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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 it’ll 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

** Plug flow is assumed.
**

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.

ρ=1868.85

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

(α =0.0393) reaspectively

Alpha for pressure drop is assumed to be 0.0001

Method

** Perform a mole balance of all species reacting in the rector e.g.
**

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

From the weight of the catalyst bed the volume and other dimensions of the rector are calculated.9720 Dreactor 8124 7. stops changing since this is an equilibrium limited reaction.6294 Beddepth 4166 .4 ρbulk 042 2.094 reactor 8529 1.8 ρcatalyst 5 α 0.8883 Lreactor 2497 1795.0316 bed 1764 VPBR 24.0393 Wcatalyst 14420 Vpacked 8. Results and Discussion Sammary of parameters of methanol synthesis reactor Reactor parame ters 1868.

Figure 2: Summary of flowrates of reacting species in the methanol reactor vs the weight of the catalyst. .Figure 1: Flowrate vs Catalyst weight.

00E+06 8.00E+06 Ccarbon moxide Chydrogen (*10^-4)concentrations(mol/m^3) 4. Figure 3: Ratio of inlet pressure and outlet pressure y vs catalyst weight. 9. The ratio of inlet pressure ( P0 ) and outlet pressure ( P ) .00E+00 20000 0 40000 Catalyst weight(kg) Figure 4: concentration vs catalyst weight.00E+06 Cwater Chydrogen 1.00E+06 5. y .00E+06 0.00E+06 7.00E+06 Ccarbon dioxide 2. Due to this the temperature and concentration will vary not only in the longitudinal direction but also on the radial direction as well.00E+06 Cmethanol 3.00E+06 6. Methanol synthesis is governed by reactions which are equilibrium limited so the 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.

8758527 which is close to 1 which means the effect of pressure drop is minimal and can be ignore.starts with a values of unity (1) and 0. 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 ) . Obereti (June 2013). Equation 3 shows the relationship between volume and diameter of the reactor. which assumes that the catalyst occupy one third of the reactor volume. this relationship is given by equation 4. 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. Obereti (June 2013)..(2014) (1) 1 V = ∗V reactor (2) 3 D reactor = √ 3 V reactor π (3) Lreactor=4 Dreactor (4) ρbulk =ρc ( 1−α ) (5) 4 M catalyst Bed lengh = π Dreator ρbulk (6) 2 . The dimensions of the reactor can then be evaluated using the volume of the reactor. 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= ( ) ρ catalyst 1−α . Sofiane et al .

. 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.70 ¿ 5139 −12. Gallucci et al.2 f H 0 f co 2 ( r ¿ ¿=k 1 K co Γ−1 f co f H − 2 2 K2 2 =R 2 ) (6) f methanol f H 0 r methanol .The rate laws for the reactions that govern methanol synthesis are given by equations 6 to equation 9 which were developed by Graaf.(2014) where the fugacity term.51 ¿ 3066 −10. (6) H 2 0. 1986.621 ¿ T 2) −¿ +41.19 −2073 −2.3 =k 3 K co Γ −1 f co f 3/H 2− 2 =R3 3/ 2 (8) 2 2 2 (f H2 K3) Γ=( 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) Table 1-Equilibrium constants and heats of reaction (Graaf et al.1 =k 1 K CO Γ −1 f co f 3H/2 − 2 2 ( f 1H/2 K 1 ) 2 ) =R1 . Sofiane et al .029 ¿ T 3) ¿¯−2 −49. f methanol ( r methanol .(2014) .592¿ T . 2004) Reaction log 10 ( k i ) ΔΗ r 298 K ( kj mol−1 ) 1) ¿¯−2 −90.. Sofiane et al .

89 ×107 exp ( −113.900 9. 1990) Parameters Expression units k1 ¯ mol s−1 kg−1 4..800 ¿¯−1 2.000 ¯ /2 ¿−1 exp ( RT ) 2 2 7.37 ×10−7 ¿ K H O /√ K H 84. Table 2-Kinetic parameters used to simulate methanol reactor (Graaf et al.500 RT ) catalyst mol s−1 ¿ K CO 46.700 ¿¯−1 RT ) 2 6.64 ×10 11 catalyst RT −1 mol s ¿ k3 ¿¯−1 kg−1 1.000 RT ) catalyst k2 ¯ /2 kg−1 ¿−1 exp ( ) −152.05× 10−9 ¿ Defining rate of reaction of all components reacting in the methanol synthesis reactor RCO =−R 1+ R 3 (10) R H =−2 R1−R 2−3 R 3 (11) 2 Rmethanol=R 2+ R 3( 12) RC O =−R2−R 3 (13) 2 R H 0 =−R1 + R3 (14 ) 2 .16 ×10−5 exp ( ) RT ¿ KCO exp ( 61.09× 105 exp ( −857.

hydrogen=B.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 The flowrates are related to the concentration as follows 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 .methanol=C. Let carbon monoxide=A.Ordinary differential equation from mole balace which are solved sulteneously using polymath.

Methanol Synthesis.’Methanol synthesis for C O2 and H 2 in multi-tube fixed-bed reactor and multi-tube reactor filled with monoliths’.P.F 2014. 2012.Jean-Francois. pp.c.A.vol.no.Kinetic Modelling and Reactor Design. Aston University Sofiane. d CC =R methanol (23) dW d CD =R C O (24) dW 2 d CE =R H 0 (25) dW 2 Obereti.5 . CHERD-1530. Chemical Engineering Research and Design.Jean-Marc.Laurent.

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