反应工程基础程易chpt14-fixedbedreactor-r2-206808519.ppt

* r l ?r ?l 二、显式差分格式 坐标离散： 最终得到迭代公式： 变量离散： 利用L’Hopitol法则修正轴心： 优点是可以顺序迭代，不需联立求解；缺点是收敛性差。 离散边界条件： * r l ?r ?l 三、隐式差分格式 Crank-Nicholson法（在轴向格点中间对变量离散）： 最终得到迭代公式： 优点是收敛性好；缺点是需要联立求解代数方程组。 邻二甲苯氧化制邻苯二甲酸酐 * A: o-xylene (邻二甲苯) B: phthalic anhydride (邻苯二甲酸酐) C: CO+CO2 * Design equations: Boundary conditions: * Modeling Using Femlab Start FEMLAB and select models Define constants and expressions Geometry Physics settings Boundary conditions Subdomain settings (coefficients, reaction rate, velocity) Mesh generation Computing the solution * EB: energy balance * * Energy balance If pure A enters and if ?Cp=0, then xA a b a b W xA1 xA2 xA T 平衡曲线 操作曲线 最优曲线 T1 T2 xA2 Optimum operating temperature for exothermic reversible reaction Why is there a maximum in the rate of reaction with respect to conversion (hence with respect to temperature and reactor volume) for an adiabatic reactor? Rate Law: Curve A: Reaction rate slow, conversion dictated by rate of reaction and reactor volume. As temperature increases rate increases and therefore conversion increases. Curve B: Reaction rate very rapid. Virtual equilibrium reached in reaction conversion dictated by equilibrium conversion. For fixed volume of catalyst, there is an Topt,in to give maximum X For fixed conversion, there is an Topt,in to use minimum volume of catalyst If Vcat,1Vcat,2, Topt,in,1Topt,in,2 Fixed Volume Exothermic Reactor Optimum feed temperature for exothermic reversible reaction ,in 14.3.3 Staged adiabatic packed bed reactors * Optimization of the operations of staged packed bed * T0 T1’, x1 x1,T1 x3 To get the minimum, the following conditions should be fulfilled: T2’, x2 x2,T2 优化变量 Ti为i-1级入口温度 xi为 i 级出口转化率 xA T Equilibrium T Iso-rate Optimum T T10 T20 T30 以上条件的物理含义： 第 i 级出口反应速率与第 i+1级反应速率相等 第 i 级入口温度是第 i 级出口转换率的最优温度 * Two-stage adiabatic packed bed reactors * Optimum two-stage packed bed reactor. The optimization of operations reduces to minimizing the total amount of catalyst needed to achieve a given conver