fogler example codes

7/22/2019 Fogler Example COdes

1/105

Scilab Code for

Elements of chemical Reaction Engineering

by H. Scott Fogler1

Created bySantosh Kumar

Dual Degree studentB. tech + M. Tech (Chem. Engg.)

Indian Institute of Technology, Bombay

College Teacher and ReviewerArun Sadashio MoharirProfessor IIT Bombay

IIT Bombay

17 October 2010

1Funded by a grant from the National Mission on Education through ICT,http://spoken-tutorial.org/NMEICT-Intro.This text book companion and Scilabcodes written in it can be downloaded from the Textbook Companion ProjectSection at the website http://scilab.in/


2/105

Book Details

Author: H. Scott Fogler

Title: Elements of chemical Reaction Engineering

Publisher: Prentice-Hall International, Inc., New Jersey

Edition: Third

Year: 2009

Place: New Jersey

ISBN: 0-13-973785-5

1


3/105

Contents

List of Scilab Code 4

1 Mole Balances 91.1 Discussion . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.2 Scilab Code . . . . . . . . . . . . . . . . . . . . . . . . . . . 9

2 Conversion and Reactor Sizing 11

2.1 Discussion . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.2 Scilab Code . . . . . . . . . . . . . . . . . . . . . . . . . . . 11

3 Rate Laws and Stoichiometry 17


4 Isothermal Reactor Design 19


5 Collection and Analysis of Rate Data 37


6 Multiple Reactions 40

6.1 Discussion . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40

6.2 Scilab Code . . . . . . . . . . . . . . . . . . . . . . . . . . . 40

7 Nonelementary Reaction Kinetics 45


2


4/105

8 Steady State Nonisothermal Reactor Design 50


9 Unsteady State Nonisothermal Reactor Design 69


10 Catalysis and Catalytic Reactors 86


11 External Diffusion Effects on Hetrogeneous Reactions 94


12 Diffusion and Reaction in Pours Catalysts 97


13 Distributions of Residence Times for Chemical Reactions 98


14 Models for Nonideal Reactors 102


3


5/105

List of Scilab Code

1.3 1.3data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.3 1.3.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.1 2.1data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.1 2.1.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.2 2.2data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.2 2.2.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.3 2.3data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.3 2.3.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.4 2.4data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.4 2.4.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.5 2.5data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.5 2.5.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.6 2.6data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 15

2.6 2.6.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 152.7 2.7data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 152.7 2.7.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163.5 3.5data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 173.5 3.5.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 174.1 4.1data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 194.1 4.1.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 194.2 4.2data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 204.2 4.2.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 214.4 4.4data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 214.4 4.4.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22

4.5 4.5data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 224.5 4.5.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 234.6 4.6data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 234.6 4.6.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23

4


6/105


7/105

8.11 8.11.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63

8.12 8.12data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 678.12 8.12.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 679.1 9.1data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 699.1 9.1.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 699.2 9.2data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 729.2 9.2.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 729.3 9.3data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 749.3 9.3.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 749.4 9.4data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 789.4 9.4.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 789.8 9.8data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . . 80

9.8 9.8.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8010.3 10.3data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 8610.3 10.3.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8610.5 10.5data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 8810.5 10.5.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9010.7 10.7data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 9110.7 10.7.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9211.1 11.1data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 9411.1 11.1.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9411.3 11.3data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 95

11.3 11.3.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9511.4 11.4data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 9611.4 11.4.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9611.5 11.5data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 9611.5 11.5.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9613.8 13.8data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 9813.8 13.8.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9813.9 13.9data.sci . . . . . . . . . . . . . . . . . . . . . . . . . . 9913.9 13.9.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10014.3 14.3.sce . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102

6


8/105

List of Figures

4.1 Output graph of S 4.1 . . . . . . . . . . . . . . . . . . . . . 204.2 Output graph of S 4.7 . . . . . . . . . . . . . . . . . . . . . 264.3 Output graph of S 4.7 . . . . . . . . . . . . . . . . . . . . . 274.4 Output graph of S 4.8 . . . . . . . . . . . . . . . . . . . . . 294.5 Output graph of S 4.9 . . . . . . . . . . . . . . . . . . . . . 314.6 Output graph of S 4.10 . . . . . . . . . . . . . . . . . . . . . 334.7 Output graph of S 4.11 . . . . . . . . . . . . . . . . . . . . . 354.8 Output graph of S 4.11 . . . . . . . . . . . . . . . . . . . . . 36

5.1 Output graph of S 5.2 . . . . . . . . . . . . . . . . . . . . . 38

6.1 Output graph of S 6.6 . . . . . . . . . . . . . . . . . . . . . 426.2 Output graph of S 6.8 . . . . . . . . . . . . . . . . . . . . . 44


8.1 Output graph of S 8.4 . . . . . . . . . . . . . . . . . . . . . 538.2 Output graph of S 8.6 . . . . . . . . . . . . . . . . . . . . . 558.3 Output graph of S 8.6 . . . . . . . . . . . . . . . . . . . . . 568.4 Output graph of S 8.6 . . . . . . . . . . . . . . . . . . . . . 578.5 Output graph of S 8.7 . . . . . . . . . . . . . . . . . . . . . 598.6 Output graph of S 8.7 . . . . . . . . . . . . . . . . . . . . . 608.7 Output graph of S 8.8 . . . . . . . . . . . . . . . . . . . . . 628.8 Output graph of S 8.11 . . . . . . . . . . . . . . . . . . . . . 64



7


9/105

9.3 Output graph of S 9.2 . . . . . . . . . . . . . . . . . . . . . 73

9.4 Output graph of S 9.3 . . . . . . . . . . . . . . . . . . . . . 759.5 Output graph of S 9.3 . . . . . . . . . . . . . . . . . . . . . 769.6 Output graph of S 9.4 . . . . . . . . . . . . . . . . . . . . . 809.7 Output graph of S 9.4 . . . . . . . . . . . . . . . . . . . . . 819.8 Output graph of S 9.4 . . . . . . . . . . . . . . . . . . . . . 829.9 Output graph of S 9.8 . . . . . . . . . . . . . . . . . . . . . 849.10 Output graph of S 9.8 . . . . . . . . . . . . . . . . . . . . . 85

10.1 Output graph of S 10.5 . . . . . . . . . . . . . . . . . . . . . 8810.2 Output graph of S 10.5 . . . . . . . . . . . . . . . . . . . . . 8910.3 Output graph of S 10.5 . . . . . . . . . . . . . . . . . . . . . 91

10.4 Output graph of S 10.7 . . . . . . . . . . . . . . . . . . . . . 93

14.1 Output graph of S 14.3 . . . . . . . . . . . . . . . . . . . . . 104

8


10/105


11/105

10


12/105

Chapter 2

Conversion and Reactor Sizing

2.1 Discussion

When executing the code from the editor, use the Execute File into Scilabtaband not the Load in Scilabtab. The .sci files of the respective problems con-tain the input parameters of the question

2.2 Scilab Code

Example 2.1 2.1data.sci

1 P0 = 10; //atm2 y A0 = 0 .5 ;

3 T 0 = 4 22 .2 ; //K4 R = 0 .0 82 ; // dm3 . atm/mol . K5 v 0 = 6 ; //dm3/ s

Example 2.1 2.1.sce

1 clc

2 c l ea r a ll3 exec ( 2. 1 dat a . s c i ) ;4 C A 0 = ( y A 0 * P 0 ) / ( R * T 0 ) ;

5 F A0 = C A0 * v0 ;

6 disp ( CA0 = )

11


13/105

7 disp ( C A 0 )

8 disp ( mol/dm3)9 disp ( FA0 = )10 disp ( F A 0 )

11 disp ( m o l / s )


1 P0 = 10; //atm2 y A0 = 0 .5 ;

3 T 0 = 4 22 .2 ; //K4 R = 0 .0 82 ; // dm3 . atm/mol . K5 v 0 = 6 ; //dm3/ s6 X = 0 . 8 ;

7 r A = - 1/ 80 0; //1/rA = 800//dm3 . s /mol

Example 2.2 2.2.sce

1 clc

2 c l ea r a ll

3 exec ( 2. 2 dat a . s c i ) ;4 C A 0 = ( y A 0 * P 0 ) / ( R * T 0 ) ;

5 F A0 = C A0 * v0 ;6 V = F A0 * X * (1 / - r A )

7

8 disp ( FA0 = )9 disp ( F A 0 )

10 disp ( m o l / s )11 disp ( V = )12 disp ( V )

13 disp ( dm3 )


1 P0 = 10; //atm2 y A0 = 0 .5 ;

3 T 0 = 4 22 .2 ; //K

12


14/105

4 R = 0 .0 82 ; // dm3 . atm/mol . K

5 v 0 = 6 ; //dm3/ s6 X = [0 0.1 0.2 0. 3 0.4 0.5 0.6 0.7 0. 8] ;7 p = [ 18 9 192 2 00 222 250 30 3 400 556 8 00 ]; //1/rA =

800//dm3 . s / mol s

Example 2.3 2.3.sce

1 clc

2 c l ea r a ll

3 exec ( 2. 3 dat a . s c i ) ;4 C A 0 = ( y A 0 * P 0 ) / ( R * T 0 ) ;

5 F A0 = C A0 * v0 ;6 //V = FA0X(1 /rA )7

8 V = F A 0 * inttrap ( X , p )

9 disp ( FA0 = )10 disp ( F A 0 )

11 disp ( m o l / s )12 disp ( V = )13 disp ( V )

14 disp ( dm3 )

15 disp ( Answer i s s l i g h t l y d i f f e r e n n t from t h e b ookb e c a u s e i n t t r a p command o f SCILAB u s e st r a p e z o i d a l i n t e g r a t i o n , w hi l e i n book i t ha sbe en c a l c u l a t e d u s in g f i v e p o in t f or mu l a e . )


1 FA0 = 5; / / mol / s2 r A a t = - ( 1 / 4 0 0 ) ;

3

4 X = [0 0.1 0.2 0.3 0.4 0.5 0.6] ;

5 p = [ 18 9 192 2 00 222 250 30 3 4 00 ]; //1/r A = 800//dm 3 . s / m o ls

Example 2.4 2.4.sce

13


15/105

1 clc

2 c l ea r a ll3 exec ( 2. 4 dat a . s c i ) ;4

5

6 V C ST R = F A 0 * X ( 7) * ( 1/ - r A at ) ;

7 V PF R = F A0 * inttrap ( X , p )

8 disp ( VCSTR = )9 disp ( V C S T R )

10 disp ( dm3)11 disp ( VPFR = )12 disp ( V P F R )

13 disp ( dm3 )


1 F A0 = 0 .8 67 ; / / mol / s2 r A = - (1 /2 50 ) ;

3 r A2 = - (1 /8 00 ) ;

4 X = 0 . 8 ;

5 X1 = 0. 4;

6 X2 = 0.8

Example 2.5 2.5.sce

1 clc

2 c l ea r a ll

3 exec ( 2. 5 dat a . s c i ) ;4

5

6 V 1 = F A0 * X 1 *( 1/ - r A ) ;

7 V 2 = F A0 * ( X2 - X 1 ) *( 1/ - r A 2 ) ;

8 V = F A0 * X * (1 / - r A2 ) ;

9 disp ( V1 = )10 disp ( V 1 )

11 disp ( dm3)12 disp ( V2 = )13 disp ( V 2 )

14


16/105

14 disp ( dm3 )

15 disp ( V = )16 disp ( V )17 disp ( dm3 )


1 F A0 = 0 .8 67 ; / / mol / s2 X = [0 0.1 0.2 0. 3 0.4 0.5 0.6 0.7 0. 8] ;

3 p = [ 18 9 192 2 00 222 250 30 3 400 556 8 00 ]; //1/rA =800//dm3 . s / mol s

Example 2.6 2.6.sce

1 clc

2 c l ea r a ll

3 exec ( 2. 6 dat a . s c i ) ;4

5

6 X 1 = X ( 1: 5) ;

7 p 1 = p ( 1: 5) ;

8 V1 = FA0 * inttrap ( X 1 , p 1 )

9 X 2 = X ( 5: 9) ;10 p 2 = p ( 5: 9) ;

11 V2 = FA0 * inttrap ( X 2 , p 2 )

12 V = V 1 + V 2 ;

13 disp ( V1 = )14 disp ( V 1 )


18 disp ( dm3 )19 disp ( V = )

20 disp ( V )21 disp ( dm3 )


15


17/105

1 F A0 = 0 .8 67 ; / / mol / s

2 X1 = 0. 5;3 X2 = 0. 8;

4 r A2 = - (1 /8 00 ) ;

5 X = [0 0.1 0.2 0. 3 0.4 0.5 0.6 0.7 0. 8] ;

6 p = [ 18 9 192 2 00 222 250 30 3 400 556 8 00 ]; //1/rA =800//dm3 . s / mol s

Example 2.7 2.7.sce

1 clc

2 c l ea r a ll

3 exec ( 2. 7 dat a . s c i ) ;4

5

6 X = X (1 :6 );

7 p = p (1 :6 );

8 V1 = FA0 * inttrap ( X , p ) ;

9 V 2 = F A0 * ( X2 - X 1 ) *( 1/ - r A 2 ) ;

10 V = V 1 + V 2 ;

11 disp ( V1 = )12 disp ( V 1 )


16 disp ( dm3 )17 disp ( V = )18 disp ( V )

19 disp ( dm3 )

16


18/105

Chapter 3

Rate Laws and Stoichiometry

3.1 Discussion


3.2 Scilab Code


1 CA0 = 10;

2 CB0 = 2;

3 X = 0 . 2 ;

4 X 1 = 0 . 9

Example 3.5 3.5.sce

1 clc

2 c l ea r a ll

3 exec ( 3. 5 dat a . s c i ) ;4 C D = C A 0 * ( X / 3 ) ;

5 C B = C A 0 * ( ( C B 0 / C A 0 ) - ( X / 3 ) ) ;

6 C D 1 = C A 0 * ( X 1 / 3 ) ;

7 C B 1 = C A 0 * ( ( C B 0 / C A 0 ) - ( X 1 / 3 ) ) ;

17


19/105

8 disp ( F or 2 0% c o n v e r s i o n )

9 disp ( CD = )10 disp ( C D )11 disp ( mol/dm3)12 disp ( CB = )13 disp ( C B )

14 disp ( mol/dm3)15 disp ( F or 9 0% c o n v e r s i o n )16 disp ( CD = )17 disp ( C D 1 )

18 disp ( mol/dm3)19 disp ( CB = )

20 disp ( C B 1 )21 disp ( mol/dm3)

18


20/105

Chapter 4

Isothermal Reactor Design

4.1 Discussion


4.2 Scilab Code


1 t = [ 0 0.5 1 1.5 2 3 4 6 1 0];

2 CC = [0 0 .1 45 .27 .3 76 .4 67 . 61 .7 15 .8 48 . 95 7] ;

3 CA0 = 1;

Example 4.1 4.1.sce

1 clc

2 c l ea r a ll

3 exec ( 4. 1 dat a . s c i ) ;

45 x = t ;

6 y = (( C A0 - C C ) / C A0 ) ;

7

8 yi = interpln ( [ x ; y ] , x ) ;

19


21/105

Figure 4.1: Output graph of S 4.1

9 plot2d ( x , y , l o g f l a g = nl ) ;10

11 k = log ( y ( 9 ) / y ( 2 ) ) / ( t ( 9 ) - t ( 2 ) ) ;

12

13

14 disp ( k = )15 disp ( k )

16 disp ( min

1 )


20


22/105

1 k = 0 .3 11 ; / / min 1;

2 F C = 6 . 13 7 ; // l b . mol /min3 X = 0 . 8 ;4 C A0 1 = 1 ; //mol/dm3

Example 4.2 4.2.sce

1 clc

2 c l ea r a ll

3 exec ( 4. 2 dat a . s c i ) ;4

5 FA0 = FC /X ;

6 v A0 = F A0 / C A 01 ;7 vB0 = vA0 ;

8 v0 = v A0 + vB 0 ;

9 V = v 0 *X / ( k *( 1 - X )) ;

10

11 // CSTR i n p a r a l l e l12 V 1 = 8 0 0/ 7. 4 8;

13

14 T au = V 1 / ( v 0 / 2) ;

15 D a = T au * k ;

16 X p ar a ll e l = D a /( 1+ D a )

17

18 / / CSTR i n s e r i e s19 T au = V 1 / v0 ;

20 n = 2 ;

21 X se r ie s = 1 - ( 1/ (1 + T au * k ) ^n ) ;

22

23 disp ( R e a c t o r v ol um e )24 disp ( V )

25 disp ( f t 3 )26 disp ( CSTR i n p a r a l l e l X = )

27 disp ( X p a r a l l e l )28 disp ( CSTR i n s e r i e s X = )29 disp ( X s e r i e s )


21


23/105

1 k 1 = 0 .0 72 ; / / s 1;

2 yA0 = 1;3 P 0= 6; //atm4 R = 0. 73 ; // atm/ lb . mol . oR5 T0 = 1 98 0; //oR6 T1 = 1 00 0; //K7 T2 = 1 10 0; // K8 e = 1 ;

9 E = 8 20 00 ; // c a l /g . mol10 F B = 0 .3 4; // lb . mol/ s11 X = 0 . 8 ;

Example 4.4 4.4.sce

1 clc

2 c l ea r a ll

3 exec ( 4. 4 dat a . s c i ) ;4

5 FA0 = FB /X ;

6 C A0 = y A0 * P 0 /( R * T0 ) ;

7 R = 1 .9 87 ;

8 k 2 = k 1 * exp ( ( E / R ) * ( ( 1 / T 1 ) - ( 1 / T 2 ) ) ) ;

9 V = ( F A0 / ( k2 * C A0 ) ) * (( 1+ e ) * log ( 1 / ( 1 - X ) ) - e * X ) ;

10

11 disp ( R e a c t o r v ol um e )12 disp ( V )

13 disp ( f t 3 )


1 A c = 0 .0 14 14 ; // f t 22 m = 1 04 .4 ; / / l bm / h3 m u = 0 .0 67 3; // l bm/ f t . h

4 D p = 0 .0 20 8; // f t5 g c = 4 .1 7 e8 ; // lbm . f t / l b f . h26 p hi = 0 .4 5;

7 r ho = 0 .4 13 ; // l bm/ f t 38 P0 = 10; / / atm

22


24/105


25/105

4

5 F T0 = F A0 + F B0 + F I ;6 y A0 = F A0 / FT 0 ;

7 e = y A0 * ( 1 -. 5 - 1) ;

8 P A0 = y A0 * P0 ;

9 k de s = k * P A0 * ( 1 /2 ) ^ ( 2/ 3) ;

10 a l ph a = 2 * b i ta 0 / ( A c * (1 - p h i ) * r h o c * P 0 ) ;

11 W = ( 1 - ( 1 - (3 * a lp ha * F A0 / ( 2* k d es ) ) * (( 1+ e ) * log ( 1 / ( 1 - X

) ) - e * X ) ) ^ ( 2 / 3 ) ) / a l p h a ;

12

13

14 disp ( W )

15 disp ( W )16 disp ( l b o f c a t a l y s t p e r t u b e )


1 k pr i me = 0 .0 2 66 ; // lb . mol/atm . lb ca t . h2 a lp ha = 0 .0 1 66 ;

3 e = - 0. 15 ;

4 W 0 = 0 ;

5 F A 0 = 1 ;

Example 4.7 4.7.sce

1 clc

2 c l ea r a ll

3 exec ( 4. 7 dat a . s c i ) ;4 W = 0 :1 :6 0;

5 function w = f ( W , Y )

6

7 w = zeros ( 2 , 1 ) ;

8 w ( 1 ) = ( k p r i me / F A 0 ) * ( (1 - Y ( 1) ) / ( 1 + e * Y ( 1) ) ) * Y ( 2 ) ;

9 w ( 2 ) = - a l p ha * ( 1 + e * Y ( 1 ) ) / (2 * Y ( 2 ) ) ;10 e n d f u n c t i o n

11

12

13 x = ode ( [ 0 ; 1 ] , W 0 , W , f ) ;

24


26/105

14 for i = 1 :6 1

15 F ( i ) = ( 1+ e * x (1 , i ) )/ x (2 , i ) ;16 end

17 F = F ;

18 for i = 1 :6 1

19 r a te ( i ) = ( k p r i me ) * ( (1 - x ( 1 , i ) ) / ( 1 + e * x (1 , i ) ) ) * x ( 2 , i

) ;

20 end

21 r a t e = r a te ;

22

23 s c f ( 1 )

24 plot2d ( W , r a t e ) ;

25 xtitle ( F i g u r e E47.1 R ea ct io n r a t e p o r f i l e downthe PBR , w , r a t e ) ;

26 s c f ( 2 )

27

28 l 1 =x ( 1 ,: )

29 l 2 =x ( 2 ,: )

30 l 3 = F

31 plot2d ( W ,[ l 1 l 2 l 3 ]) ;

32

33 xtitle ( F i g u r e E47.2 , w , x , y , z ) ;34 l e g e n d ( [

x ;

y ;

f ]) ;


1 F A0 = 4 40 ;

2 P0 = 2 00 0;

3 C a0 = . 32 ;

4 R = 30;

5 phi = .4;

6 k pr i me = 0 .0 2; // lb . mol/atm . lb ca t . h

7 L = 27;8 r ho c at = 2 .6 ;

9 m = 4 4 ;

10

11 a lp ha = 0 .0 1 66 ;

25


27/105


26


28/105


27


29/105

12 e = - 0. 15 ;

13 Z 0 = 0 ;

Example 4.8 4.8.sce

1 clc

2 c l ea r a ll

3 exec ( 4. 8 dat a . s c i ) ;4 Z = 0 :1 :1 2;

5 function w = f ( Z , Y )

6

7 w = zeros ( 2 , 1 ) ;

8 A c = 3 . 1 4* ( ( R ^ 2 ) - ( Z - L) ^ 2 ) ;9 C a = C a0 * ( 1 - Y ( 1 ) ) * Y (2 ) / ( 1 + Y ( 1) ) ;

10 r a = k p r i me * C a * r h o c at * ( 1 - p h i ) ;

11 G = m / Ac ;

12 V = 3 . 1 4 * ( Z * ( R ^ 2 ) - ( 1 .3 * ( Z - L ) ^ 3 ) - ( 1/ 3 ) * L ^ 3 )

13 b i ta = ( 9 8. 8 7 * G + 2 5 63 0 * G ^ 2 ) * 0 .0 1 ;

14 W = r h o c a t * ( 1 - p h i ) * V

15 w ( 1 ) = - r a * Ac / F A 0

16 w ( 2 ) = - b i ta / P 0 / ( Y ( 2 ) * (1 + Y ( 1 ) ) ) ;

17 e n d f u n c t i o n

1819

20 x = ode ( [ 0 ; 1 ] , Z 0 , Z , f ) ;

21 for i = 1: length ( Z )

22 V ( 1 , i ) = 3 .1 4 * Z ( 1 , i ) * (( R ^ 2 ) - ( Z (1 , i ) - L ) ^ 2 )

23 W 1 ( 1 , i ) = r h o c a t * ( 1 - p h i ) * V ( 1 , i )

24 end

25

26 l 1 =x ( 1 ,: )

27 l 2 =x ( 2 ,: )

28

29 plot2d ( W1 , [ l 1 l 2 ]) ;30

31 xtitle ( F i g u r e E48.2 , w , x , y ) ;32 l e g e n d ( [ x ; y ]) ;

28


30/105


29


31/105


1 ka = 2. 7;

2 kc = 1. 2;

3 Ct0 = .1;

4 f a0 = 10 ;

5 V 0 = 0 ;

Example 4.9 4.9.sce

1 clc

2 c l ea r a ll

3 exec ( 4. 9 dat a . s c i ) ;4 V = 0 :1 :1 00 ;

5 function w = f ( V , f a )

6

7 w = zeros ( 1 , 1 ) ;

8 f t = 2 *( f a 0 - f a ( 1 ) )

9 C a = C t0 * f a (1 ) / ft ;

10 f b = 2 *( f a0 - f a ( 1 ) );

11 Cb = C t0 * fb / ft ;

12 w ( 1 ) = - k a * ( Ca - ( C b ^ 2) / k c )

13


15

16

17 x = ode ( [ 9 . 9 9 ] , V 0 , V , f ) ;

18

19 for i = 1 :1 01

20 f b (1 , i ) = 2 *( f a0 - x ( 1 , i )) ;

21 end

22 l 1 = x ;

23 l 2 = f b ;

2425 plot2d ( V ,[ l 1 l 2 ]) ;

26

27 xtitle ( F i g u r e E49 .1 M ol a r f l o w r a t e p r o f i l e s , V , fa , fb ) ;

30


32/105


28 l e g e n d ( [ fa ; fb ]) ;


1 kc = 0. 2;

2 Ct0 = .2;

3 k = .7;

4 V 0= 0;

Example 4.10 4.10.sce

31


33/105

1 clc

2 c l ea r a ll3 exec ( 4. 10 dat a . sc i ) ;4 V = 0 :1 :5 00 ;

5 function w = f ( V , F )

6

7 w = zeros ( 3 , 1 ) ;

8

9 F t = F ( 1 ) + F ( 2 ) + F ( 3 ) ;

10 r a = - k * C t0 * ( ( F ( 1 ) / F t ) - ( Ct 0 / k c ) * ( F (2 ) / F t ) * ( F ( 3) / F t )

) ;

11 w ( 1) = r a;

12 w ( 2) = - ra - k c * C t0 * ( F (2 ) / Ft )13 w (3) = - ra ;

14


16

17

18 x = ode ( [ 1 0 ; 0 ; 0 ] , V 0 , V , f ) ;

19

20 l 1 =x ( 1 ,: )

21 l 2 =x ( 2 ,: )

22 l 3 =x ( 3 ,: )

23 plot2d ( V ,[ l 1 l 2 l 3 ]) ;

24

25 xtitle ( F i g u r e E410.2 , V , Fa , Fb , Fc ) ;26 l e g e n d ( [ Fa ; Fb ; Fc ]) ;


1 k = 2 .2 ;

2 v 00 = . 05 ;

3 C b0 = . 02 5;4 v 0 = 5 ;

5 C a0 = . 05 ;

6 t 0 = 0 ;

32


34/105


33


35/105


1 clc

2 c l ea r a ll

3 exec ( 4. 11 dat a . sc i ) ;4 t = 0 :1 :5 00 ;

5 function w = f ( t , C )

6

7 w = zeros ( 4 , 1 ) ;

8

9 v = v 0+ v 00 * t;

10 w ( 1 ) = - k * C ( 1) * C ( 2 ) - v 0 0 * C (1 ) / v ;

11 w ( 2 ) = - k * C ( 1) * C ( 2 ) + v 0 0 * ( Cb 0 - C ( 2 ) ) / v ;12 w ( 3 ) = k * C ( 1 ) * C ( 2) - v 0 0 * C ( 3 ) / v ;

13 w ( 4 ) = k * C ( 1 ) * C ( 2) - v 0 0 * C ( 4 ) / v ;

14


16

17

18 x = ode ( [ . 0 4 9 ; 0 ; 0 ; 0 ] , t 0 , t , f ) ;

19 l 1 =x ( 1 ,: )

20 l 2 =x ( 2 ,: )

21 l 3 =x ( 3 ,: )

22 for i = 1: length ( t )

23 r a te ( 1 , i ) = k * x (1 , i ) * x ( 2 , i )

24 end

25 s c f ( 1 )

26 plot2d ( t ,[ l 1 l 2 l 3 ]) ;

27

28 xtitle ( F i g u r e E41 1. 1 C o n c e n tr a t i o nt i m et r a j e c t o r i e s , t , Ca , Cb, Cc ) ;

29 l e g e n d ( [ Ca ; Cb ; Cc ]) ;30 s c f ( 2 )

31 plot2d ( t , r a t e )32 xtitle ( F i g u r e E41 1. 2 R e ac t io n r a t et i m e

t r a j e c t o r i e s , t , R e a c t i on R at e ( mol s dm3) );

33

34


36/105


34

35

36

37 V

35


37/105


36


38/105

Chapter 5

Collection and Analysis of Rate

Data

5.1 Discussion


5.2 Scilab Code


1 t = [0 2.5 5 10 15 20] ;

2 P = [ 7. 5 1 0. 5 1 2.5 1 5.8 1 7.9 1 9.4 ] ;

3 P0 = 7. 5;

Example 5.2 5.2.sce

1 clc

2 c l ea r a ll3 exec ( 5. 2 dat a . s c i ) ;4 for i =1: length ( t )

5 g (i ) = log ( 2 * P 0 / ( 3 * P 0 - P ( i ) ) ) ;

6 end

37


39/105


7 plot2d ( t , g ) ;

8

9 xtitle ( F i g u r e E411.2 P lo t o f p r o ce s s ed d at a , t( mi n) , 2PTo/3PToPT ) ;


1 CHCl = [1 4 2 .1 .5];

2 r HC l = [ 1. 2 2 1 .3 6 . 36 . 74 ]* 1 e7 ;

Example 5.3 5.3.sce

38


40/105

1 clc

2 c l ea r a ll3 exec ( 5. 3 dat a . s c i ) ;4

5 x = log ( C H C l ) ;

6 y = log ( - r H C l ) ;

7 plot2d ( x , y ) ;

8

9 xtitle ( F i g u r e E53.2 , CHCl ( g mol / l i t e r ) , r HC l0 ( g m ol / cm 2 . s ) ) ;


1 C CH 4 = [ 2. 44 4 .4 4 10 1 .6 5 2 .4 7 1 .7 5] *1 e -4 ;

2 PCO = [1 1.8 4.08 1 1 1] ;

3 v 0 = 30 0;

4 W = 1 0;

Example 5.4 5.4.sce

1 clc

2 c l ea r a ll

3 exec ( 5. 4 dat a . s c i ) ;4

5 r CH 4 = ( v 0 /W ) * C CH 4 ; x

6 x = log ( P C O ) ;

7 y = log ( r C H 4 )

8 a l ph a = ( y ( 3 ) - y ( 2) ) / ( x ( 3 ) - x ( 2) ) ;

9 // pl ot 2d ( x , y )10 disp ( a l p h a )11 disp ( a l p h a )

39


41/105

Chapter 6

Multiple Reactions

6.1 Discussion


6.2 Scilab Code


1 k 1 = 5 5. 2;

2 k 2 = 3 0 . 2 ;

3 t 0 = 0 ;

Example 6.6 6.6.sce

1 clc

2 c l ea r a ll

3 exec ( 6. 6 dat a . s c i ) ;

4 t = 0 :. 01 :. 5;5 function w = f ( t , c )

6

7 w = zeros ( 3 , 1 ) ;

8

40


42/105

9 r 1 = - k1 * c ( 2) * c ( 1) ^ . 5;

10 r 2 = - k2 * c ( 3) * c ( 1) ^ . 5;11 w ( 1) = r 1 + r2 ;

12 w (2) = r1 ;

13 w ( 3) = - r1 + r2 ;

14


16

17 x = ode ( [ . 0 2 1 ; . 0 1 0 5 ; 0 ] , t 0 , t , f ) ;

18

19 l 1 =x ( 1 ,: )

20 l 2 =x ( 2 ,: )

21 l 3 =x ( 3 ,: ) 22

23 plot2d ( t ,[ l 1 l 2 l 3 ]) ;

24

25 xtitle ( F i g u r e E66.1 , Tau ( hr ) , C o n c e n t r a t i o n( l b mol / f t 3 ) ;

26 l e g e n d ( [ CH ; CM ; CX ]) ;


1 v 0 = 0;

Example 6.8 6.8.sce

1 clc

2 c l ea r a ll

3 exec ( 6. 8 dat a . s c i ) ;4 v = 0 :. 1: 10 ;

5 function w = F F (v , f )

6

7 w = zeros ( 6 , 1 ) ;8 f t = f ( 1 ) + f ( 2) + f ( 2 ) + f ( 4) + f ( 5 ) + f ( 6) ;

9 r 1a = - 5* 8* ( f ( 1 ) / ft ) * ( f ( 2 ) / ft ) ^ 2 ;

10 r 2a = - 2* 4* ( f ( 1 ) / ft ) * ( f ( 2 ) / ft ) ;

11 r 4c = - 5 *3 . 17 5 *( f ( 3 ) / f t ) * ( f ( 1) / f t ) ^ ( 2 / 3) ;

41


43/105


42


44/105

12 r 3b = - 1 0* 8 *( ( f ( 3 ) / f t ) ^ 2) * ( f ( 2 ) / f t ) ;

13 C a = 2* f ( 1 ) / f t ;14 C b = 2* f ( 2 ) / f t ;

15 C c = 2* f ( 3 ) / f t ;

16 C d = 2* f ( 4 ) / f t ;

17 C e = 2* f ( 5 ) / f t ;

18 C f = 2* f ( 6 ) / f t ;

19 w ( 1 ) = 1 . 25 * r 1 a + . 7 5* r 2 a + r 3 b ;

20 w ( 2) = r 1a + r 2a + 2 * r 4c / 3 ;

21 w ( 3) = - r 1a + 2 * r3 b + r4 c ;

22 w ( 4 ) = - 1 . 5 * r 1a - 1 . 5 * r 2a - r 4 c ;

23 w ( 5 ) = . 5* r 2a - 5 * r 4c / 6 ;

24 w ( 6) = -2* r 3b ;25


27

28 x = ode ( [ 9 ; 9 ; 0 ; 0 ; 0 ; 0 ] , v 0 , v , F F ) ;

29

30 plot2d ( v , x ( 1 , : ) / 1 0 , r e c t = [ 1 , 0 , 1 0 , 1 . 5 ] ) ; //B31 plot2d ( v , x ( 2 , : ) / 1 0 , r e c t = [ 1 , 0 , 1 0 , 1 . 5 ] ) ; //A32 plot2d ( v , x ( 3 , : ) / 1 0 , r e c t = [ 1 , 0 , 1 0 , 1 . 5 ] ) ; //C33 plot2d ( v , x ( 4 , : ) / 1 0 , r e c t = [ 1 , 0 , 1 0 , 1 . 5 ] ) ;

34 plot2d ( v , x ( 5 , : ) / 1 0 , r e c t = [ 1 , 0 , 1 0 , 1 . 5 ] ) ;

35 plot2d ( v , x ( 6 , : ) / 1 0 , r e c t = [ 1 , 0 , 1 0 , 1 . 5 ] ) ;

36 xtitle ( Figu reE ) ;37 l eg e nd ( [ B ; A ; C ; D ; E ; F ]) ;

43


45/105


44


46/105

Chapter 7

Nonelementary Reaction

Kinetics

7.1 Discussion


7.2 Scilab Code


1 C ur ea = [ .2 . 02 . 01 . 00 5 . 00 2] ;

2 r ur ea = - [1 .0 8 . 55 . 38 .2 . 09 ] ;

Example 7.7 7.7.sce

1 clc

2 c l ea r a ll

3 exec ( 7. 7 dat a . s c i ) ;4 for i=1: length ( C u r e a )

5 x ( i ) = 1 / C u re a ( i ) ;

6 y ( i ) = 1 /( - r u r ea ( i ) ) ;

7 end

45


47/105


8 s l op e = ( y ( 5 ) - y ( 1) ) / ( x ( 5 ) - x ( 1) ) ;

9 plot2d ( x , y )

10

11 xtitle ( F i g u r e E77.1 , 1/C ur e a , 1/ r u r e a ) ;12

13 disp ( (Km/Vma = s l o p e )14 disp ( s l o p e )


1 K m = 0 .0 26 6;

46


48/105

2 V ma x1 = 1 .3 3;

3 E t2 = 0 .0 01 ;4 Et1 = 5;

5 X = .8;

6 C ur ea 0 = . 1;

Example 7.8 7.8.sce

1 clc

2 c l ea r a ll

3 exec ( 7. 8 dat a . s c i ) ;4 V ma x = ( E t2 / E t1 ) * V m ax 1

5 t = ( Km / V ma x )* log ( 1 / ( 1 - X ) ) + C u r e a 0 * X / V m a x ;6 disp ( t )7 disp ( t )

8 disp ( s )


1 y s c = 1 / . 0 8 ;

2 y pc = 5 .6 ;

3 ks = 1. 7;

4 m = 0. 03 ;5 u ma x = . 33 ;

6 t 0 = 0 ;

Example 7.9 7.9.sce

1 clc

2 c l ea r a ll

3 exec ( 7. 9 dat a . s c i ) ;4 t = 0 :. 1: 12 ;

5 function w = f ( t , c )

6

7 w = zeros ( 3 , 1 ) ;

8

9 r d = c ( 1) * .0 1;

47


49/105

10 r sm = m / c (1 ) ;

11 k o bs = ( u m a x * (1 - c ( 3 ) / 9 3 ) ^ . 5 2) ;12 r g = k o bs * c ( 1 ) * c ( 2 ) /( k s + c ( 2 ) ) ;

13 / / r 2 = k2 c ( 3 ) c ( 1 ) . 5 ;14 w ( 1) = rg - r d ;

15 w ( 2) = y sc * ( - rg ) - r sm ;

16 w ( 3) = rg * yp c ;

17


19

20 x = ode ( [ 1 ; 2 5 0 ; 0 ] , t 0 , t , f ) ;

21

22 l 1 =x ( 1 ,: ) 23 l 2 =x ( 2 ,: )

24 l 3 =x ( 3 ,: )

25

26 plot2d ( t ,[ l 1 l 2 l 3 ]) ;

27

28 xtitle ( F i g u r e E79.1 c o n c e n t r a t i o ns a s a f u nc t i o no f t im e , t ( hr ) , C ( g/dm3) ) ;

29 l e g e n d ( [ Cc ; Cs ; Cp ]) ;

48


50/105


49


51/105

Chapter 8

Steady State Nonisothermal

Reactor Design

8.1 Discussion


8.2 Scilab Code


1 H 0N H3 = - 11 02 0; / / c a l / m ol eN 22 H0 H2 = 0;

3 HN2 = 0;

4 C pN H3 = 8 .9 2; // c a l /mole H2 . K5 C pH 2 = 6 .9 92 ; // c a l /mole N2 . K6 C p N2 = 6 . 98 4 ; // c a l /moleNH3 .K7 T = 4 2 3 ; //K

8 TR = 29 8; //K

Example 8.3 8.3.sce

1 clc

50


52/105

2 c l ea r a ll

3 exec ( 8. 3 dat a . s c i ) ;4 d e l ta H R x0 = 2 * H 0N H3 - 3* H 0 H2 - H N 2 ;5 d e l ta C p = 2 * C pN H3 - 3* C p H2 - C p N 2 ;

6 d e l ta H R x = d e l ta H R x0 + d e l ta C p * ( T - T R ) ;

7 disp ( The h e at o f r e a c t i o n on t he b a s i s on t he m ol eso f H2 r e ac t e d i s = )

8 disp ( ( 1 / 3 ) * d e l t a H R x * 4 . 1 8 4 )

9 disp ( J a t 4 23 K )


1 T = [53 5 5 50 565 575 58 5 595 6 05 615 625] ;2 H 0C = - 2 26 0 00 ;

3 H 0B = - 12 30 00 ;

4 H 0A = - 66 60 0;

5 CpC = 46;

6 CpB = 18;

7 CpA = 35;

8 C pM = 1 9. 5;

9 TR = 52 8;

10 T i0 = 5 35 ;

11 v A0 = 4 6. 62 ;

12 v B0 = 4 6. 62 ;

13 V M0 = 2 33 .1 ;

14 V = 40 .1 ;

15 F A0 = 4 3 .0 4 ;

16 F M0 = 7 1. 8 7; ;

17 F B0 = 8 02 .8 ;

18 A = 1 6. 96 e 12 ;

19 E = 3 24 00 ;

20 R = 1 .9 87 ;

Example 8.4 8.4.sce

1 clc

2 c l ea r a ll

3 exec ( 8. 4 dat a . s c i ) ;

51


53/105

4 H Rx 0 = H0 C - H0 B - H 0A ;

5 d e lt a Cp = C pC - C pB - C pA ;6 d e l ta H R x0 = H R x0 + d e l t a C p * ( TR - T R ) ;

7 v 0 = v A0 + v B0 + V M0 ;

8 tau = V / v0 ;

9 C A0 = F A0 / v0 ;

10 p hi M0 = F M0 / F A0 ;

11 p hi B0 = F B0 / F A0 ;

12 C pi = C pA + p h i B 0 * C pB + p h i M 0 * C pM ;

13

14 for i =1: length ( T )

15 X EB ( i ) = - C p i *( T ( i ) - T i 0 ) /( d e l t a H Rx 0 + d e l t a Cp * ( T ( i ) - T R

) ) ;16 X MB ( i ) = t au * A *exp ( - E / ( R * T ( i ) ) ) / ( 1 + t a u * A * exp ( - E / ( R * T

( i ) ) ) ) ;

17 end

18

19

20

21 plot2d ( T , [ X EB X MB ] ) ;

22

23 xtitle ( F i g u r e E84.2 , T(oR) , C o n v e rs i o n , X );

24 l e g e n d ( [ XEB ; XMB ]) ;


1 F a0 = . 9* 1 63 ;

2 C a0 = 9 .3 ;

3 V 0 = 0 ;

Example 8.6 8.6.sce

1 clc

2 c l ea r a ll

3 exec ( 8. 6 dat a . s c i ) ;4 V = 0 :. 1: 3. 6;

52


54/105


53


55/105

5 function w = f ( V , X )

67 w = zeros ( 1 , 1 ) ;

8 T = 3 3 0+ 4 3 .3 * X ;

9 k = 3 1 . 1 * exp ( 7 9 0 6 * ( T - 3 6 0 ) / ( T * 3 6 0 ) ) ;

10 Kc = 3 .0 3* exp ( - 8 3 0 . 3 * ( ( T - 3 6 0 ) / ( T * 3 6 0 ) ) ) ;

11 X e = Kc / (1 + Kc ) ;

12 r a = - k * C a0 * ( 1 - ( 1+ ( 1/ K c ) ) * X ) ;

13 w ( 1) = - ra / F a0 ;

14 r at e = - ra ;


16

17 x = ode ( [ 0 ] , V 0 , V , f ) ;18

19 for i =1: length ( x )

20 T ( 1 , i ) = 3 3 0 +4 3 . 3* x ( 1 , i )

21

22 k ( 1 , i ) = 3 1 . 1 * exp ( 7 9 0 6 * ( T ( 1 , i ) - 3 6 0 ) / ( T ( 1 , i ) * 3 6 0 ) ) ;

23 K c (1 , i ) = 3 .0 3* exp ( - 8 3 0 . 3 * ( ( T ( 1 , i ) - 3 6 0 ) / ( T ( 1 , i )

* 3 6 0 ) ) ) ;

24

25 r a (1 , i ) = k ( 1 , i ) * C a0 * ( 1 - ( 1+ ( 1/ K c ( 1 , i ) ) ) * x (1 , i ) ) ;

26 end

27 s c f ( 1 )

28 plot2d ( V , x ( 1 , : ) ) ;

29

30 xtitle ( F i g u r e E86.1a , V(m3 ) , X ) ;31 s c f ( 2 )

32 plot2d ( V , T ( 1 , : ) ) ;

33

34 xtitle ( F i g u r e E86.1b , V(m3 ) , T (K) ) ;35

36 s c f ( 3 )

37 plot2d ( V , r a ) ;38

39 xtitle ( F i g u r e E86. 1c , V(m3 ) , r a ( k mo l /m 3 h r) ) ;

54


56/105



1 F a0 = 3 8. 3 ;

2 C a0 = 1 8. 3;

3 T0 = 1 03 5;

4 Tr = 29 8;

5 V 0 = 0 ;

Example 8.7 8.7.sce

1 clc

2 c l ea r a ll

55


57/105


56


58/105


57


59/105

3 // t h i s c o de i s o nl y f o r t h e f i r s t p ar t o f t he

p r o b l em ( A d i a b a t i c PFR )4 exec ( 8. 7 dat a . s c i ) ;5 V = 0 :. 1: 5;

6 function w = f ( V , Y )

7

8 w = zeros ( 2 , 1 ) ;

9

10 k = ( 8 . 2 e 1 4 ) * exp ( - 3 4 2 2 2 / Y ( 1 ) ) ;

11

12 C pa = 2 6 . 6 3+ . 1 8 3* Y ( 1 ) - ( 45 . 86 e - 6 ) * ( Y ( 1 ) ^ 2) ;

13 d e lC p = 6 . 8 - ( 11 . 5 e - 3) * Y ( 1 ) - ( 3. 81 e - 6 ) * ( Y ( 1) ^ 2 ) ;

14 d e l t a H = 8 0 7 7 0 + 6 . 8 * ( Y ( 1 ) - T r ) - ( 5 .7 5 e - 3 ) * ( ( Y ( 1 ) ^ 2 ) - T r^ 2 ) - (1 . 2 7 e - 6 ) * ( ( Y ( 1 ) ^ 3 ) - T r ^ 3 ) ;

15 r a = - k * C a0 * ( ( (1 - Y ( 2 ) ) / ( 1+ Y ( 2 ) ) ) * ( T 0 / Y ( 1) ) ) ;

16 w ( 1 ) = - r a *( - d e l t a H ) / ( F a0 * ( C p a + Y ( 2) * d e l C p ) ) ;

17 w ( 2) = - ra / F a0 ;

18


20

21 x = ode ( [ 1 0 3 5 ; 0 ] , V 0 , V , f ) ;

22 s c f ( 1 )

23 plot2d ( V , x ( 1 , : ) ) ;

24

25 xtitle ( F i g u r e E87.1 , V (m3 ) , T (K) ) ;26

27 s c f ( 2 )

28 plot2d ( V , x ( 2 , : ) ) ;

29

30 xtitle ( F i g u r e E87.1 , V (m3 ) , X ) ;


1 T = [ 3 00 :1 0 :6 0 0] ;

Example 8.8 8.8.sce

58


60/105


59


61/105


60


62/105

1 clc

2 c l ea r a ll3 exec ( 8. 8 dat a . s c i ) ;4 for i = 1: length ( T )

5 X e (i ) = 1 0 00 0 0* exp ( - 3 3 . 7 8 * ( T ( i ) - 2 9 8 ) / ( T ( i ) ) ) / ( 1 +

100000* exp ( - 3 3 . 7 8 * ( T ( i ) - 2 9 8 ) / T ( i ) ) ) ;

6 X EB ( i ) = ( 2 .5 e - 3 ) * ( T ( i ) - 3 0 0) ;

7 end

8 plot2d ( T ,[ X e X EB ] )

9

10 xtitle ( F i g u r e E88.1 , T , X ) ;11 l e g e n d ( [ Xe ; XEB ]) ;


1 clc

2 c l ea r a ll

3 //eY ( 2 ) e c ( 8 . 6 dat a . s c i ) ;4 W = 0 : 1: 2 8. 5 8;

5 W 0 = 0 ;

6 function w = f ( W , Y )

7 w = zeros ( 3 , 1 ) ;

89

10 f a o = . 1 8 8

11 v i s c = . 0 9 0

12 T a = 1 2 6 4 . 6 7

13 d e l t a h = - 4 2 4 71 - 1 . 5 63 * ( Y ( 3 ) - 1 26 0 ) + . 0 0 1 3 6 * ( Y ( 3 )

* * 2 - 1 2 6 0 * * 2 ) - (2 . 4 5 9 *1 0 * * ( - 7 ) ) * ( Y ( 3 ) * * 3 - 1 2 6 0 * *3 ) ;

14 s u mm = 5 7 . 23 + . 0 14 * Y ( 3 ) - 1. 94 * 1 0* * ( - 6 . ) * Y ( 3) * * 2

15 d c p = - 1 . 5 6 2 5 +2 . 7 2 * 1 0 * *( - 3 ) * Y ( 3 ) - 7 . 38 * 1 0 ** ( - 7 ) * Y ( 3 ) * * 2

16 k = 3 6 0 D * exp ( -176008/Y (3) -(110.1* log ( Y ( 3 ) ) ) + 9 1 2 . 8 )

17 t h e t a s o = 0 ;18 P o = 2

19 P a o = . 2 2

20 t h e t a o = . 9 1

21 e p s = - . 0 5 5

61


63/105


62


64/105

22 R = 1 . 9 8 7 ;

23 Kp = exp (42311/R/Y(3) -11.24);24 if ( Y ( 2 ) < = . 05 )

25

26 r a = ( - k * ( . 8 4 8 - . 0 1 2 / ( K p * * 2 ) ) ) ;

27 else

28 r a = ( - k * ( 1 - Y ( 2 ) ) / ( t h e t a s o + Y ( 2 ) ) ) * * . 5 * ( Y ( 1 ) / P o * P a o

* ( ( t h e ta o -. 5 * Y ( 2 ) ) / ( ( 1 + e p s * Y ( 2 ) ) ) - (( t h e t a s o + Y

( 2 ) ) / ( 1 - Y ( 2 ) ) ) * * 2 / ( K p * * 2 ) ) ) ;

29 end

30

31 w ( 1 ) = ( - 1 . 1 2 * 1 0 * * ( - 8 ) * ( 1 - . 0 5 5 * Y ( 2 ) ) * Y ( 3 ) ) * ( 5 5 0 0 * v i s c

+ 2 28 8 ) / Y ( 1 ) ;32 w ( 2 ) = - ( ra ) / f a o ;

33 w ( 3 ) = ( 5 . 11 * ( T a - Y ( 3) ) + ( - r a ) *( - d e l t a h ) ) / ( f a o *( s u m m + Y

( 2 ) * d c p ) )


35

36 X = ode ( [ 2 ; 0 ; 1 4 0 0 ] , W 0 , W , f ) ;

37

38 plot2d ( W , X ( 1 , : ) ) ;

39 plot2d ( W , X ( 3 , : ) ) ;


1 V 0 = 0 ;

2 C t o = 0 . 1 ;

3 T o = 4 2 3 ;


1 clc

2 c l ea r a ll3 exec ( 8. 11 dat a . sc i ) ;4 V = 0 :. 01 :1 ;

5

6 function w = f ( V , Y )

63


65/105


64


66/105


65


67/105

7

8 w = zeros ( 4 , 1 ) ;9

10 k 1 a = 1 0 * exp ( 4 0 0 0 * ( ( 1 / 3 0 0 ) - ( 1 / Y ( 4 ) ) ) ) ;

11 k 2 a = . 0 9 * exp (9000*((1/300) -(1/Y(4))))

12

13 F t = Y ( 1 ) + Y ( 2 ) + Y ( 3 ) ;

14

15 C a = C t o * ( Y ( 1 ) / F t ) * ( T o / Y ( 4 ) )

16 C b = C t o * ( Y ( 2 ) / F t ) * ( T o / Y ( 4 ) )

17 C c = C t o * ( Y ( 3 ) / F t ) * ( T o / Y ( 4 ) )

18 r 1 a = - k 1 a * C a ;

19 r 2 a = - k 2 a * C a ^ 2 ;20

21 w ( 1 ) = r 1 a + r 2 a ;

22 w ( 2 ) = - r 1 a ;

23

24 w ( 3 ) = - r 2 a / 2 ;

25 w ( 4 ) = ( 4 0 0 0 * ( 3 7 3 - Y ( 4 ) ) + ( - r 1 a ) * 2 0 0 0 0 + ( - r 2 a ) * 6 0 0 0 0 )

/ ( 9 0 * Y ( 1 ) + 9 0 * Y ( 2 ) + 1 8 0 * Y ( 3 ) ) ;


27

28 x = ode ( [ 1 0 0 ; 0 ; 0 ; 4 2 3 ] , V 0 , V , f ) ;

29

30 s c f ( 1 )

31 plot2d ( V , x ( 4 , : ) ) ;

32

33 xtitle ( F i g u r e E811.1 , V , T ) ;34

35 s c f ( 2 )

36

37 l 1 =x ( 1 ,: )

38 l 2 =x ( 2 ,: )

39 l 3 =x ( 3 ,: ) 40 plot2d ( V ,[ l 1 l 2 l 3 ]) ;

41

42 xtitle ( F i g u r e E811.2 , V , Fa , Fb , Fc ) ;43 l e g e n d ( [ Fa ; Fb ; Fc ]) ;

66


68/105


1 C p = 2 0 0

2 C a o = 0 . 3

3 T o = 2 8 3

4 t a u = . 0 1 ;

5 D H 1 = - 5 5 0 0 0 ;

6 D H 2 = - 7 1 5 0 0 ;

7 v o = 1 0 0 0 ;

8 E 2 = 2 7 0 0 0 ;

9 E 1 = 9 9 0 0 ;

10 U A = 4 0 0 0 0 ;

11 T a = 3 3 0 ;


1 clc

2 c l ea r a ll

3 exec ( 8. 12 dat a . sc i ) ;4 t = 1 : 1 0 : 2 5 0 ;

5 for i=1: length ( t )

6 T ( i ) = 2 * t ( i ) + 2 8 3 ;7

8 k 2 ( i ) = 4 . 5 8 * exp ( ( E 2 / 1 . 9 8 7 ) * ( ( 1 / 5 0 0 ) -( 1/ T ( i ) ) ) )

9 k 1 ( i ) = 3 . 3 * exp ( ( E 1 / 1 . 9 8 7 ) * ( ( 1 / 3 0 0 ) - (1 / T ( i ) ) ) )

10 C a ( i ) = C a o / ( 1 + t a u * k 1 ( i ) )

11 k a p p a = U A / ( v o * C a o ) / C p

12 G ( i ) = - ( t a u * k 1 ( i ) / ( 1 + k 1 ( i ) * t a u ) ) * D H 1 - ( k 1 ( i ) * t a u * k 2 ( i )

* t a u * D H2 / ( ( 1 + t a u * k 1 ( i) ) * ( 1+ t a u * k 2 ( i ) ) ) ) ;

13 T c = ( T o + k a p p a * T a ) / ( 1 + k a p p a ) ;

14 C b ( i ) = t a u * k 1 ( i ) * C a ( i ) / ( 1 + k 2 ( i ) * t a u ) ;

15 R ( i ) = C p * ( 1 + k a p p a ) * ( T ( i ) - T c ) ;

16 C c = C a o - C a ( i ) - C b ( i ) ;

17 F ( i ) = G ( i ) - R ( i ) ;

18 end

19 plot ( T ,[ G R ] )

67


69/105


20

21 xtitle ( F i g u r e E812.1 , T (K) , G(T) ,R(T) ) ;22 l e g e n d ( [ G(T) ; R(T) ]) ;

68


70/105

Chapter 9

Unsteady State Nonisothermal

Reactor Design

9.1 Discussion


9.2 Scilab Code


1 t 0 = 0 ;

Example 9.1 9.1.sce

1 clc

2 c l ea r a ll

3 exec ( 9. 1 dat a . s c i ) ;4 t = 0 :1 0: 15 00 ;

5 function w = f ( t , x )

6

7 w = zeros ( 1 , 1 ) ;

69


71/105


70


72/105


71


73/105

8

9 t 1 = 5 3 5 + 9 0 . 4 5 * x10 k = . 0 0 02 7 3 * exp (16306*((1/535) -(1/t1)));

11 w ( 1 ) = k * ( 1 - x )


13

14 X = ode ( [ 0 ] , t 0 , t , f ) ;

15 T = 5 3 5 + 9 0 . 4 5 * X ;

16 s c f ( 1 )

17 plot2d ( t , T ) ;

18

19 xtitle ( F i g u r e E91.1 , t ( Se c on ds ) , T ( oR ) ) ;

2021 s c f ( 2 )

22 plot2d ( t , X ) ;

23

24 xtitle ( F i g u r e E91.1 , t ( Se c on ds ) , X ) ;


1 N C p = 2 5 0 4 ;

2 U = 3 . 2 6 5 + 1 . 8 5 4 ;

3 N a o = 9 . 0 4 4 8 ;4 U A = 3 5 . 8 3 ;

5 d H = - 5 9 0 0 0 0 ;

6 N b o = 3 3 ;

7 t 0 = 5 5 ;

Example 9.2 9.2.sce

1 clc

2 c l ea r a ll

3 // t h i s c o de i s o nl y f o r P a r t C4 exec ( 9. 2 dat a . s c i ) ;5 t = 5 5: 1: 12 1;

6 function w = f ( t , Y )

7

72


74/105


73


75/105

8 w = zeros ( 2 , 1 ) ;

910

11

12 k = . 0 0 0 1 7 * exp ( 1 1 2 7 3 / ( 1 . 9 8 7 ) * ( 1 / 4 6 1 - 1 / Y ( 1 ) ) )

13 Q r = U A *( Y ( 1 ) - 29 8)

14 T h e a t a = N b o / N a o

15 r a = - k * ( N a o * * 2 ) * ( 1 - Y ( 2 ) ) * ( T h e a t a - 2 * Y ( 2 ) ) / ( U * * 2 )

16 r a t e = - r a

17 Q g = r a * U * ( d H )

18 w ( 1 ) = ( Q g - Q r ) / N C p

19 w ( 2 ) = ( - r a ) * U / N a o

20 e n d f u n c t i o n21

22 x = ode ( [ 4 6 7 . 9 9 2 ; 0 . 0 4 2 3 ] , t 0 , t , f ) ;

23

24

25 plot2d ( t , x ( 1 , : ) ) ;

26

27 xtitle ( F i g u r e E92.2 , t , T ( oC ) ) ;


1 v 0 = . 0 0 4 ;

2 C b 0 = 1 ;

3 U A = 3 0 0 0 ;

4 T a = 2 9 0 ;

5 c p = 7 5 2 4 0 ;

6 T 0 = 3 0 0 ;

7 d h = - 7 . 9 0 7 6 e 7 ;

8 C w 0 = 5 5 ;

9 c p a = 1 7 0 7 0 0 ;

10 V i = . 2 ;

11 t 0 = 0 ;

Example 9.3 9.3.sce

74


76/105


75


77/105


76


78/105

1 clc

2 c l ea r a ll3 exec ( 9. 3 dat a . s c i ) ;4 t = 0 :1 :3 60 ;

5


7

8 w = zeros ( 5 , 1 ) ;

9

10 k = . 3 9 1 7 5 * exp ( 5 4 7 2 . 7 * ( ( 1 / 2 7 3 ) - ( 1 / Y ( 4 ) ) ) ) ;

11 C d = Y ( 3 ) ;

12

13 K c = 1 0 ^ ( 3 8 8 5 . 4 4 / Y ( 4 ) )14 V = V i + v 0 * t ;

15 F b 0 = C b 0 * v 0 ;

16 r a = - k * ( ( Y ( 1 ) * Y ( 2 ) ) - ( ( Y ( 3 ) * C d ) / K c ) ) ;

17 N a = V * Y ( 1 )

18 N b = V * Y ( 2 )

19 N c = V * Y ( 3 )

20 r b = r a

21 r c = - r a

22 N d = V * C d

23 r a t e = - r a

24 N C p = c p * ( N b + N c + N d + Y ( 5 ) ) + c p a * N a ;

25 w ( 1 ) = r a - ( v 0 * Y ( 1 ) ) / V ;

26 w ( 2 ) = r b + ( v 0 *( C b0 - Y ( 2 ) ) / V );

27 w ( 3) = rc - ( Y ( 3) * v 0 ) /V ;

28 w ( 4 ) = ( U A * ( Ta - Y ( 4 ) ) - F b 0 * c p * ( 1 +5 5 ) * ( Y ( 4) - T 0 ) + r a * V * dh )

/ N C p

29 w ( 5) = v 0 * Cw 0


31

32 x = ode ( [ 5 ; 0 . 0 0 0 1 ; 0 0 . 0 0 0 1 ; 3 0 0 ; 6 . 1 4 ] , t 0 , t , f ) ;

33 s c f ( 1 )34 plot2d ( t , x ( 4 , : ) ) ;

35

36 xtitle ( F i g u r e E93.1 , t , T ) ;37

77


79/105

38 s c f ( 2 )

39 l 1 =x ( 1 ,: ) 40 l 2 =x ( 2 ,: )

41 l 3 =x ( 3 ,: )

42 plot2d ( t ,[ l 1 l 2 l 3 ]) ;

43

44 xtitle ( F i g u r e E93.2 , t , Ca , Cb, Cc ) ;45 l e g e n d ( [ Ca ; Cb ; Cc ]) ;


1 F a 0 = 8 0 ;

2 T 0 = 7 5 ;3 V = ( 1 / 7 . 4 8 4 ) * 5 0 0 ;

4 U A = 1 6 0 0 0 ;

5 T a 1 = 6 0 ;

6 F b 0 = 1 0 0 0 ;

7 F m 0 = 1 0 0 ;

8 m c = 1 0 0 0 ;

9 t 0 = 0 ;

Example 9.4 9.4.sce

1 clc

2 c l ea r a ll

3 // e x e c ( 9. 3 dat a . sc i ) ;4 t = 0 : .0 0 01 : 4;

5 t 0 = 0 ;


7

8 w = zeros ( 5 , 1 ) ;

9

10 F a 0 = 8 0 ;

11 T 0 = 7 5 ;12 V = ( 1 / 7 . 4 8 4 ) * 5 0 0 ;

13 U A = 1 6 0 0 0 ;

14 T a 1 = 6 0 ;

15 k = 1 6 . 9 6 e 1 2 * exp ( - 3 2 4 0 0 / 1 . 9 8 7 / ( Y ( 5 ) + 4 6 0 ) ) ;

78


80/105

16 F b 0 = 1 0 0 0 ;

17 F m 0 = 1 0 0 ;18 m c = 1 0 0 0 ;

19 r a = - k * Y ( 1 ) ;

20 r b = - k * Y ( 1 ) ;

21 r c =k * Y (1 ) ;

22 N m = Y ( 4 ) * V ;

23 N a = Y ( 1 ) * V ;

24 N b = Y ( 2 ) * V ;

25 N c = Y ( 3 ) * V ;

26 T h e t a C p = 3 5 + ( F b 0 / F a 0 ) * 1 8 + ( F m 0 / F a 0 ) * 1 9 . 5 ;

27 v 0 = ( F a 0 / 0 . 9 2 3 ) + ( F b 0 / 3 . 4 5 ) + ( F m 0 / 1 . 5 4 ) ;

28 T a2 = Y ( 5 ) - ( Y ( 5 ) - T a1 ) * exp ( - U A / ( 1 8 * m c ) ) ;29 C a 0 = F a 0 / v 0

30 C b 0 = F b 0 / v 0

31 C m 0 = F m 0 / v 0

32 Q = m c * 1 8 * ( T a 1 - T a 2 ) ;

33 t a u = V / v 0 ;

34 N C p = N a * 3 5 + N b * 1 8 + N c * 4 6 + N m * 1 3 . 5 ;

35 w ( 1 ) = ( 1 / t a u ) * ( C a 0 - Y ( 1 ) ) + r a ;

36 w ( 2 ) = ( 1 / t a u ) * ( C b 0 - Y ( 2 ) ) + r b ;

37 w ( 3 ) = ( 1 / t a u ) * ( - Y ( 3 ) ) + r c ;

38 w ( 4 ) = ( 1/ t a u ) * ( C m0 - Y ( 4 ) ) ;

39 w ( 5 ) = ( Q - F a0 * T h e t a C p * ( Y ( 5) - T 0 ) + ( - 3 6 0 00 ) * r a * V ) / N Cp ;


41

42 x = ode ( [ 0 ; 3 . 4 5 ; 0 ; 0 ; 7 5 ] , t 0 , t , f ) ;

43 s c f ( 1 )

44 plot2d ( t , x ( 1 , : ) ) ;

45

46 xtitle ( F i g u r e E94.1 , t , Ca ) ;47

48 s c f ( 2 )

49 plot2d ( t , x ( 5 , : ) ) ;50

51 xtitle ( F i g u r e E94.2 , t , T ) ;52 s c f ( 3 )

53 plot2d ( x ( 5 , : ) , x ( 1 , : ) ) ;

79


81/105


54

55 xtitle ( F i g u r e E94.3 , T , Ca ) ;


1 C a o = 4 ;

2 v o = 2 4 0 ;

3 t 0 = 0 ;

Example 9.8 9.8.sce

80


82/105


81


83/105


82


84/105

1 clc

2 c l ea r a ll3 exec ( 9. 8 dat a . s c i ) ;4 t = 0 : .0 1 :1 . 5;

5


7

8 w = zeros ( 4 , 1 ) ;

9

10 k 1 a = 1 . 2 5 * exp ( ( 9 5 0 0 / 1 . 9 8 7 ) * ( ( 1 / 3 2 0 ) - ( 1 / Y ( 4 ) ) ) ) ;

11 k 2 b = 0 . 0 8 * exp ( ( 7 0 0 0 / 1 . 9 8 7 ) * ( ( 1 / 2 9 0 ) - ( 1 / Y ( 4 ) ) ) ) ;

12 r a = - k 1 a * Y ( 1 ) ;

13 V = 1 0 0 + v o * t ;14 r c = 3 * k 2 b * Y ( 2 ) ;

15 r b = k 1 a * ( Y ( 1 ) / 2 ) - k 2 b * Y ( 2 ) ;

16 w ( 1 ) = r a + ( C a o - Y ( 1 ) ) * v o / V ;

17 w ( 2 ) = r b - Y ( 2 ) * v o / V ;

18 w ( 3 ) = rc - Y ( 3 ) * v o / V ; w ( 4 ) = ( 3 50 0 0 *( 2 9 8 - Y ( 4 ) ) - C a o * v o

* 3 0 * ( Y ( 4 ) - 3 05 ) + ( ( - 6 5 0 0) * ( - k 1 a * Y ( 1 ) ) + ( 8 0 0 0 ) * ( - k 2 b *

Y ( 2 ) ) ) * V ) / ( ( Y ( 1 ) * 3 0 + Y ( 2 ) * 6 0 + Y ( 3 ) * 2 0 ) * V + 1 0 0 * 3 5 ) ;


20

21 x = ode ( [ 1 ; 0 ; 0 ; 2 9 0 ] , t 0 , t , f ) ;

22

23

24 s c f ( 1 )

25 l 1 =x ( 1 ,: )

26 l 2 =x ( 2 ,: )

27 l 3 =x ( 3 ,: )

28 plot2d ( t ,[ l 1 l 2 l 3 ]) ;

29

30 xtitle ( F i g u r e E98.1 , t , Ca , Cb, Cc ) ;31 l e g e n d ( [ Ca ; Cb ; Cc ]) ;

3233 s c f ( 2 )

34 plot2d ( t , x ( 4 , : ) ) ;

35

36 xtitle ( F i g u r e E98.2 , t , T ) ;

83


85/105


84


86/105


85


87/105

Chapter 10

Catalysis and Catalytic

Reactors

10.1 Discussion


10.2 Scilab Code


1 f t O = 5 0

2 k = . 0 0 0 0 0 0 0 1 4 5 * 1 0 0 0 * 6 0 ;

3 k t = 1 . 0 3 8 ;

4 k b = 1 . 3 9 ;

5 a l p h a = 0 . 0 0 0 0 9 8 ;

6 P o = 4 0 ;

7 w 0 = 0 ;


1 clc

2 c l ea r a ll

86


88/105

3 exec ( 10 . 3 dat a . s c i ) ;

4 w = 0 : 10 : 10 0 00 ;5

6 function W = f ( w , x )

7

8 W = zeros ( 1 , 1 ) ;

9

10 p t 0 = . 3 * P o ;

11 y = ( 1 - a l p h a * w ) ^ . 5 ;

12 p h = p t 0 * ( 1 . 5 - x ) * y ;

13 p t = p t 0 * ( 1 - x ) * y ;

14 p b = 2 * p t 0 * x * y ;

15 r t = - k * k t * p h * p t / ( 1 + k b * p b + k t * p t ) ;16 r a t e = - r t ;

17 W ( 1 ) = - r t / f t O ;


19 p t 0 = . 3 * P o ;

20 X = ode ( [ 0 ] , w 0 , w , f ) ;

21

22

23 for i =1: length ( X )

24 y ( 1 , i ) = ( 1 - a l p h a * w ( 1 , i ) ) ^ . 5 ;

25 p h ( 1 , i ) = p t 0 * ( 1 . 5 - X ( 1 , i ) ) * y ( 1 , i ) ;

26 p t ( 1 , i ) = p t 0 * ( 1 - X ( 1 , i ) ) * y ( 1 , i ) ;

27 p b ( 1 , i ) = 2 * p t 0 * X ( 1 , i ) * y ( 1 , i )

28 end

29

30 m 1 = X ;

31 m 2 = y ;

32 s c f ( 1 )

33 plot2d ( w ,[ m 1 m 2 ]) ;

34

35 xtitle ( F i g u r e E103.1 , w , x , y ) ;

36 l e g e n d ( [ x ; y ]) ;37

38 s c f ( 2 )

39 l 1 = p h

40 l 2 = p t

87


89/105


41 l 3 = p b

42 plot2d ( w ,[ l 1 l 2 l 3 ]) ;

43

44 xtitle ( F i g u r e E103.2 , w , ph , pt , pb ) ;45 l e g e n d ( [ ph ; pt ; pb ]) ;


1 k d = 9 ;

2 C a 0 = . 8 ;

3 t a u = . 0 2

88


90/105


89


91/105

4 k = 4 5 ;

5 C t 0 = 1 ;6 t 0 = 0


1 clc

2 c l ea r a ll

3 exec ( 10 . 5 dat a . s c i ) ;4 t = 0 :. 01 :. 5;

5


78 w = zeros ( 2 , 1 ) ;

9

10

11 y a 0 = C a 0 / C t 0 ;

12 X = 1 - ( 1 + y a 0 ) / ( 1 + Y ( 2 ) / C t 0 ) * Y ( 2 ) / C a 0 ;

13 w ( 1 ) = - k d * Y ( 1 ) * Y ( 2 ) ;

14 w ( 2 ) = ( C a 0 / t au ) - (( 1+ y a 0 ) / ( 1 +( Y ( 2 ) / C t 0 ) ) + t au * Y ( 1 ) * k )

* Y ( 2 ) / t a u ;


16

17 x = ode ( [ 1 ; . 8 ] , t 0 , t , f ) ;

18 C a 0 = . 8 ;

19 C t 0 = 1

20 y a 0 = C a 0 / C t 0 ;

21 for i=1: length ( t )

22 X 1 ( i ) = 1 - ( 1 + y a 0 ) / ( 1 + x ( 2 , i ) / C t 0 ) * x ( 2 , i ) / C a 0 ;

23 end

24

25

26 l 1 =x ( 1 ,: )

27 l 2 =x ( 2 ,: ) 28 l 3 = X 1 ;

29 plot2d ( t ,[ l 1 l 2 l 3 ]) ;

30

31 xtitle ( F i g u r e E105.1 , t , a , Ca , X ) ;

90


92/105


32 l e g e n d ( [ a ; Ca ; X ]) ;


1 K a = 0 . 0 5 ;

2 K b = . 1 5 ;

3 P a o = 1 2 ;

4 e p s = 1 ;

5 A = 7 . 6 ;

6 R = 0 . 0 8 2 ;

7 T = 4 0 0 + 2 7 3 ;

91


93/105

8 K c = . 1 ;

9 r h o = 8 0 ;10 k p r i m e = 0 . 0 0 1 4 ;

11 D = 1 . 5 ;

12 U o = 2 . 5 ;


1 clc

2 c l ea r a ll

3 exec ( 10 . 7 dat a . s c i ) ;4 z = 0 :. 1: 10 ;

5 z 0 = 0 ;6 function w = f ( z , X )

7

8 w = zeros ( 1 , 1 ) ;

9

10

11 U = U o * ( 1 + e p s * X )

12 P a = P a o * ( 1 - X ) / ( 1 + e p s * X )

13 P b = P a o * X / ( 1 + e p s * X )

14 v o = U o * 3 . 1 4 1 6 * D * D / 4

15 C a 0 = P a o / R / T

16 K c a = K a * R * T

17 P c = P b

18 a = 1 / ( 1 + A * ( z / U ) * * 0 . 5 )

19 r a p ri m e = a * ( - k p ri m e * P a / ( 1+ K a * P a + Kb * P b + K c * Pc ) )

20 r a = r h o * r a p r i m e ;

21 w ( 1 ) = - r a / U / C a 0


23

24 x = ode ( [ 0 ] , z 0 , z , f ) ;

25 for i=1: length ( z )

26 U ( 1 , i ) = U o * ( 1 + e p s * x ( 1 , i ) )27 a ( 1 , i ) = 1 / ( 1 + A * ( z ( 1 , i ) / U ( 1 , i ) ) * * 0 . 5 )

28 end

29

30

92


94/105


31 l 1 =x ( 1 ,: )

32 l 2 =a ( 1 ,: )

33

34 plot2d ( z ,[ l 1 l 2 ]) ;

35

36 xtitle ( F i g u r e E107.1 , z , X, a ) ;37 l e g e n d ( [ X ; a ]) ;

93


95/105

Chapter 11

External Diffusion Effects on

Hetrogeneous Reactions

11.1 Discussion


11.2 Scilab Code


1 D AB = 1 e - 6;

2 C T 0 = . 1 ; //kmol/m33 y A b = . 9 ;

4 y A s = . 2 ;

5 s = 1 e - 6 ;

6 c = . 1 ;


1 clc

2 c l ea r a ll

3 exec ( 11 . 1 dat a . s c i ) ;

94


96/105

4 W A Z 1 = D A B * C T 0 * ( y A b - y A s ) / s ;

5 W A Z 2 = c * D A B * C T 0 * log ( ( 1 - y A s ) / ( 1 - y A b ) ) / s ;6 disp ( W A Z 1 )

7 disp ( W A Z 2 )


1 D = . 0 0 2 5 ; //m2 L = . 0 0 5 ; //m3 p h i = . 3 ;

4 U = 1 5 ; //m/ s ;5 v = 4 . 5 e - 4 ; //m2 / s

6 r = . 0 0 2 5 / 2 ;7 L p = . 0 0 5 ;

8 D A B 0 = . 6 9 e - 4 ;

9 T = 7 5 0 ;

10 T 0 = 2 9 8 ;

11 z = . 0 5 ; //m


1 clc

2 c l ea r a ll

3 exec ( 11 . 3 dat a . s c i ) ;4 // t h i s i s o nl y P ar t A o f t he p ro bl e m .5 d p = ( 6 * ( D ^ 2 ) * L / 4 ) ^ ( 1 / 3 ) ;

6 disp ( P a r t i c l e d i a me t er dp = )7 disp ( d p )

8 disp ( m )9 a c = 6 * ( 1 - p h i ) * ( 1 / d p ) ;

10 disp ( S u r f a c e a r e a p er vo lu me o f bed = )11 disp ( a c )

12 disp ( m2/m3 )

13 R e = d p *U / v ;14 Y = ( 2 * r * L p + 2 * r ^ 2 ) / d p ^ 2 ;

15 R e p r i m e = R e / ( ( 1 - p h i ) * Y ) ;

16 D A B = D A B 0 * ( T / T 0 ) ^ ( 1 . 7 5 ) ;

17 S c = v / D A B ;

95


97/105

18 S h p r i m e = ( ( R e p r i m e ) ^ . 5 ) * S c ^ ( 1 / 3 ) ;

19 k c = D A B * ( 1 - p h i ) * Y * ( S h p r i m e ) / ( d p * p h i ) ;20 X = 1 - exp ( - k c * a c * z / U ) ;

21 disp ( X = )22 disp ( X )


1 X 1 = . 8 6 5 ;


1 clc

2 c l ea r a ll

3 exec ( 11 . 4 dat a . s c i )4 X 2 = 1 - ( 1 / exp (( log ( 1 / ( 1 - X 1 ) ) ) * ( 1 / 2 ) * ( ( 2 ) ^ . 5 ) ) ) ;

5 disp ( X2 = )6 disp ( X 2 )


1 X 1 = . 8 6 5 ;

2 T 1 = 6 7 3 ;3 T 2 = 7 7 3 ;


1 clc

2 c l ea r a ll

3 exec ( 11 . 5 dat a . s c i )4 X 2 = 1 - ( 1 / exp (( log ( 1 / ( 1 - X 1 ) ) ) * ( ( T 2 / T 1 ) ^ ( 5 / 1 2 ) ) ) ) ;

5 disp ( X2 = )6 disp ( X 2 )

96


98/105

Chapter 12

Diffusion and Reaction in

Pours Catalysts

12.1 Discussion


12.2 Scilab Code

97


99/105

Chapter 13

Distributions of Residence

Times for Chemical Reactions

13.1 Discussion


13.2 Scilab Code


1 k = 0 . 0 1

2 c a o = 8 ;

3 z 0 = 0 ;


1 clc

2 c l ea r a ll3 exec ( 13 . 8 dat a . s c i ) ;4 z = 0 :1 :2 00 ;

5

6 function w = f ( z , x )

98


100/105

7

8 w = zeros ( 1 , 1 ) ;9

10 l a m = 2 0 0 - z ;

11 c a = c a o * ( 1 - x )

12 E 1 = 4 . 4 4 6 5 8 e - 1 0 * ( l a m ^ 4 ) - 1 . 18 0 2 e - 7 * ( l a m ^ 3 ) + 1 . 3 5 3 5 8 e

-5*(lam ^2) -.00086

13 5 6 5 2 * l a m + . 0 2 8 0 0 4 ;

14 E 2 = - 2 .6 4 e - 9 * ( l a m ^ 3 ) + 1 . 3 6 1 8 e - 6 * ( l a m ^ 2 ) - . 0 0 0 24 0 6 9 * l a m

+.015011

15 F 1 = 4 . 4 4 6 5 8 e - 1 0 / 5 * ( l a m ^ 5 ) - 1 . 18 0 2 e - 7 / 4 * l a m ^ 4 + 1 . 3 5 3 5 8 e

- 5 / 3 * l a m ^ 3 - . 0 0 0 8 6 5 6 5 2 / 2 * l a m ^ 2 + . 0 2 8 0 0 4 * l a m ;

16 F 2 = - ( - 9 . 3 0 7 6 e - 8 * l a m ^ 3 + 5 . 0 2 8 4 6 e - 5 * l a m ^ 2 - . 0 0 9 4 1 * l a m+ . 6 1 8 2 3 - 1 )

17 r a = - k * c a ^ 2 ;

18 if l am < = 70

19 E = E 1

20 else

21 E = ( E 2 )

22 end

23 if ( lam < = 70 )

24 F = F 1

25 else

26 F = F 2

27 end

28 E F = E / ( 1 - F )

29 w ( 1 ) = - ( r a / c a o + E / ( 1 - F ) * x )


31

32 X = ode ( [ 0 ] , z 0 , z , f ) ;

33

34 plot2d ( z , X ) ;


1 k 1 = 1 ;

2 k 2 = 1 ;

3 k 3 = 1 ;

99


101/105

4 t 0 = 0 ;


1 clc

2 c l ea r a ll

3 exec ( 13 . 9 dat a . s c i ) ;4 t = 0 : .1 : 2. 5 2;

5


7

8 w = zeros ( 1 0 , 1 ) ;

910 E 1 = - 2 . 1 0 4 * t ^ 4 + 4 . 1 6 7 * t ^ 3 - 1 . 5 9 6 * t ^ 2 + 0 . 3 5 3 * t - . 0 0 4

11 E 2 = - 2 . 1 0 4 * t ^ 4 + 1 7 . 0 3 7 * t ^ 3 - 5 0 . 2 4 7 * t ^ 2 + 6 2 . 9 6 4 * t - 2 7 . 4 0 2

12 r c = k 1 * Y ( 1 ) * Y ( 2 )

13 r e = k 3 * Y ( 2 ) * Y ( 4 )

14 r a = - k 1 * Y ( 1 ) * Y ( 2 ) - k 2 * Y ( 1 )

15 r b = - k 1 * Y ( 1 ) * Y ( 2 ) - k 3 * Y ( 2 ) * Y ( 4 )

16 if t < = 1. 26

17 E = E 1

18 else

19 E = E 2

20 end

21 r d = k 2 * Y ( 1 ) - k 3 * Y ( 2 ) * Y ( 4 )

22

23 w ( 1 ) = r a

24 w ( 2) = r b

25 w ( 3) = r c

26 w ( 6 ) = Y ( 1 ) * E

27 w ( 7 ) = Y ( 2 ) * E

28 w ( 8 ) = Y ( 3 ) * E

29 w ( 4 ) = r d

30 w ( 5) = r e31 w ( 9 ) = Y ( 4 ) * E

32 w ( 1 0 ) = Y ( 5 ) * E


34

100


102/105

35 X = ode ( [ 1 ; 1 ; 0 ; 0 ; 0 ; 0 ; 0 ; 0 ; 0 ; 0 ] , t 0 , t , f ) ;

3637 plot2d ( t , X ( 1 , : ) ) ;

101


103/105

Chapter 14

Models for Nonideal Reactors

14.1 Discussion


14.2 Scilab Code


1 clc

2 c l ea r a ll

3

4 t = 0 :1 0: 20 0;

5


7

8 w = zeros ( 2 , 1 ) ;

9

10 C T e 1 = 2 0 0 0 - 5 9 . 6 * t + . 6 4 * t ^ 2 - 0 . 0 0 1 4 6 * t ^ 3 - 1 . 0 4 7 * 1 0 ^ ( - 5 ) * t^4

11 B e t a = . 1

12 C T e 2 = 9 2 1 - 1 7 . 3 * t + . 1 2 9 * t ^ 2 - 0 . 0 0 0 4 3 8 * t ^ 3 + 5 . 6 * 1 0 ^ ( - 7 ) * t

^4

102


104/105

13 a l p h a = . 8

14 t a u = 4 015 if ( t < 8 0 )

16 C T e = C T e 1

17 else

18 C T e = C T e 2

19 end

20

21 w ( 1 ) = ( B e t a * Y ( 2 ) - (1 + B e t a ) * Y ( 1 ) ) / a l p h a / t a u

22 w ( 2 ) = ( B e t a * Y ( 1 ) - B e t a * Y ( 2 ) ) / ( 1 - a l p h a ) / t a u


24

25 X = ode ( [ 2 0 0 0 ; 0 ] , t 0 , t , f ) ;26

27 t = t ;

28 for i =1: length ( t )

29 C T e 1 ( i ) = 2 0 0 0 - 5 9 . 6 * t ( i ) + . 6 4 * ( t ( i ) ^ 2 ) -0 . 0 0 14 6 * ( t ( i ) ^ 3 )

- 1 . 0 4 7 * ( 1 0 ^ ( - 5 ) ) * t ( i ) ^ 4 ;

30 C T e 2 ( i ) = 9 2 1 - 1 7 . 3 * t ( i ) + . 1 2 9 * t ( i ) ^ 2 - 0 . 0 0 0 4 3 8 * t ( i )

^ 3 + 5 . 6 * 1 0 ^ ( - 7 ) * t ( i ) ^ 4

31 if ( t ( i ) < 8 0 )

32 C T e ( i ) = C T e 1 ( i )

33 else

34 C T e ( i ) = C T e 2 ( i )

35 end

36 end

37

38

39 l 1 =X ( 1 ,: ) ;

40 l 2 = C T e ;

41

42 plot2d ( t ,[ l 1 l 2 ]) ;

43

44 xtitle ( F i g u r e E143.1 , t , CT1 , CTe ) ;45 l e g e n d ( [ CT1 ; CTe ]) ;

103


105/105

fogler example codes

Documents