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Tarea3 A01368290
Tarea3 A01368290
Reaction
Elementary
k1
1A B−r 1 A=k 1CA
→
k2
2B C−r 2 A=k 2 CB
→
Rate laws
−r 1 A=k 1 CA
−r 2 A=k 2 CB
Net rate laws
r1 A r 1B
= −r 1 A=r 1 B=k 1CA
−1 1
r 2B r2C
= −r 2 B=r 2 C=k 2 CB
−1 1
Design / Mole
(a) Plot and analyze the concentrations of species A, B, and C as a function of time.
(b) Calculate the time to quench the reaction when the concentration of B will be a maximum.
𝐶𝐵 𝑚𝑎x = 1.0863 𝑀
(c) What are the overall selectivity and yields at this quench time?
Data
VCTR=1 dm3
Ca 0=1 dm3
FaO=1 dm 3
Reaction
k1
A D
→
k2
D U
→
Rate laws
CA=CA 0(1− X)
Ca 0=Ca 0−Ca 0 X
( Ca0−CA )
x=
Ca 0
−r 1 A=k 1 CA
−r 2 A=k 2 CB
Mole Balance
Fa 0−Fa
V=
−ra
Rate Law
−rA=k 1 Ca
Concentration
Rate Law
rD=r 1 D+r 2 D
rD=k 1CA−k 1 CD
Concentration
Rate Law
Ca 0−Ca
X=
Ca0
X=
Ca 0− ( 1+tk
Ca 0
1)
Ca 0
tK 1
X=
1+tK 1
Selectivity
tk 1 Ca0 t 2k 1 k 2 Ca0
S D/U=( )/(( ))
( 1+tk 2 )( 1+tk 1 ) ( 1+tk 2 ) ( 1+ tk 1 )
D 1
S =
U tk 2
Yield
CD
Y D=
Ca0−CA
tK 1 Ca0
( 1+tk 2 )( 1+tk 1 )
Y D=
Cao
Ca 0−( )
1+tk 1
1
Y D=
1+tk 2
t=1.0 min
S D/ U=1/2
X =0.5
tk 1
X=
1+tk 1
( 1.0 ) k 1
0.5=
1+ ( 1.0 ) k 1
k 1=1.0 min−1
D 1
S =
U tk 2
1 1
=
2 ( 1.0 ) k 2
k 2=2min−1
Computational
SOLUTION
Data
V =500 dm3
Ca 0=1.6 mol /dm 3
B desired
Elementary – Irreversible
rA=−k 1CA
rB=k 1 CA−k 2 CB
rC=k 2 CC
Mole Balance
−rA=K 1 Ca
−dCa
=−rA
dt
−dCa
=−k 1 CA
dt
Ca
=e−k 1T
Ca0
Mole Balance
−rB= ( −dCB
dt )
−dCB
=k 2 CB−K 1CA
dt
dCB
+ K 2 CB=k 1 CA
dt
CB k1 −k1 T −k 2 T
= (e −e )
Ca0 k 2−k 1
Mole Balance
CC
Ca0
=1− ( )( )
CA
CA 0
−
CB
CA 0
=1+( ) −(
k 2−k 1 )
CC k1 −k2 T 21 −k 2T
e e
CA 0 k 2−k 1
Time
t=0
CB=0
CB=
k 1CA 0
( k1
k 2−k 1 k 2−k 1 )
e−k 2T − ( 21
k 2−k 1 )
e−k 2 T
Time max
dCB
dt
=0= (
k 1CA 0
k 2−k 1
∈)( )
k2
k1
∈( )
1 k2
timemax=
k 2−k 1 k 1
∈(
0.4 )
1 0.01
timemax=
0.01−0.4
timemax=9.45 hr
Selectivity
Cb =Ca
K1/K2 = Ca/CB = 0
S=1
Yield
Y = rb/ra = k1CA-K2CB/K1CA
Y = 1 – k2/1 cb/ca
Cb=cA
Y = 1-k2/k1
Y = 0.975