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The main objective of the design is to calculate the weight of the catalyst used in

the methanol synthesis reactor. The methanol synthesis reactor has three

reactions tacking place in itll three reactions area equilibrium reactions. The

process undertaken to design the reactor are outlined by giving the assumptions

used and the method used to design the reactor.

Assumptions

The concentration and temperature changes only in the longitudinal

direction and not in the radial direction.

Temperature in the rector is assumed to be constant because of the jacked

round it.

The reactor is assumed to be one dimensional.

Pseudo homogeneous.

=1868.85

Density of the catalyst and porosity are assumed to be ),

( =0.0393) reaspectively

Method

d F methanol

=Rmethanol which is the mole balance for methanol to obtain

dW

ordinary differential equations.

Compute the net rates of each species in the three reaction which is given

by equation 9 to equation 13, this is to be used with the mole balance

F methanol

Cmethanol =CT 0 ( )

FT

Consider the stoichiometry and compute the concentration and convert

the concentration into partial pressures using the ideal gas law (

Pi=C i RT )

The resulting differential equation are solved simultaneously using

polymath which has ode45 ode solver built in. The inlet flowrates are

given as initial conditions and the ode solves for flowrates for different

weights of the catalyst. The weight and flowrates are plotted together and

the plot is examined to find the weight of the catalyst that must be used

for the reactor. The weight that is taken is the point where the flowrate

stops changing since this is an equilibrium limited reaction. From the

weight of the catalyst bed the volume and other dimensions of the rector

are calculated.

Reactor

parame

ters

1868.8

catalyst 5

0.0393

Wcatalyst 14420

Vpacked 8.0316

bed 1764

VPBR 24.094

reactor 8529

1.9720

Dreactor 8124

7.8883

Lreactor 2497

1795.4

bulk 042

2.6294

Beddepth 4166

Figure 1: Flowrate vs Catalyst weight.

vs the weight of the catalyst.

Figure 3: Ratio of inlet pressure and outlet pressure y vs catalyst weight.

9.00E+06

8.00E+06

7.00E+06

6.00E+06

Chydrogen

(*10^-4)concentrations(mol/m^3) 4.00E+06

Cmethanol

3.00E+06 Ccarbon dioxide

2.00E+06 Cwater

Chydrogen

1.00E+06

0.00E+00

20000

0 40000

Catalyst weight(kg)

production of methanol is affected greatly by the temperature so the assumption

that the reactor temperature remains constant in the reactor may not be valid

because in general the rate at which heat is removed or added to a reactor is not

enough to allow for isothermal operation. Due to this the temperature and

concentration will vary not only in the longitudinal direction but also on the radial

direction as well. The ratio of inlet pressure ( P0 ) and outlet pressure ( P ) , y

starts with a values of unity (1) and 0.8758527 which is close to 1 which

means the effect of pressure drop is minimal and can be ignore.

Appendix C

The volume of a packed bed of a packed bed reactor can be calculated from

the mass of the catalyst weight ( M catalyst ) using equation 1 and can be

related to the volume of the reactor using equation 2, which assumes that the

catalyst occupy one third of the reactor volume, Obereti (June 2013),. The

dimensions of the reactor can then be evaluated using the volume of the

reactor. Equation 3 shows the relationship between volume and diameter of

the reactor. The length of the reactor can then be evaluated assuming a

diameter to length ( D reactor : Lreactor ) ratio of one is to 4 ( 1: 4 ) , this

relationship is given by equation 4, Obereti (June 2013). The bed depth of the

reactor is then calculated using bulk density given by equation (5) and the

diameter of the reactor, the equation for bed depth is given by equation (6)

M catalyst 1

V packed bed= ( )

catalyst 1

, Sofiane et al .(2014) (1)

1

V = V reactor (2)

3

D reactor =

3 V reactor

(3)

bulk =c ( 1 ) (5)

4 M catalyst

Bed lengh =

Dreator bulk (6)

2

The rate laws for the reactions that govern methanol synthesis are given by

equations 6 to equation 9 which were developed by Graaf,

Sofiane et al .(2014) where the fugacity term. The Soave-Redlick-Kwong

equation of state is used to estimate the compressibility factor(Z) for a gas

mixture at high temperature and it is found to be close to unity which means

the use of the ideal gas law provides a good approximation and pressures can

be used in equation 5 to equation 8 instead of fugacity, Sofiane et al .(2014) .

f methanol

(

r methanol ,1 =k 1 K CO 1 f co f 3H/2 2 2

( f 1H/2 K 1 )

2

) =R1 ,

(6)

H 2 0,2

f H 0 f co

2

(

r =k 1 K co 1 f co f H

2 2

K2

2

=R 2

) (6)

f methanol f H 0

r methanol ,3 =k 3 K co 1 f co f 3/H 2 2

=R3

3/ 2 (8)

2 2 2

(f H2 K3)

=( 1+ K co f co + K co f co f co ) f 1H/2 +

2 2 2

[ ( ) ]

2

KH

K

2

1 /2

H2

O

fH 2 0 (9)

Gallucci et al., 2004)

1) 2 90.70

5139

12.621

T

2) +41.19

2073

2.029

T

3) 2 49.51

3066

10.592

T

Table 2-Kinetic parameters used to simulate methanol reactor (Graaf et al.,

1990)

k1

mol s1 kg1

4.89 107 exp ( 113,000

RT ) catalyst

k2 /2 kg1

1

exp ( )

152,900

9.64 10 11 catalyst

RT 1

mol s

k3 1 kg1

1.09 105 exp ( 857,500

RT ) catalyst

mol s1

K CO 46,800 1

2.16 105 exp ( ) RT

KCO

exp (

61,700 1

RT )

2

6.37 107

K H O / K H 84,000 /2

1

exp (

RT )

2 2

7.05 109

reactor

RCO =R 1+ R 3 (10)

R H =2 R1R 23 R 3 (11)

2

Rmethanol=R 2+ R 3( 12)

RC O =R2R 3 (13)

2

R H 0 =R1 + R3 (14 )

2

Ordinary differential equation from mole balace which are solved sulteneously

using polymath.

Let carbon monoxide=A,hydrogen=B,methanol=C,Carbon dioxide=D and

water=C

d FA

=RCO (15)

dW

d FB

=R H (16)

dW 2

d FC

=R methanol (17)

dW

d FD

=R C O (18)

dW 2

d FE

=R H 0 (19)

dW 2

d( y) alpha FT

d (W )

= (

(2 y)

)( )

FT 0

P0

y= (20)

P

FT=FA+FB+FC+FE+FD

CA=CT0*(FA/FT)

CB=CT0*(FB/FT)

CC=CT0*(FC/FT)

CD=CT0*(FD/FT)

CE=CT0*(FE/FT)

Similar ordinary differential for concentrations are given by equations 20 to

equation are

dCA

=RCO (21)

dW

d CB

=R H (22)

dW 2

d CC

=R methanol (23)

dW

d CD

=R C O (24)

dW 2

d CE

=R H 0 (25)

dW 2

University

Sofiane,A,Jean-Marc,c,Jean-Francois,P,Laurent,F 2014,Methanol synthesis for

C O2 and H 2 in multi-tube fixed-bed reactor and multi-tube reactor filled

with monoliths, Chemical Engineering Research and Design,vol. CHERD-1530,no.

pp.5

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