The document discusses isothermal reactor design and operation including algorithm development, pressure drop equations, and semi-batch reactors. Pressure drop is important for calculating reaction rates. The Ergun equation describes pressure drop for packed beds and has special cases for low voidage and first order reactions.
The document discusses isothermal reactor design and operation including algorithm development, pressure drop equations, and semi-batch reactors. Pressure drop is important for calculating reaction rates. The Ergun equation describes pressure drop for packed beds and has special cases for low voidage and first order reactions.
The document discusses isothermal reactor design and operation including algorithm development, pressure drop equations, and semi-batch reactors. Pressure drop is important for calculating reaction rates. The Ergun equation describes pressure drop for packed beds and has special cases for low voidage and first order reactions.
The document discusses isothermal reactor design and operation including algorithm development, pressure drop equations, and semi-batch reactors. Pressure drop is important for calculating reaction rates. The Ergun equation describes pressure drop for packed beds and has special cases for low voidage and first order reactions.
• Algorithm PBR with pressure drop • Design equations • Why do we need pressure drop equation • Ergun’s equation - special case - εX<<1 - general case
Unsteady state operation
• Semi-batch reactor
Algorithm for isothermal
reactor design Application of the algorithm for a CSTR A→ B+C Constant temperature and pressure
F A0 X V = Mole balance (− rA ) Rate law: rA = −kC A
FA CA = ; FA = FA0 (1 − X ); v = v0 (1 + εX ) v Stoichometry F (1 − X ) 1− X CA = A0 = CA 0 v0 (1 + εX ) 1 + εX
Application of the algortithm (cont.)
⎛ 1− X ⎞ −rA = kC A0 ⎜ ⎟ ⎝ 1 + εX ⎠ Combine FA0 X FA 0 X ⎛ 1+ ε X ⎞ V= = ⎜ ⎟ (−rA ) kC A 0 ⎝ 1 − X ⎠
ε = y A 0δ = yA 0 (1 + 1− 1) = yA 0 y A0 P Evaluate CA 0 = RT
Calculate V from given X or solve X from given V
Isothermal PBR with pressure drop, design equations Reaction rate is usually related to the weight of the packed bed. Compare reactors for homogeneous reactions where reaction rate is related to the volume.
Rate for homogeneous reaction : rA ( )
mol m3 s
Rate for gas - solid reaction : rA′ ( (kgmol
cat) s )
dX Design equation for PBR : FA 0 = − rA′ dW
Why do we need the pressure
drop equation?
X, P/P0 P/P0
z=0 z=L
rA′ = rA′ (C A ( X , P, T ), C B ( X , P, T ),..., T )
We need the pressure for calculating the reaction rate Pressure drop equation (Nomenclature) ⎛ kg ⎞ G = superficial velocity, ⎜ 2 ⎟ ⎝ m ⋅ s⎠ D p = catalyst particle diameter, (m ) volume of void φ = porosity = total bed volume ⎛ N⋅ s kg ⎞ μ = fluid viscosity, ⎜ = ⎟ ⎝ m2 m ⋅ s⎠ ⎛ kg ⎞ ρ = fluid density, ⎜ ⎟ ⎝ m3 ⎠
z = catalyst length, (m)
Ergun equation
Variable gas density
Ergun equation (cont.)
Catalyst weight (kg)
where
Ergun equation (cont.)
From stoichiometry Ergun equation, special case ε <<1 Isothermal conditions
dP α P0 2 α 2 =− ⇒ PdP = − P0 dW dW 2 P 2 i.e. separable differential equation that can be solved analytically
P = (1 − αW )2 1
P0
Ergun equation, special case, (cont.)
Example: First order irreversible reaction dX FA0 = −rA′ Design equation: dW Rate law: − rA′ = kC A P Stoichiometry: C A = C A0 (1 − X ) P0 P = (1 − αW )2 1
− rA′ = kC A CB 1 2 3 3 mol (kg cat) s Given : CA 0 , FA 0 , k, P0 , α ;
Given : C A0 , FA0 , k, P0 , α;
dX 1 2 Design equation : FA0 = kC A CB 3 3
dW Ergun equation, general case, example (cont.) Stoichiome try (by means of stoichiome tric table) : 1− X P C A = C A0 1 + ε X P0 b ΘB − X a P C B = C A0 1 + ε X P0 ⎛c b ⎞ ε = y A 0δ = y A 0 ⎜ − − 1⎟ ⎝a a ⎠ dP α P0 2 Pressure drop eqn : =− (1 + εX ) dW 2 P
Ergun equation, general case,
example (cont.) Combine : ⎫ 2
⎛ b ⎞ (1 − X ) ⎜ Θ B − X ⎟ ⎪ 3 1 3
dX kC A0 ⎝ a ⎠ P⎪ W =0⎫ = ⎪ ⎪ dW FA0 1 + εX P0 ⎬ X =0⎬ dP α P0 2 ⎪ P = P0 ⎪⎭ =− (1 + εX ) ⎪ dW 2 P ⎪⎭
This is a system of Ordinary Differential Equations (ODEs).
It is an initial value problem – initial conditions are given to the right of the equations. Unsteady-state operation When does unsteady-state operation occur? - Startup - Changing operational conditions - Disturbances - Batch and semi-batch operation
Why use semi-batch operation?
Semi-batch reactor example (cont.)
Stoichiometry and concentrations NA N CA = ; CB = B V V Combine N N −rA = kC ACB = k A 2 B V dN A N N NA NB ⎫ = −k A B = −k ⎪ ⎫ dt V (V0 + v 0 t ) ⎪ t=0 ⎪ ⎬ N A = N A0 ⎬ dN B NA NB ⎪ ⎪ = −k + FB 0 ⎪ dt (V0 + v0t ) ⎭ NB = 0 ⎪⎭
