Issue
Korean Journal of Chemical Engineering,
Vol.21, No.4, 829-835, 2004
Chromatographic Separation of Bupivacaine Racemate by Mathematical Model with Competitive Langmuir Isotherm
HPLC (High Performance Liquid Chromatography) was utilized for the chiral separation of racemic bupivacaine, and mathematical modeling with competitive Langmuir isotherm was performed to determine the optimum feed condition. For each racemic compound, the isotherm parameters a, b and mass transfer coefficients k were obtained by parameter estimation and maximum likelihood method. The agreement of elution profiles between the experimental data and the calculated values was fairly good. In order to find the optimum separation condition, simulations were carried out to determine the feed conditions such as concentration and injection volume. To preparatively separate racemic bupivacaine, the desirable injection volumes were 0.05 ml at 2.0 mg/ml of the concentration of racemic mixture or 0.01 ml at 20 mg/ml.
[References]
  1. Anderson DA, Tannehill JC, Pletcher RH, "Computational Fluid Mechanics and Heat Transfer," McGraw-Hill, New York, 1992
  2. Arney DC, Flaherty JE, ACM Trans. Math. Soft., 16(1), 48, 1990
  3. Bailly M, Tondeur D, Chem. Eng. Sci., 37, 1199, 1982
  4. Barton PI, Pantelides CC, AIChE J., 40(6), 966, 1994
  5. Carey F, Finlayson BA, Chem. Eng. Sci., 30, 587, 1975
  6. Carver MB, "Method of Lines Solution of Differential Equations Fundamental Principles and Recent Extensions," in Mah, R.S.H. and Seider, W.D., editors, Foundations of Computer-Aided Process Design, Engineering Foundation, New York, 1981
  7. Choi YS, Lee JW, Koo YM, Row KH, Choi DK, Korean J. Chem. Eng., 17(6), 625, 2000
  8. Finlayson BA, Chem. Eng. Sci., 26, 1081, 1971
  9. "gPROMS v2.2 User Guide," Process Systems Enterprise Ltd., London, 2003
  10. Jarvis RB, Pantelides CC, "DASOLV - A Differential-algebraic Equation Solver," Technical report, Centre for Process Systems Engineering, Imperial College, London, 1992
  11. Lee JW, Row KH, Korean J. Chem. Eng., 19(6), 978, 2002
  12. Medvedovici A, Sandra P, Toribio L, David F, J. Chromatogr. A, 785, 159, 1997
  13. Miller K, Miller RN, SIAM J. Numer. Anal., 18, 1019, 1981
  14. Oh M, "Modelling and Simulation of Combined Lumped and Distributed Processes," Ph.D. Thesis, University of London, London, 1995
  15. Pantakar V, "Numerical Heat Transfer and Fluid Flow," McGraw-Hill, New York, 1980
  16. Pilipis G, "Higher Order Moving Finite Element Methods for Systems Described by Partial Differential - algebraic Equations," Ph.D. Thesis, University of London, London, 1990
  17. Row KH, "Principles and Applications of Liquid Chromatography," Inha Press, Incheon, 1999
  18. Schiesser WE, "An Introduction to the Numerical Method of Lines Integration of Partial Differential Equations (Differential Systems Simulator, Version 2)," Lehigh Universities and Naval Air Development Center, 1977
  19. Schiesser WE, "The Numerical Method of Lines," Academic Press, New York, 1991
  20. Slater MJ, "The Principles of Ion Exchange Technology," Butterworth Heinemann, Oxford, 1991
  21. Strang G, Fox GJ, "An Analysis of the Finite Element Method," Prentice-Hall, New Jersey, 1973
  22. Verwer G, Blom JG, Furzeland RM, Zegeling PA, "A Moving Grid Method for One-Dimensional PDEs Based on the Method of Lines," in Flaherty, J.E., Paslow, P.J., Shephard, M.S. and Vasilakis, J.D., editors, Adaptive Methods for Partial Differential Equations, Clarendon Press, Oxford, 1989
  23. Villadsen J, Mechelsen ML, "Solution of Differential Equation Models by Polynomial Approximation," Prentice-Hall, Englewood Cliffs, NJ, 1978
  24. Yang HY, Shin MH, Chang HK, Jang MH, Lee TH, Kim YJ, Chung JH, Kim CJ, Neurosci. Lett., 344, 33, 2003