Korean Journal of Chemical Engineering, Vol.21, No.4, 829-835, July, 2004
Chromatographic Separation of Bupivacaine Racemate by Mathematical Model with Competitive Langmuir Isotherm
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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.
- Anderson DA, Tannehill JC, Pletcher RH, "Computational Fluid Mechanics and Heat Transfer," McGraw-Hill, New York (1992)
- Arney DC, Flaherty JE, ACM Trans. Math. Soft., 16(1), 48 (1990)
- Bailly M, Tondeur D, Chem. Eng. Sci., 37, 1199 (1982)
-
Barton PI, Pantelides CC, AIChE J., 40(6), 966 (1994)
- Carey F, Finlayson BA, Chem. Eng. Sci., 30, 587 (1975)
- 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)
- Choi YS, Lee JW, Koo YM, Row KH, Choi DK, Korean J. Chem. Eng., 17(6), 625 (2000)
- Finlayson BA, Chem. Eng. Sci., 26, 1081 (1971)
- "gPROMS v2.2 User Guide," Process Systems Enterprise Ltd., London (2003)
- Jarvis RB, Pantelides CC, "DASOLV - A Differential-algebraic Equation Solver," Technical report, Centre for Process Systems Engineering, Imperial College, London (1992)
- Lee JW, Row KH, Korean J. Chem. Eng., 19(6), 978 (2002)
- Medvedovici A, Sandra P, Toribio L, David F, J. Chromatogr. A, 785, 159 (1997)
- Miller K, Miller RN, SIAM J. Numer. Anal., 18, 1019 (1981)
- Oh M, "Modelling and Simulation of Combined Lumped and Distributed Processes," Ph.D. Thesis, University of London, London (1995)
- Pantakar V, "Numerical Heat Transfer and Fluid Flow," McGraw-Hill, New York (1980)
- Pilipis G, "Higher Order Moving Finite Element Methods for Systems Described by Partial Differential - algebraic Equations," Ph.D. Thesis, University of London, London (1990)
- Row KH, "Principles and Applications of Liquid Chromatography," Inha Press, Incheon (1999)
- 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)
- Schiesser WE, "The Numerical Method of Lines," Academic Press, New York (1991)
- Slater MJ, "The Principles of Ion Exchange Technology," Butterworth Heinemann, Oxford (1991)
- Strang G, Fox GJ, "An Analysis of the Finite Element Method," Prentice-Hall, New Jersey (1973)
- 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)
- Villadsen J, Mechelsen ML, "Solution of Differential Equation Models by Polynomial Approximation," Prentice-Hall, Englewood Cliffs, NJ (1978)
- Yang HY, Shin MH, Chang HK, Jang MH, Lee TH, Kim YJ, Chung JH, Kim CJ, Neurosci. Lett., 344, 33 (2003)