11-4

a)

Calculated values of DEQ variables

Variable Initial value Minimal value Maximal value Final value
1

50.

50.

0.9709167

0.9709167

450.

450.

935.4583

935.4583

0.12

0.12

15.40288

15.40288

Ca0

0.271

0.271

0.271

0.271

Ca

0.271

0.0019237

0.271

0.0019237

ra

-0.03252

-0.2057651

-0.0296303

-0.0296303

Fa0

5.42

5.42

5.42

5.42

deltaH

-2.0E+04

-2.0E+04

-2.0E+04

-2.0E+04

10 Cpa

40.

40.

40.

40.

11 rate

0.03252

0.0296303

0.2057651

0.0296303

Differential equations
1 d(X)/d(W) = -ra / Fa0
Explicit equations
1 T = 450 + 500 * X
2 k = .12 * exp(4209.766 * ((1 / 450) - (1 / T)))
3 Ca0 = 0.271
4 Ca = Ca0 * (1 - X) * (450 / T) / (1 + X)
5 ra = -k * Ca
6 Fa0 = 5.42
7 deltaH = -20000
8 Cpa = 40

1.2

1040

940

0.8

840
Temp

9 rate = -ra

0.6

740

0.4

640

0.2

540

440
0

10

20

30
W

40

50

10

20

30
W

40

50

 e) =0.019 P0 = 1 atm

=0.019 P0 = 5 atm

Calculated values of DEQ variables

Calculated values of DEQ variables

Initial
Variable
value

Minimal
value

Maximal
value

Final
value

Variable

Initial
value

Minimal
value

Maximal
value

Final
value

50.

50.

0.9709157

0.9709157

50.

50.

0.9709157

0.9709157

10.

9.894568

10.

450.

450.

935.4578

9.894568

10.

6.896513

10.

6.896513

935.4578

450.

450.

935.4578

935.4578

0.12

0.12

Ca0

0.271

0.271

15.40274

15.40274

0.12

0.12

15.40274

15.40274

0.271

0.271

Ca0

0.271

0.271

0.271

0.271

Ca

0.271

0.0019238

0.271

0.0019238

Ca

0.271

0.0019238

0.271

0.0019238

ra

Fa0

-0.03252

-0.2057621

-0.029631

-0.029631

ra

-0.03252

-0.2057621

-0.029631

-0.029631

5.42

5.42

5.42

5.42

Fa0

5.42

5.42

5.42

5.42

10 deltaH

-2.0E+04

-2.0E+04

-2.0E+04

-2.0E+04

10 deltaH

-2.0E+04

-2.0E+04

-2.0E+04

-2.0E+04

11 Cpa

40.

40.

40.

40.

11 Cpa

40.

40.

40.

40.

12 rate

0.03252

0.029631

0.2057621

0.029631

12 rate

0.03252

0.029631

0.2057621

0.029631

13 P0

1.

1.

1.

1.

13 P0

5.

5.

5.

5.

14 alpha

0.019

0.019

0.019

0.019

14 alpha

0.019

0.019

0.019

0.019

Differential equations
Differential equations
1 d(X)/d(W) = -ra / Fa0

1 d(X)/d(W) = -ra / Fa0

2 d(P)/d(W) = -(alpha / 2) * (T / 450) * P0 / (P / P0) * (1 + X)

2 d(P)/d(W) = -(alpha / 2) * (T / 450) * P0 / (P / P0) * (1 + X)

Explicit equations
1

T = 450 + 500 * X

k = .12 * exp(4209.76 * ((1 / 450) - (1 / T)))

Ca0 = 0.271

Ca = Ca0 * (1 - X) * (450 / T) / (1 + X)

ra = -k * Ca

Fa0 = 5.42

deltaH = -20000

Cpa = 40

rate = -ra

10 P0 = 1
11 alpha = 0.019

Explicit equations
1

T = 450 + 500 * X

k = .12 * exp(4209.76 * ((1 / 450) - (1 / T)))

Ca0 = 0.271

Ca = Ca0 * (1 - X) * (450 / T) / (1 + X)

ra = -k * Ca

Fa0 = 5.42

deltaH = -20000

Cpa = 40

rate = -ra

10 P0 = 5
11 alpha = 0.019

=0.019 P0=1atm

0.9

0.9

0.8

0.8

0.7

0.7

0.6

0.6

0.5

0.5

0.4

0.4

0.3

0.3

0.2

0.2

0.1

0.1

=0.019 P0=5atm

0
0

10

20

30

40

50

10

20

10.5

50

=0.019 P0=5atm

10

9.5

9.5

9
Pressure

Pressure

10.5

8.5
8

8.5
8

7.5

7.5

6.5

6.5

6
0

20

40

60

20

1040

1040

=0.019 P0=1atm

940

940

840

840

740

640

540

540

440

440
20

40
W

60

60

=0.019 P0=5atm

740

640

40
W

Temp

Temp

40

=0.019 P0=1atm

10

30

20

40
W

60

 e) =0.0075 P0 = 1 atm

=0.0075 P0 = 5 atm

Calculated values of DEQ variables

Calculated values of DEQ variables

Initial
Variable
value

Minimal
value

Maximal
value

Final
value

Variable

Initial
value

Minimal
value

Maximal
value

Final
value

50.

50.

50.

50.

0.9709157 0.9709157

0.9709157 0.9709157

10.

9.958515

10.

9.958515

10.

8.905097

10.

8.905097

450.

450.

935.4578

935.4578

450.

450.

935.4578

935.4578

0.12

0.12

15.40274

15.40274

0.12

0.12

15.40274

15.40274

Ca0

0.271

0.271

0.271

0.271

Ca0

0.271

0.271

0.271

0.271

Ca

0.271

0.0019238 0.271

0.0019238

Ca

0.271

0.0019238 0.271

ra

-0.029631 -0.029631
0.03252 0.2057621

ra

-0.029631 -0.029631
0.03252 0.2057621

Fa0

5.42

Fa0

5.42

5.42

5.42

5.42

5.42

0.0019238

5.42

5.42

10 deltaH

-2.0E+04
2.0E+04

-2.0E+04

-2.0E+04

10 deltaH

-2.0E+04
2.0E+04

-2.0E+04

-2.0E+04

11 Cpa

40.

40.

40.

11 Cpa

40.

40.

40.

12 rate

0.03252 0.029631

0.2057621 0.029631

12 rate

0.03252 0.029631

0.2057621 0.029631

13 P0

1.

1.

1.

1.

13 P0

5.

5.

5.

5.

14 alpha

0.0075

0.0075

0.0075

0.0075

14 alpha

0.0075

0.0075

0.0075

0.0075

40.

40.

Differential equations

Differential equations

1 d(X)/d(W) = -ra / Fa0

1 d(X)/d(W) = -ra / Fa0

d(P)/d(W) = -(alpha / 2) * (T / 450) * P0 / (P / P0) *

(1 + X)

Explicit equations

d(P)/d(W) = -(alpha / 2) * (T / 450) * P0 / (P / P0) *

(1 + X)

Explicit equations

T = 450 + 500 * X

T = 450 + 500 * X

k = .12 * exp(4209.76 * ((1 / 450) - (1 / T)))

k = .12 * exp(4209.76 * ((1 / 450) - (1 / T)))

Ca0 = 0.271

Ca0 = 0.271

Ca = Ca0 * (1 - X) * (450 / T) / (1 + X)

Ca = Ca0 * (1 - X) * (450 / T) / (1 + X)

ra = -k * Ca

ra = -k * Ca

Fa0 = 5.42

Fa0 = 5.42

deltaH = -20000

deltaH = -20000

Cpa = 40

Cpa = 40

rate = -ra

rate = -ra

10 P0 = 1

10 P0 = 5

11 alpha = 0.0075

11 alpha = 0.0075

1.2

=0.0075 P0=1atm

0.8

0.8

0.6

0.6

1.2

0.4

0.4

0.2

0.2

=0.0075 P0=5atm

0
0

10

20

30

40

50

10

20

10.2

=0.0075 P0=1atm

10

10

9.8

9.8

9.6
9.4

=0.0075 P0=1atm

9.4
9.2

8.8

8.8
0

10

20

30

40

50

10

20

30

40

50

40

50

1040

=0.0075 P0=1atm

=0.0075 P0=5atm

940

940
T
e
m
p

50

9.6

9.2

1040

40

Pressure

Pressure

10.2

30

840

T
e
m
p

740
640

840
740
640
540

540

440

440
0

10

20

30
W

40

50

10

20

30
W

 11-5
Calculated values of DEQ variables
Variable Initial value Minimal value Maximal value Final value
1 V

500.

500.

2 X

0.8782904

0.8782904

3 Ca0

0.022

0.022

0.022

0.022

4 Fa0

10.

10.

10.

10.

5 theta

4.

4.

4.

4.

6 Ci0

0.0221729

0.0221729

0.0221729

0.0221729

7 T

1100.

1027.564

1100.

1027.564

8 k

26.81847

2.992117

26.81847

2.992117

9 ra

-0.2369302

-0.2369302

-0.0027366

-0.0027366

Differential equations
1 d(X)/d(V) = -ra / Fa0
Explicit equations
1 Ca0 = 0.022
2 Fa0 = 10
3 theta = 4
4 Ci0 = 2 / 0.082 / 1100
5 T = (X * -80000 + 170 * 1100 + theta * 200 * 1100) / (170 + theta * 200)
6 k = exp(34.4 - 34222 / T)
7 ra = -k * ((Ca0 + Ci0) / (theta + 1)) * (1 - X) / (1 + X / (theta + 1))
1150

1
0.9

No inert
Moderate
Large

1100

0.8
0.7

1050

Temp

0.6

0.5

1000

0.4
0.3

No inert (theta=0)

0.2

950

Moderate ( theta = 1)

0.1

Large (theta= 4)

100

200

300

400

500

1
0.8

0.6
0.4
0.2
0
2

theta I

100

200

300

900

400

500

11-5 d) exothermic reaction

1.2
1

0.8
0.6
no inert

0.4

moderate
0.2

Large

0
0

100

200

300

400

500

V
1800
1600
1400

Temp

1200
1000
800
600

no inert

400

moderate

200

Large

0
0

20

40

60

80

100

120

1.2
1

0.8
0.6
0.4
0.2
0
0

10

20

30
Theta I

40

50

60