PFR design.

Accounting for
pressure drop
Chemical Reaction Engineering I
Aug 2011 - Dec 2011
Dept. Chem. Engg., IIT-Madras
 Overview

• Notation
• PFR design equation (mass balance)
• Pressure drop equation

• Accounts for change in number of moles (due to reaction)

• Does not consider phase change
• Methodology, with examples

• Liquid phase reaction: Calculations are simple

• Gas phase reaction: Calculations are more involved
 Notation
• Usual notation applies.
– FA = molar flow rate of A, FT = total molar flow rate
– V = volume of reactor, Q = volumetric flow rate
– D = diameter and A = cross-sectional area of PFR, L = length of PFR, z =
distance (between 0 and L)
– T = temperature, R = universal gas constant, P = pressure, PA = partial pressure
of A
– x = conversion, e = fractional increase in number of moles for 100% conversion,
for a given feed conditions.
– k = rate constant, CA = concentration of A
– r = density, m = viscosity
– ff = friction factor, Re = Reynolds number
– <Vav> = average velocity of the fluid in the PFR. Used sparingly.
– Subscript “in” indicates inlet. E.g. FA-in is molar flow rate of A at the inlet.
 Definitions and formulas

The following definitions are of use here:

Definition of ‘x’ FA  FAin (1  x)

Definition of ‘e’ FT  FT in (1  e x)
Definition of CA FA
CA 
Q

For gas phase only:

FT RT FT in (1  e x) RT
From ideal gas law Q 
P P
FT in (1  e x) RT (1  e x) PinQin
At constant temperature Q 
P P
 Formulas
For liquid as well as gas phase
D Vav r 4Q r
Re  
m  Dm

dP 32 f f r Q 2


dz  2 D5

16
ff  if Re < 2100
Re
1
 2
if Re > 10,000
  6.9  
12.96  log10  
  Re 

You don’t need to memorize these formulas

 PFR design equation
dFA dx
• Steady state conditions  FAin  rA
dV dV

dx
• For a first order reaction FAin  kC A
dV
dx FA FAin (1  x)
FAin k k
dV Q Q

• At constant temperature
dx (1  x) k (1  x) P
k 
dV Q PinQin (1  e x)

dx A k (1  x) P

dz PinQin (1  e x)
 PFR design equation

• For any other order of reaction also, write the equation such
that dx/dz = f(x,P). i.e. The only unknowns on the RHS must
be x and P
– i.e. RHS must not have Q or CA. These are not known yet.
– But Qin and CA-in are known and hence RHS may have these terms.

dx A k (1  x) P (1  x) P
  ,
dz PinQin (1  e x) (1  e x)
Ak
where  
PinQin

• For an ‘n’th order reaction

dx FAnin1 (1  x) n P n (1  x) n P n
 kA n n 
Pin Qin 1  e x  1  e x 
n n
dz
FAnin1
where   kA n n
Pin Qin
 Pressure Drop Equation

• Under steady state conditions, Reynolds number is a constant

– Even though local velocity changes
– This is because density also changes with location
– We assume that the viscosity of the medium remains the same,
even when the reaction occurs

4Q r
• Under steady state conditions, (rQ) = constant Re 
 Dm

• Using Re, Calculate the friction factor ff.

• Write pressure drop equation
dP 32 f f r Q 2 32 f f  r Q  Q 32 f f  rinQin  Q
  
dz  2 D5  2 D5  2 D5
dP 32 f f  rinQin  Q 32 f f  rinQin  PinQin (1  e x)
  
dz  2 D5  2 D5 P
dP (1  e x)
 
dz P
32 f f  rinQin  Pin Qin
where  
 2 D5
 Solution
• Solve both equations
simultaneously dP
 
(1  e x)
dz P
32 f f  rinQin  Pin Qin
• Initial conditions: where  
 2 D5
– At z =0, P = Pin
– At z = 0, x = 0 dx FAnin1 (1  x) n P n (1  x) n P n
 kA n n 
Pin Qin 1  e x  1  e x 
n n
dz
• Special case: FAnin1
where   kA n n
– When e =0, solve the first Pin Qin
equation and find ‘P’. Then
substitute for ‘P’ in the second
equation and solve for ‘x’
 Example

• Consider a gas phase reaction under isothermal conditions.

(Isomerization)
• A B
• Pin = 10 atm, Q = 0.005 m3/s, T = 300 K, Pure A is fed, k =
0.1 lit/s, Molecular weight M = 60 g/gmol, Viscosity of the
gas = 10-5 Pa-s

• What should be the length of the PFR if it is constructed

(a) using a 2 cm pipe and the conversion desired is 10%? (b)
using a 1.5 cm pipe and the conversion desired is 10% and (c)
using a 1.5 cm pipe and the conversion desired is 20%
 Solution
• e= 0. This simplifies the equations
dP (1  e x)
 
P 2  Pin2  2 z
dP 1
dz P  
32 f f  rinQin  Pin Qin dz P
where  
 2 D5

R=0.08206 atm-lit/(gmol-K)

Pin M FAin  2.0047 mol/s

rin   24.0558 kg/m3
RT

  1.847 109 Pa2 / m

Vavin  15.9155 m / s
  6.2832 109 1/ ( Pa m)
Re  7.65 105

f  0.003
 Dia = 2 cm

• Conversion and Pressure vs distance

0.8
Conversion 0.6

0.4
d = 2 cm
0.2 e=0

0
0 10 20 30 40 50 60 70 80 90 100

5
x 10
10
Pressure / Pa

d = 2 cm
8 e=0

7
0 10 20 30 40 50 60 70 80 90 100
PFR length / m
 Dia = 2 cm, expanded

•
Conversion and Pressure vs distance
0.2
Conversion
0.15

0.1
d = 2 cm
0.05 e=0

0
0 2 4 6 8 10 12 14 16 18 20

5
x 10
10
Pressure / Pa

9.9

9.8
d = 2 cm
9.7 e=0

9.6
0 2 4 6 8 10 12 14 16 18 20
PFR length / m
 Dia = 1.5 cm

• 10% conversion is possible, but 20% is not

Conversion and Pressure vs distance

0.2
Conversion

0.15

0.1
d = 1.5 cm
0.05 e=0

0
0 10 20 30 40 50 60 70

5
x 10
10
Pressure / Pa

5
d = 1.5 cm
e=0

0
0 10 20 30 40 50 60 70
PFR length / m