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BKF 2453 Chemical Reaction Engineering

This document contains information for a group project on reactor design, including the group members and lecturer. It discusses calculating heat capacity of species using a hyperbolic equation from Perry's Handbook. The energy balance equation for an adiabatic reactor with multiple reactions is presented. Enthalpy of reaction is calculated using integral equations and heat of formation data from a table. The differential equations coded in Polymath to solve for temperature and determine the heat effect of the plug flow reactor are described.

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Thurgah Vshiny
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107 views6 pages

BKF 2453 Chemical Reaction Engineering

This document contains information for a group project on reactor design, including the group members and lecturer. It discusses calculating heat capacity of species using a hyperbolic equation from Perry's Handbook. The energy balance equation for an adiabatic reactor with multiple reactions is presented. Enthalpy of reaction is calculated using integral equations and heat of formation data from a table. The differential equations coded in Polymath to solve for temperature and determine the heat effect of the plug flow reactor are described.

Uploaded by

Thurgah Vshiny
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© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as DOCX, PDF, TXT or read online on Scribd
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BKF 2453 CHEMICAL

REACTION ENGINEERING

Mini Project (Reactor Design)

GROUP MEMBER
NAME STUDENT ID SECTION
DARISON MICHEL DASS KA17004 02G
SITI MASYITAH BINTI MOKHTAR KA17013 02G
SITI HAJAR BINTI OMAR KA17021 02G
VINODHINI A/P JAYASEELAN KA17094 02G
NAVIN RAJ A/L GUNASEGARAN KA17225 02G

LECTURER
Ir. Dr MOHD SABRI BIN MAHMUD

UNIVERSITY OF MALAYSIA PAHANG


CORRECTION TASK 2
Heat effect of the reactor is decided from calculation of energy balance of the PBR. The heat capacity
of species in the reaction is calculated using hyperbolic equation as shown in Table 1

Table 1. Heat capacity from Perry Handbook

C1 x 10-5 C2 x 10-5 C3 x 10-3 C4 x 10-5 C5 Cp at Tmin


Oxygen 0.2910 0.1004 2.5265 0.09356 1153.8 0.2910 (50K)
Propane 0.5192 1.9245 1.6265 1.1680 723.6 0.5632 (200K)
Propylene 0.43852 1.5060 1.3988 0.74754 616.46 0.4436(130K)
Acrylic Acid 0.6059 1.3703 1.6475 1.0446 751.49 0.6984(250K)
Water 0.33363 0.26769 2.6105 0.008896 1169 0.3336(100K)
Carbon dioxide 0.2937 0.3454 1.4280 0.2640 588 0.2937(220K)

Cp
= A + BT + CT² + DT −2J/kmol/K
R
The energy balance for multiple reactions is used to decide the heat effect of the reactor. The
adiabatic (no heat transfer) condition is expressed as follows:-

dT ∑r ij ∆ H Rxj r O 21 ∆ H Rx1 +r O 22 ∆ H Rx 2+ r O 23 ∆ H Rx 3 +r C 3 H 61 ∆ H Rx 1+ r C 3 H 62 ∆ H Rx2 +r AA 2 ∆ H Rx2 +r AA 3 ∆ H R


= =
dV ∑ F i C Pi F O 2 C PO 2 + F C3 H 8 C PC 3 H 8 + F C 3 H 6 C PC3 H 6+ F AA C PAA + FCO 2 C PCO 2

dT r 1 ∆ H Rx 1+ r 2 ∆ H Rx2 +r 3 ∆ H Rx 3
=
dV F O 2 C PO 2+ F C 3 H 8 C PC 3 H 8 + FC 3 H 6 C PC 3 H 6 + F AA C PAA + F CO2 C PCO2 + F H 2 O C H 2 O
And enthalpy of reaction is calculated using the following equation:-
T
0 0
∆ H Rx =∆ H Rx + ∫ Δ C p dT where ∆ H 0Rx =∑ ν i H 0i and ΔC 0p=∑ ν i C 0pi. νi denotes stoichiometric
T ref

coefficient. Since enthalpy of reactions is determined by using integral equations and the equation of
heat capacities is complex, we have to equate separately the enthalpy using ODE Solver in Polymath
for each reaction. The coding is as follows:-

Heat capacity on differential equations

d H Rxj
 CPi H Rxj  H Rxj
o
dT where at T0,
And

H Rxj
o
  ij H 0fi

Heat of formation at standard temperature and pressure is tabulated in Table 2

Species Heat of formation,


H of
(J/mol)
Propane -104680
Oxygen 0
Propylene 20230
Acrylic Acid -355910
Carbon Dioxide -393510
Water -241814

From the ODE solver for HRx the

The equation of heat of reactions for 653 K  T  763 K is expressed as follows:-

HRx1: -1.209x105 + 20.2698 T - 0.0237459T 2+ 7.102x10−6 T 3

HRx2: -6.167x105 – 15.24491 T + 0.0501363 T 2 – 5.033x10−5 T 3 + 1.616 x 10−8 T 4

HRx3: -1.316x106 + 39.40232 T – 0.0517202T 2+1.628x10−5 T 3

From Polymath using ODE solver, the graph in Figure 2 below is obtained, the reactor is
highly endothermic. If inlet temperature is 700 K 7 107 g of catalyst is required to achieve
0.2% conversion. Thus, the heat effect of PBR can be decided to be isothermal or has
optimum temperature (not too high but not too low) for an adiabatic reactor.
Figure 2 X-T plot for the adiabatic PBR using inlet temperature of 700 K.
CORRECTION POLYMATH FOR TASK 2
#Mole Balance
d(Fo2) / d(W) = rprimeO2 #Oxygen
Fo2(0) = 3469.32 #mol/min
d(Fc3h8) / d(W) = rprimeC3H8 #Propane
Fc3h8(0) = 1156.44 #mol/min
d(Fc3h6) / d(W) = rprimeC3H6 #Propylene
Fc3h6(0) = 0 #mol/min
d(Faa) / d(W) = rprimeAA #Arcylic Acid
Faa(0) = 0 #mol/min
d(Fco2) / d(W)= rprimeCO2 #Carbon dioxide
Fco2(0) = 0 #mol/min
d(Fh2o) / d(W) = rprimeH20 #Water
Fh2o(0) = 5782.2 #mol/min

#Net Rate Law


r1=kprime1*(Cc3h8^0.95)*(Co2^0.36)*(Ch20^0.3)
r2=kprime2*(Cc3h6^0.5)*(Co2^0.27)
r3=kprime3*(Caa^0.5)*(Co2^0.25)
rprimeO2 = (-r1*0.5)-(r2*1.5)-(r3*3)
rprimeC3H8 = -r1
rprimeC3H6 = r1 - r2
rprimeAA = r2-r3
rprimeCO2 = 3*r3
rprimeH20= r1 + r2+ (2*r3)
kprime1 = 5.5e2 * exp(-10.9e4 / 8.314 / T)
kprime2 = 3.4e2 * exp(-9.02e4 / 8.314 / T)
kprime3 = 8e2* exp(-9.7e4/ 8.314 / T)
T0=673.15

# Stoichiometry
Co2=CT0*(Fo2/FT)*(T0/T)*y
Cc3h8=CT0*(Fc3h8/FT)*(T0/T)*y
Cc3h6=CT0*(Fc3h6/FT)*(T0/T)*y
Caa=CT0*(Faa/FT)*(T0/T)*y
Ch20=CT0*(Fh2o/FT)*(T0/T)*y
Cco2=CT0*(Fco2/FT)*(T0/T)*y

FT= Fo2 + Fc3h8+Fc3h6+Faa+Fco2+Fh2o

CT0=367.79
#pressure drop
d(y)/d(W) = (-alpha/(2*y)) * (FT/FT0) * (T/T0)
y(0) = 1

# Energy Balance
d(T)/d(W) =- (r1 * deltaHrx1 + r1 * deltaHrx2 + r3 * deltaHrx3) / (Fo2*Cpo2+ Fc3h8*Cpc3h8 +
Fc3h6*Cpc3h6 + Faa*Cpaa + Fco2*Cpco2 + Fh2o*Cph2o) # Energy balance for multiple reaction
#not sure numerator
T(0) = 673.15
Cph2o = (3.3363e4 + 2.679e4 * (2.6105e3 / T / sinh(2.6105e3 / T)) ^ 2 + 8.896e3 * (1169 / T /
cosh(1169 / T)) ^ 2) / 1000
Cpc3h8 = (0.5192e5 + 1.9245e5 * (1.6265e3 / T / sinh(1.6265e3 / T)) ^ 2 +1.168e5 * (723.6 / T /
cosh(723.6 / T)) ^ 2) / 1000
Cpc3h6 = (0.43852e5 + 1.506e5 * (1.3988e3 / T / sinh(1.3988e3 / T)) ^ 2 + 0.74754e5 * (616.46 / T /
cosh(616.46 / T)) ^ 2) / 1000
Cpaa = (0.6059e5 + 1.3703e5 * (1.6475e3 / T / sinh(1.6475e3 / T)) ^ 2 + 1.0446e5 * (751.49 / T /
cosh(751.49 / T)) ^ 2) / 1000
Cpco2 = (0.2937e5 + 0.3454e5 * (1.428e3 / T / sinh(1.428e3 / T)) ^ 2 + 0.264e5 * (588 / T /
cosh(588 / T)) ^ 2) / 1000
Cpo2 = (0.29103e5 + 0.1004e5 * (2.5265e3 / T / sinh(2.5265e3 / T)) ^ 2 + 0.09356e5 * (1153.8 / T /
cosh(1153.8 / T)) ^ 2) / 1000
deltaHrx1 = -1.209e5 +20.2698*T - 0.0237459*T^2 + 7.102e-6*T^3
deltaHrx2 = -6.167e5 - 15.24491*T + 0.0501363*T^2 - 5.033e-5*T^3 + 1.616e-8*T^4
deltaHrx3 = - 1.316e6 + 39.40232*T - 0.0517202*T^2 + 1.628e-5*T^3

#Analysis
S=rprimeAA/(rprimeCO2+1e-11)
Sbar = Faa/(Fco2+1e-11)
#Yo2= rprimeAA/(2*rprimeO2+1e-11)
Yc3h8 = rprimeAA/(rprimeC3H8+1e-11)
#YbarO2 = Faa /((Fo20 - Fo2+1e-11))
Ybarc3h8=Faa/(Fc3h80-Fc3h8+1e-11)
X = (Fc3h80 - Fc3h8 + 1e-11) / Fc3h80
alpha = 2e-8
Fo20 = 3469.32
Fc3h80 =1156.44
FH2O0=5782.2
FT0 = Fc3h80 + Fo20 + FH2O0
W(0) = 0
W(f) = 3e3

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