Mathematical Modeling and Simulation for Production of MTBE

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Chapter Two Literature Survey behavior in the calculation of reaction rates and chemical equilibrium coefficient, in addition to physical properties such as surface tension, diffusion coefficient, viscosities, etc. for calculation of mass (and heat) transfer coefficient and interfacial area. Table (2.2) shows the properties that needed for EQ and NEQ in a models Ibrahim, S.S.,2007. Table (2.2) the needed properties for EQ and NEQ models Non-Equilibrium Model 26 Equilibrium Model Activity Coefficients Activity Coefficients Vapor Pressures Vapor Pressures Fugacity Coefficients Fugacity Coefficients Densities Densities Enthalpies Enthalpies Diffusivities Viscosities Surface Tension Thermal Conductivities Mass-Transfer Coefficients Heat-Transfer Coefficients 2. Solving the rate-based model is always much more difficult than solving the equilibrium model for all of the simulations. The EQ model can be solved first, and the results can be used as the initial guess for the rate-based model. 3. The drawback of EQ model is the evaluation of the efficiencies for the plate or HETP for the packing column in the case of multi component reactive mixture. Pouzineau, et al. compare between the two models by studying
Chapter Two Literature Survey Acetic anhydride reaction with water to obtain two moles of Acetic Acid, the prediction of EQ model was equivalent to the NEQ model. Baur et al., 2000 developed a generic NEQ cell model for RD tray columns of production of ethylene glycol, they concluded that the dynamic EQ model, widely used in the literature, shows much less sensitivity to disturbance, that is important in case of studying control concept , but studying of effect of various parameters, gives in many cases nearly the same results Jianjun, 2004 et al. compare between a steady-state equilibrium and rate- based models for packed reactive distillation columns for the production of tertiary amyl methyl ether (TAME) and methyl acetate. They concluded that the number of equations in the rate-based model is 5-7 times the number of equations in the equilibrium model if the number of segments in the rate-based model is the same as the number of theoretical stages in the equilibrium model. For example at same number of segments. For methyl acetate no. of equation for EQ is 407 while for NEQ is 1899, and For TAME no. of equation for EQ was 600 while for NEQ was 4430. An optimal reflux ratio and an optimal operating pressure were found for both the TAME system and the methyl acetate system. The optimal values predicted by the equilibrium model and the rate-based model are very close. Also the mole fraction profile for the two cases in Figure (2.8) 27
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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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C Carra, S .,E. Santacesaria,M. Mor
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F Fien, G. and Liu, Y.A. “Heurist
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Kooijman H. and Taylor R. The ChemS
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T Taylor R., Amanda Miller, and Ang
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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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Table (E-2) the first assumption of
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Mathematical Modeling and Simulation for Production of MTBE

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