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Issue
Korean Journal of Chemical Engineering,
Vol.21, No.1, 147-167, 2004
Recent Advances in Polymer Reaction Engineering: Modeling and Control of Polymer Properties
Yoon WJ, Kim YS, Kim IS, Choi KY
Complex reaction kinetics and mechanisms, physical changes and transport effects, non-ideal mixing, and strong process nonlinearity characterize polymerization processes. Polymer reaction engineering is a discipline that deals with various problems concerning the fundamental nature of chemical and physical phenomena in polymerization processes. Mathematical modeling is a powerful tool for the development of process understanding and advanced reactor technology in the polymer industry. This review discusses recent developments in modeling techniques for the calculation of polymer properties including molecular weight distribution, copolymer composition distribution, sequence length distribution and long chain branching. The application of process models to the design of model-based reactor optimizations and controls is also discussed with some examples.
Keywords: Polymer Reaction Engineering; Mathematical Modeling; Polymerization Kinetics; Polymer Reactor Optimization; Polymer Reactor Control; Parameter Estimation
[References]
  1. Anantawaraskul S, Soares JBP, Wood-Adams PM, "Chemical Composition Distribution of Multicomponent Random Copolymers," Paper presented at Polymer Reaction Engineering V, Quebec, Canada, May, 2003
  2. Arzamendi G, Asua JM, Macromolecules, 28(22), 7479, 1995
  3. Bergstrom CH, Sperlich BR, Ruotoistenmaki J, Seppala JV, J. Polym. Sci. A: Polym. Chem., 36(10), 1633, 1998
  4. Bon SA, Bosveld M, Klumperman B, German AL, Macromolecules, 30(2), 324, 1997
  5. Bouzid D, McKenna TF, "Evolution of Particle Morphology During the Production of High Impact Polypropylene," Paper Presented at Polymer Reaction Engineering V, Quebec, Canada, May, 2003
  6. de Brouwer H, Tsavalas JG, Schork FJ, Monteiro MJ, Macromolecules, 33(25), 9239, 2000
  7. Butala DN, Fan MKH, Choi KY, Comput. Chem. Eng., 12(11), 1115, 1988
  8. Butala DN, Liang WR, Choi KY, J. Appl. Polym. Sci., 44, 1759, 1992
  9. Butte A, Ghielmi A, Storti G, Morbidelli M, Macromol. Theory Simul., 8, 498, 1999
  10. Butte A, Storti G, Morbidelli M, Chem. Eng. Sci., 54(15-16), 3225, 1999
  11. Butte A, Storti G, Morbidelli M, Macromolecules, 33(9), 3485, 2000
  12. Carrot C, Guillet J, J. Rheol., 41(5), 1203, 1997
  13. Chatzidoukas C, Perkins JD, Pistikopoulos EN, Kiparissides C, Chem. Eng. Sci., 58(16), 3643, 2003
  14. Chen CC, "An Industry Perspective on Polymer Process Modeling," CAST Communications, Summer, [www.castdiv.org/summer02.htm], 2002
  15. Chien DCH, Penlidis A, J. Macromol. Sci.-Rev. Macromol. Chem. Phys., C30(1), 1, 1990
  16. Choi KY, "Modeling of Polymerization Processes," in Computer Adied Design of Catalysts; Becker, E.R., Pereira, C.J., Eds., 335, Marcel Dekker, New York, 1993
  17. Choi KY, Ray WH, Chem. Eng. Sci., 40(12), 2261, 1985
  18. Choi KY, Ray WH, Chem. Eng. Sci., 43(10), 2587, 1986
  19. Chum S, Oswald T, "Using Polymer Structure/Property Models to Accelerate the Development of Industrially Significant Applications for Polyolefins," Paper Presented at Polymer Reaction Engineering, V, Quebec, Canada, May, 2003
  20. Chum PS, Kao CI, Knight GW, "Structure and Properties of Polyolefin Plastomers and Elastomers Produced from the Single Site, Constrained Geometry Catalyst," Paper presented at Polyolefins IX, Houston, TX, 1995
  21. Congalidis JP, Richards JR, Ray WH, AIChE J., 35(6), 891, 1989
  22. Congalidis JP, Richards JR, Polym. React. Eng., 6(2), 71, 1998
  23. Crowley TJ, Choi KY, Ind. Eng. Chem. Res., 36(5), 1419, 1997
  24. Crowley TJ, Choi KY, Ind. Eng. Chem. Res., 36(9), 3676, 1997
  25. Crowley TJ, Choi KY, J. Appl. Polym. Sci., 70(5), 1017, 1998
  26. Crowley TJ, Choi KY, Chem. Eng. Sci., 53(15), 2769, 1998
  27. Crowley TJ, Choi KY, Polym. React. Eng., 7(1), 43, 1999
  28. Crowley TJ, Choi KY, Comput. Chem. Eng., 23(9), 1153, 1999
  29. Cunningham MF, Prog. Polym. Sci., 27, 1039, 2002
  30. Debling JA, Han GC, Kuijpers F, Verburg J, Zacca J, Ray WH, AIChE J., 40(3), 506, 1994
  31. Dotson NA, Galvan R, Laurence RL, Tirrell M, "Polymerization Process Modeling," VCH Publishers, New York, 1996
  32. Doyle FJ, Soroush M, Cordeiro C, AIChE Symp. Ser., 98, 290, 2002
  33. Dube MA, Soares JB, Penlidis A, Hamielec AE, Ind. Eng. Chem. Res., 36(4), 966, 1997
  34. Flores-Cerrillo J, MacGregor JF, Ind. Eng. Chem. Res., 42(14), 3334, 2003
  35. Floyd S, Choi KY, Taylor TW, Ray WH, J. Appl. Polym. Sci., 31, 2231, 1986
  36. Floyd S, Heiskanen T, Taylor TW, Ray WH, J. Appl. Polym. Sci., 33, 1021, 1987
  37. Georges MK, Veregin RPN, Kazmaier PM, Hamer GK, Macromolecules, 26, 2987, 1993
  38. Goldwasser JM, Rudin A, Elsdon WL, J. Liq. Chromatogr., 5, 2253, 1982
  39. Goldwasser JM, Rudin A, J. Liq. Chromatogr., 6, 2433, 1983
  40. Grof Z, Kosek J, Marek M, Adler PM, AIChE J., 49(4), 1002, 2003
  41. Guan Z, Chen G, Ma SXS, Polym. Prepr., 44(2), 14, 2003
  42. Han CD, Kwack TH, J. Appl. Polym. Sci., 28, 3399, 1983
  43. Han CD, Kim YJ, Chuang HK, Kwack TH, J. Appl. Polym. Sci., 28, 3435, 1983
  44. Holderle M, Baumert M, Mulhaupt R, Macromolecules, 30(11), 3420, 1997
  45. Hutchinson RA, Ray WH, J. Appl. Polym. Sci., 34, 657, 1987
  46. Jeong BG, Yoo KY, Rhee HK, Ind. Eng. Chem. Res., 40(25), 5968, 2001
  47. Keil K, "The Use of High Throughput Screening Tools in Polymer Reaction Engineering," Paper Presented at Polymer Reaction Engineering V, Quebec, Canada, May, 2003
  48. Kim KJ, Choi KY, J. Process Control, 1, 96, 1991
  49. Kim KJ, Choi KY, Alexander JC, Polym. Eng. Sci., 30(5), 279, 1990
  50. Kim KJ, Choi KY, Alexander JC, Polym. Eng. Sci., 31(5), 333, 1991
  51. Kim KJ, Choi KY, Alexander JC, Polym. Eng. Sci., 32(7), 494, 1992
  52. Kim JD, Soares JBP, Rempel GL, J. Polym. Sci. A: Polym. Chem., 37(3), 331, 1999
  53. Kiparissides C, Chem. Eng. Sci., 51(10), 1637, 1996
  54. Kittilsen P, McKenna T, Svendsen H, "The Interaction Between Mass Transfer Effects and Morphology in Heterogeneous Olefin Polymerization," Paper Presented at the First Eur. Conf. on React. Eng. of Polyolefins, Lyon, France, July, 2000
  55. Kosek J, Grof Z, Salejova G, Marek G, "Modeling of the Morphogenesis of Polyolefin Particles in Catalytic Reactors," Paper Presented at Polymer Reaction Engineering V, Quebec, Canada, May, 2003
  56. Lavallee C, Berker A, J. Rheol., 41(4), 851, 1997
  57. Matyjaszewski K, Patten TE, Xia JH, J. Am. Chem. Soc., 119(4), 674, 1997
  58. McAuley KB, MacGregor JF, AIChE J., 38, 1564, 1992
  59. McKenna TF, Spitz R, Kittilsen P, Mattioli V, Martin C, "Single Particle Transfer Phenomena: A Review and Future Directions," ECOREP, Lyon, France, July, 2000
  60. Oqunnaike BA, IEEE Control Systems, 41, 1995
  61. Papavasiliou G, Birol I, Teymour F, Macromol. Theory Simul., 11, 533, 2002
  62. Park MJ, Rhee HK, Chem. Eng. Sci., 58(3-6), 603, 2003
  63. Park SY, Choi KY, Song KH, Jeong BG, Macromolecules, 36(11), 4216, 2003
  64. Park SY, "A Study on the Kinetics of Ethylene-norbornene Copolymerization over Homogeneous Metallocene Catalysts," Ph.D. Thesis, University of Maryland, College Park, 2003
  65. Peterson T, Hernandez E, Arkun Y, Schork FJ, Chem. Eng. Sci., 47(4), 737, 1992
  66. Pladis P, Kiparissides C, Chem. Eng. Sci., 53(18), 3315, 1998
  67. Ray WH, J. Macromol. Sci.-Rev. Macromol. Chem. Phys., C8, 1, 1972
  68. Scali C, Ciari R, Bello T, Maschio G, J. Appl. Polym. Sci., 55(6), 945, 1995
  69. Schork FJ, Desphande PB, Leffew KW, "Control of Polymerization Reactors," Marcel Dekker, New York, 1993
  70. Seki H, Ogawa M, Ooyama S, Akamatsu K, Ohshima M, Yang W, Control Eng. Practice, 9(8), 819, 2001
  71. Sirohi A, Choi KY, Ind. Eng. Chem. Res., 35(4), 1332, 1996
  72. Soares JB, Hamielec AE, Polymer, 36(8), 1639, 1995
  73. Soares JBP, Hamielec AE, Macromol. Theory Simul., 4, 305, 1995
  74. Soares JBP, Hamielec AE, Macromol. Theory Simul., 5, 547, 1996
  75. Soares JBP, Hamielec AE, Macromol. Theory Simul., 6, 591, 1997
  76. Soares JB, Kim JD, Rempel GL, Ind. Eng. Chem. Res., 36(4), 1144, 1997
  77. Teymour F, Campbell JD, Macromolecules, 27(9), 2460, 1994
  78. Teymour F, "The Use of Digital Encoding for Modeling Copolymerization Systems," Paper Presented at Polymer Reaction Engineering V, Quebec, Canada, 2003
  79. Tritto I, Boggioni L, Jansen J, Thorshaug K, Sacchi MC, Ferro DR, "Ethylene-norbornene Copolymer Microstructure at Tetrad Level: Advances in Assignments of 13C NMR Spectra and Insights on Polymerization Mechanisms," Paper Presented at Int. Symp. on Polyolefins and Olefin Polymerization Catalysis, Tokyo, Japan, March 21-24, 2001
  80. Tritto I, Boggioni L, Jansen JC, Thorshaug K, Sacchi MC, Ferro DR, Macromolecules, 35(3), 616, 2002
  81. Tullo AH, Chem. Eng. News, 79(43), 35, 2001
  82. Wang Y, Seki H, Ohyama S, Akamatsu K, Ogawa M, Ohshima M, Comput. Chem. Eng., 24(2-7), 1555, 2000
  83. Weng WQ, Hu WG, Dekmezian AH, Ruff CJ, Macromolecules, 35(10), 3838, 2002
  84. Weng W, Hu W, Dekmezian AH, Polym. Prepr., 44(2), 17, 2003
  85. Wulkow M, Macromol. Theory Simul., 5, 393, 1996
  86. Wulkow M, (Computer in Technology, http://www.cit-wulkow.de/), personal communication, 2003
  87. Yiannoulakis H, Yiagopoulos A, Pladis P, Kiparissides C, Macromolecules, 33(7), 2757, 2000
  88. Yoon WJ, Ryu JH, Cheong C, Choi KY, Macromol. Theory Simul., 7, 327, 1998
  89. Yoon WJ, "Modeling of Industrial Styrene Polymerization Process," unpublished work, 2003
  90. Young RE, Bartusiak RD, Fontaine RW, AIChE Symp. Ser., 98, 342, 2002
  91. Zhang M, Ray WH, J. Appl. Polym. Sci., 86(7), 1630, 2002
  92. Zhu S, Li D, Macromol. Theory Simul., 6, 793, 1997
[Cited By]
  1. Moon BH, Ju CS, Korean Chemical Engineering Research, 51(5), 545, 2013
  2. Moon BH, Ju CS, Korean Chemical Engineering Research, 52(1), 40, 2014
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