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Reactor Calculations

Content

! The continuous-flow, stirred tank reactor, CSTR ! ! ! ! Properties Mass balance equation The residence time Reactor calculations ! Methodology ! Example: 1st order irreversible reaction ! Sequential solution ! Simultanuous solution ! Conversion ! Remarks

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

! The CSTR: ! Large scale chemical processes ! Water treatement reactors ! Lakes ! Open with respect to matter and/or energy ! Perfectly mixed: ! No gradients with respect to concentration or temperature ! There is no travel time from the inlet point to any other point in the reactor

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

! General, in molar quantities:

Input + Prod Fin + Fprod = Output + Acc dN = Fout + dt

Qin cin V r c

Fin Fout N Fprod

Qin cin + rV d(cV ) = Qout c + dt

Qout c

! Steady-state

Qcin + rV = Qc

Q cin V r c

Q c

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

! Since the content of the reactor is continuously renewed, we can define a mean residence time as:

V = Q m3 =s m3 /s

Qcin + rV cin + r = Qc = c cin

r c

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

1.! Determine the flow and mixing conditions in terms of an ideal reactor model, and define the mass balance(s) 2.! Define the kinetic equation(s) and the kinetic coefficient(s) 3.! Combine the appropriate number of mass balances (for the reactor model) with the kinetic equations to form the design equation 4.! Perform the calculation, analytically or numerically

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

! Calculate the concentrations of A and B in the output flow of a steadystate CSTR with the reaction:

A B r = kcA

! System properties: ! Input flow concentration of A: 3 mole/m3 ! Input flow concentration of B: 0.2 mole/m3 ! Volumetric input flow rate: 1.25 m3/min ! Volumetric output flow rate: 1.25 m3/min ! Reactor volume: 5 m3 ! Kinetic rate coefficient: 0.5 1/min

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Example

1.! Flow and mixing conditions ! Reactor model: Steady-state CSTR

Q cin,A cin,B Q V cA r c B cA cB

! To mass balances needed are: ! To calculate cA : Mass balance equation for A ! To calculate cB : Mass balance equation for A and B ! Mass balance equations: Qcin,A + rA V = QcA

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Qcin,B + rB V = QcB

Example

2.! Kinetic equation ! 1st order with respect to cA :

Q cin,A cin,B r = kcA rA = kcA rB = kcA Q V cA r c B cA cB

3.! Combine mass balances with kinetic equations to the design equations: Qcin,A kcA V = QcA

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Example

4.! Calculations

Q cin,A cin,B Q V cA r c B cA cB

Two strategies ! Sequential calculation: Solve for cA , then for cB ! Simultanuous calculation for cA and cB The seqential strategy works for A since the kinetic expression for the formation of A only includes cA

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Example

! Sequential solution, start with cA :

Qcin,A kcA V Qcin,A cin,A cA = QcA = (Q + kV )cA 1 1 + k = (1 + k )cA = cin,A = 2

cA

And, since cB

cB

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Example

! Simultaneous solution: Qcin,A kcA V = QcA

Qcin,B + kcA V (1 + k )cA k cA + cB

= QcB

= cin,A = cin,B

1 + k 0 k 1 cA c = in,A cB cin,B

X =A1 Y

cA 0.6667 = cB 1.5333

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Conversion

! The conversion, X with respect to a reactant component is:

X= Fin Fout Qin cin Qout cout = Fin Qin cin

! For a steady-state reactor where Qin = Qout : cin cout cout X= =1 cin cin

cin 1+1 cout k X =1 =1 cin cin X= k 1 + k

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Remarks

! The mass balance is defined for the whole reactor volume ! The concentration in the output stream is the same as the concentration in the reactor ! Since the fact that the reactor operates with the output concentration of reactans means the kinetic driving force is constant: rA = kcA ! Real life advantages: ! Long residence times in relation to reaction rate makes the reactor stable ! Heat may be added/removed through the reactor walls

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Content

! The continuous-flow, stirred tank reactor, CSTR ! ! ! ! Properties Mass balance equation The residence time Reactor calculations ! Methodology ! Example: 1st order irreversible reaction ! Sequential solution ! Simultanuous solution ! Conversion ! Remarks

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

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