Angewandte Mathematik und Physik (ZAMP) 1981, 32(2):125-143.
78. Schaber S.D., Gerogiorgis D.I., Ramachandran R., Evans J.M.B., Barton P.I., Trout B.L. Economic analysis of integrated continuous and batch pharmaceutical manufacturing: A case study. Industrial & Engineering Chemistry Research 2011, 50(17):10083-10092.
79. Schwier D., Hartge E.U., Werther J., Gruhn G. Global sensitivity analysis in the flowsheet simulation of solids processes. Chemical Engineering and Processing 2010, 49(1):9-21.
80. Seitz J.A., Flessland G.M. Evaluation of the physical properties of compressed tablets I. Tablet hardness and friability. Journal of Pharmaceutical Sciences 1965, 54(9):1353-1357.
81. Sinka I.C., Cunningham J.C., Zavaliangos A. The effect of wall friction in the compaction of pharmaceutical tablets with curved faces: A validation study of the Drucker-Prager Cap model. Powder Technology 2003, 133(1-3):33-43.
82. Sobol I.M. Global sensitivity indices for nonlinear mathematical models and their Monte Carlo estimates. Mathematics and Computers in Simulation 2001, 55(1-3):271-280.
83. Soh J.L.P., Wang F., Boersen N., Pinal R., Peck G.E., Carvajal M.T., et al. Utility of multivariate analysis in modeling the effects of raw material properties and operating parameters on granule and ribbon properties prepared in roller compaction. Drug Development and Industrial Pharmacy 2008, 34(10):1022-1035.
84. Sudah O.S., Chester A.W., Kowalski J.A., Beeckman J.W., Muzzio F.J. Quantitative characterization of mixing processes in rotary calciners. Powder Technology 2002, 126(2):166-173.
85. Turkoglu M., Aydin I., Murray M., Sakr A. Modeling of a roller-compaction process using neural networks and genetic algorithms. European Journal of Pharmaceutics and Biopharmaceutics 1999, 48(3):239-245.
86. Verkoeijen D., Pouw G.A., Meesters G.M.H., Scarlett B. Population balances for particulate processes - A volume approach. Chemical Engineering Science 2002, 57(12):2287-2303.
87. Wang J., Wen H., Desai D. Lubrication in tablet formulations. European Journal of Pharmaceutics and Biopharmaceutics 2010, 75(1):1-15.
88. Wassgren C., Freireich B., Li J.F., Litster J. Incorporating particle flow information from discrete element simulations in population balance models of mixer-coaters. Chemical Engineering Science 2011, 66(16):3592-3604.
89. Weir G.J. A mathematical model for dilating: Non-cohesive granular flows in steep-walled hoppers. Chemical Engineering Science 2004, 59(1):149-161.
90. Werther J., Reimers C., Gruhn G. Flowsheet simulation of solids processes - Data reconciliation and adjustment of model parameters. Chemical Engineering and Processing 2008, 47(1):138-158.
91. Werther J., Reimers C., Gruhn G. Design specifications in the flowsheet simulation of complex solids processes. Powder Technology 2009, 191(3):260-271.
92. Werther J., Toebermann J.C., Rosenkranz J., Gruhn G. Block-oriented process simulation of solids processes. Computers & Chemical Engineering 2000, 23(11-12):1773-1782.
93. Winkel M.L., Zullo L.C., Verheijen P.J.T., Pantelides C.C. Modelling and simulation of the operation of an industrial batch plant using gproms. Computers & Chemical Engineering 1995, 19:571-576.
94. Wu H., Heilweil E.J., Hussain A.S., Khan M.A. Process analytical technology (PAT): Effects of instrumental and compositional variables on terahertz spectral data quality to characterize pharmaceutical materials and tablets. International Journal of Pharmaceutics 2007, 343(1-2):148-158.
95. Yu L. Pharmaceutical quality by design: Product and process development, understanding, and control. Pharmaceutical Research 2008, 25(4):781-791.
96. Zinchuk A.V., Mullarney M.P., Hancock B.C. Simulation of roller compaction using a laboratory scale compaction simulator. International Journal of Pharmaceutics 2004, 269(2):403-415.