Sadam firas sami

4th class group A

Solution of HW 1.2

Q.1

A+B→C

 Non-isothermal
 batch reactor
 liquid phase
 X=0.8
 maintain the reactor wall at 300 K.
 adiabatic.
 2nd order reaction from k unites.
 Rg = 8.314

Mass balance

dCA/dt = -rA  dx/dt = rA = k CA CB

CA = CA0 (1-x)

CB = CA0 (ӨB – (b/a) x )

b/a = 1

ӨB = NB0/ NA0

V0 = NA0/CA0 = 200 L

NB0 = V0 * CB0 = 200 * 0.6 = 120 mole

ӨB = NB0/ NA0 = 120/100 = 1.2

CB = CA0 (1.2 – x )

dx/dt = k CA02 (1-x) (1.2 – x )

Energy balance
As reactor is adiabatic so Q=0
𝑁̊̊ 𝑑𝑥 𝑑𝑇
Q = U*Ah*(T*-T) = -∆Hr|T0 ѵ + ∑𝑛𝑖 𝑁𝑖 ∗ 𝐶𝑝𝑖 ∗
𝑑𝑡 𝑑𝑡

Since adiabatic Q = U*Ah*(T*-T) = 0 so

𝑁̊̊ 𝑑𝑥 𝑑𝑇
0 = -∆Hr|T0 ѵ 𝑑𝑡 + ∑𝑛𝑖 𝑁𝑖 ∗ 𝐶𝑝𝑖 ∗ 𝑑𝑡

By integral from T0 to T we found

T=T0 + (-∆Hr|T0)(N̊ )(xA)/(ѵ ∑𝑛𝑖 𝑁𝑖 ∗ 𝐶𝑝𝑖)

T0 = 300ºk

∆Hr|T0 = ∑𝑛𝑖[∆𝐻𝑓 (𝑝𝑟𝑜𝑑𝑢𝑐𝑡) − ∆𝐻𝑓(𝑟𝑎𝑐𝑡𝑎𝑛𝑡)] = -15 kJ/mole = 15000 J/mole

NA0 = 100 mole

Ѵ = (1) – (1+1) = -1

∑𝑛𝑖 𝑁𝑖 ∗ 𝐶𝑝𝑖 = NA0 CpA (1-X) + NA0 CpB (ӨB - (b/a) X) + NA0 Cpc (Өc + (c/a) X)

Өc = 0

c/a = 1
−15000 ∗ 100 ∗ 𝑥
𝑇 = 300 +
−(100 ∗ 65 (1 − 𝑥) + 100 ∗ 65 (1.2 − 𝑥) + 100 ∗ 150 𝑥)
For adiabatic solve by polymath

POLYMATH Report
Ordinary Differential Equations 25-9102-‫شباط‬

Calculated values of DEQ variables

Variable Initial value Minimal value Maximal value Final value
1 ca0 0.5 0.5 0.5 0.5
2 k 0.005 0.005 0.0250586 0.0250586
3 t 0 0 329.7195 329.7195
4 T 300. 300. 375.4717 375.4717
5 x 0 0 0.8 0.8

Differential equations
1 d(t)/d(x) = 1/(k*ca0*(1-x)*(1.2-x))

Explicit equations
1 T = 300+(15000*x/(143+20*x))
2 ca0 = 0.5
3 k = 0.005*exp((20000/8.314)*((1/300)-(1/T)))
Now for heat exchange (non-adiabatic ,Non-isothermal) system
Energy balance
𝑁̊̊ 𝑑𝑥 𝑑𝑇
Q = UAh*(T*-T) = -∆Hr|T0 + ∑𝑛𝑖 𝑁𝑖 ∗ 𝐶𝑝𝑖 ∗
ѵ 𝑑𝑡 𝑑𝑡

UAh = 50 wat/K

T* = 300 k

By integrate we find
𝑑𝑇 𝑈𝐴 ∗ (300 − 𝑇) + ∆𝐻𝑟 ∗ 𝑟𝐴 ∗ 𝑉
=
𝑑𝑡 ∑𝑛𝑖 𝑁𝑖 ∗ 𝐶𝑝𝑖

V = V0 = 200 L ( since liq. phase)

𝑑𝑇 50 ∗ (300 − 𝑇) + 15000 ∗ 𝑟𝐴 ∗ 200
=
𝑑𝑡 (100 ∗ 65 (1 − 𝑥) + 100 ∗ 65 (1.2 − 𝑥) + 100 ∗ 150 𝑥)
The same mass balance

Now go to polymath to find the time by try and error by assume time until reach 0.8
conversion
POLYMATH Report No Title
Ordinary Differential Equations 25-9102-‫شباط‬

Calculated values of DEQ variables

Variable Initial value Minimal value Maximal value Final value
1 ca0 0.5 0.5 0.5 0.5
2 k 0.005 0.005 0.0130557 0.0107273
3 Q 0 -2039.541 0 -1578.209
4 ra -0.0015 -0.0016093 -0.0002142 -0.0002142
5 t 0 0 463. 463.
6 T 300. 300. 340.7908 331.5642
7 x 0 0 0.8002341 0.8002341

Differential equations
1 d(x)/d(t) = (k*ca0*(1-x)*(1.2-x))
2 d(T)/d(t) = (50*(300-T)+(-15000*ra*200))/(100*65*(1-x)+100*65*(1.2-x)+100*150*x)

Explicit equations
1 ca0 = 0.5
2 k = 0.005*exp((20000/8.314)*((1/300)-(1/T)))
3 ra = -k*(ca0^2)*(1-x)*(1.2-x)
4 Q = 50*(300-T)
Amount of energy removed from the reactor when it operated nonisothermally

Q = 1578.209 J

Solve by matlab
function diffeqs=ode_sys(t,var)
T=var(1);
x=var(2);

Ta=300;
UA=50;
V=200;
dHrxn=-15000;
E=20000;
A=0.005;
CpA=65;
CpB=65;
CpC=150;
nA0=100;
cA0=0.5;
cB0=0.6;
R=8.314;

diffeqs(1,1)=(UA*(Ta-T)-dHrxn*A*(cA0^2)*(1-x)*(1.2-
x)*V*exp((E/R)*((1/Ta)-(1/T))))/(nA0*((CpA*(1-x))+(CpB*(1.2-
x))+(CpC*x)));

diffeqs(2,1)=A*exp((E/R)*((1/Ta)-(1/T)))*cA0*(1-x)*(1.2-x);

end

range=[0:463];
ICs=[300,0];
[tsol,varsol]=ode45(@ode_sys,range,ICs);

plot(tsol,varsol(:,1));
Q.2

 acid catalyzed irreversible reaction

 2nd order reaction in A
 liquid phase
 A  B
 Adiabatically
 CSTR reactor
 equal molar in water in water
 Tin = 52ºC = 325ºK
 ѵ̊ = 10 dm3/min
 CA0 = 4 mole/dm3
A. Conversion x = 0.8
B. V = 1000 dm3 CSTR

A)
 Mass balance
V = FA0* X|exit / -rA |exit

-rA = k * CA2

CA = CA0 (1-x)

FA0 = CA0 * ѵ̊ = 4mole * 10 = 40 mole / min

Energy balance
For adiabatic system
∑ Ө𝑖∗𝐶𝑝𝑖∗(𝑇−𝑇º)
X Energy Balance = (−∆𝐻𝑟)+ ∆𝐶𝑝𝑖∗(𝑇−𝑇𝑟)

𝑋(−∆𝐻𝑟)+ ∑ Ө𝑖∗𝐶𝑝𝑖∗𝑇º+𝑥∗∆𝐶𝑝𝑖∗𝑇𝑟
T= ∑ Ө𝑖∗𝐶𝑝𝑖+𝑥 ∆𝐶𝑝𝑖

∆CPi = Cp product – Cp reactant = 15 – 15 = 0

1 1
∑Ө𝑖 ∗ 𝐶𝑝𝑖 = (1) 15 + (1) 18 + 0 ∗ 15 = 33 *** equal molar

𝑋(−∆𝐻𝑟) 𝑋(−∆𝐻𝑟) 0.8∗(−(−3000))

T = 𝑇º + ∑ = 273 + 52 + ∑ Ө𝑖∗𝐶𝑝𝑖
= 325 +
Ө𝑖∗𝐶𝑝𝑖 33

Tfinal = 397.727272 ºK

So the K equation become

15000 1 1
[ ( − )]
k = k(25ºC) ∗ 𝑒 1.987 298 𝑇 𝑓𝑖𝑛𝑎𝑙

we use T in ºK because unite of R in cal/mol*ºK

15000 1 1
[ ( − )]
k = 0.0005 ∗ 𝑒 1.987 298 397.7272

k397.727272 ºK = 0.28679932 L/(mole*min)

-rA |exit = k397.727272 ºK (CA0 (1-x) )2

= 0.28679932 * ( 4 ( 1-0.8))2

-rA |exit = 0.1835515 mole / min

V = FA0* X|exit / -rA |exit = (40*0.8)/ 0.1835515 = 174.337 dm3

B)
V = FA0* X|exit / -rA |exit

1000= 40* X|exit / k|final (4 (1-x|exit) )2

15000 1 1
[ ( − )]
K (final) = 0.0005 ∗ 𝑒 1.987 298 𝑇𝑓𝑖𝑛𝑎𝑙

15000 1 1
[ ( − )]
400 = X|exit / (0.0005 ∗ 𝑒 1.987 298 𝑇𝑓𝑖𝑛𝑎𝑙
* (1-x|exit)2)
𝑋 |𝑒𝑥𝑖𝑡∗(−(−3000))
T = 325 + 33
 15000 1 1
[ ( − )]
1.987 298 325+ 𝑋 |𝑒𝑥𝑖𝑡∗(−(−3000))
400 = X|exit / (0.0005 ∗ 𝑒 33 * (1-x|exit)2)

Solve by try and error by assume X untel L.H.S = 400

Assume x L.H.S
0.8 69.7
0.9 205.33
0.95 706,24
0.98 4035
0.97 1847.6
0.96 1070.9
0.955 858.9
0.94 505.412
0.93 382.68
0.935 437.18
0.9325 408.4628
0.93175 400.4

So the final conversion is 0.93175

𝑋 |𝑒𝑥𝑖𝑡∗(−(−3000)) 0.93175∗3000
Tfinal = 325 + 33
= 325 + 33
= 409.7 ºK