Mathematical Modeling and Simulation for Production of MTBE

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Chapter Two Literature Survey Figure (2.5) Configuration of the MTBE synthesis column, following Jacobs and Krishna (1993), the bottom flow is fixed at 203 mol/s Ciric and Gu (1994) present a somewhat different approach. They directly implemented the equations for capitalized and variable cost into the model equations. The resulting mixed integer nonlinear programming (MINLP) model determines the optimal configuration and operating conditions. Abufares and Douglas (1995) present a steady state and a dynamic model describing a reactive distillation. They use the ASPEN PLUS RADFRAC with a standard equilibrium stage column model that may be extended to take into account chemical reactions (Venkataraman et. al, 1990). RADFRAC is used by Jacobs and Krishna 1993, Nijhuis et al. ,1993 and Hauan et al., 1995. 18
Chapter Two Literature Survey Sneesby et al. (1997a) uses both PRO / II and ASPEN PLUS for steady state modeling of a column for production of ETBE. In their second paper ( Sneesby et al., 1997b), they present a dynamic model, which they solve with SPEED UP dynamic simulator. A somewhat different approach to the equilibrium model is presented by Perez-Cisneros et al., (1997). Their model uses so called "elements" rather than the actual components. The chemical elements are the molecule parts that remain invariant during the reaction, and the actual molecules may be formed by different combinations of elements. The benefit of this approach is that chemical and physical equilibrium problems in reactive mixture are the same as a strictly physical equilibrium model. The method however is unsuitable for extension to non equilibrium models because the real components are required for transfer rate calculations rather than the chemical elements. Non-equilibrium models belong to more recent times. The first work in this field was presented by Sawistowski et al., (1979) who modeled a packed reactive distillation column for esterification of methanol and acetic acid to methyl acetate. They used an effective diffusivity method for their mass transfer model. Fourier's law was used for heat transfer modeling. The resulting system of differential equations was solved using a Runge-kutta method. Higler, et al., 1999 developed a generic NEQ model for packed distillation column. The important features of the model are the use of Maxwell Stefan equation for description of intra phase mass transfer and incorporation of a homotopy like continuation method that allows for easy tracking of multiple steady state. Jianjum, et al., 2003 developed the dynamic rate-based and equilibrium model for packed reactive distillation column. The dynamic responses of controlled variables ( product purity and reactant conversion) to a step change in manipulated variables (reflux ratio, bottom rate, and reboiler duty) were studied 19
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Chapter Four Results and Discussion
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Chapter Five Conclusions and Recomm
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• A References Abrams, D. S. and
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APPENDIX A: Appendix A (A-1)-Sample
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A-3 Appendix A H = -143.3301 -0.336
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B-2 Appendix B TAB6LE (B-3): LATENT
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UNIFAC Method: Wilson model: C-2 Ap
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Table (C.5)UNIFAC-VLE interaction p
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Condenser Reboiler HEAT DUTY ( W) T
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Reaction rate constant (mol/h/g of
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Mathematical Modeling and Simulation for Production of MTBE

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