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Tutorial On Finite Differences and Numerical Integration

1) The document provides a tutorial on solving transient problems for a continuous stirred tank reactor (CSTR) using finite differences in Excel, differential equation solvers in MATLAB and Maple, and the differential equation solver in Mathematica. 2) An example problem is given for an isothermal CSTR initially containing liquid with no reactive species A, which disappears by a first-order reaction with inlet flow containing species A. Differential equations are provided describing the transient volume and concentration. 3) Methods for solving the example problem using finite differences in Excel, differential equation solvers in MATLAB and Maple, and the differential equation solver in Mathematica are outlined, with example solutions provided.

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Shaisone Shoop
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© Attribution Non-Commercial (BY-NC)
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51 views

Tutorial On Finite Differences and Numerical Integration

1) The document provides a tutorial on solving transient problems for a continuous stirred tank reactor (CSTR) using finite differences in Excel, differential equation solvers in MATLAB and Maple, and the differential equation solver in Mathematica. 2) An example problem is given for an isothermal CSTR initially containing liquid with no reactive species A, which disappears by a first-order reaction with inlet flow containing species A. Differential equations are provided describing the transient volume and concentration. 3) Methods for solving the example problem using finite differences in Excel, differential equation solvers in MATLAB and Maple, and the differential equation solver in Mathematica are outlined, with example solutions provided.

Uploaded by

Shaisone Shoop
Copyright
© Attribution Non-Commercial (BY-NC)
Available Formats
Download as DOC, PDF, TXT or read online on Scribd
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Tutorial on Finite Differences and Numerical Integration

ChE211, Spring 2005


Eample !ro"lem Statement
The example problem is the start-up of an isothermal, variable-volume CSTR. The
CSTR initially contains 250.0 L of liui! "ith #ero concentration of reactive species $.
The inlet stream flo"s at %20.0 L&h an! contains '0.0 mol&L of species $. Species $
!isappears by first-or!er chemical reaction, "ith a rate constant of '.(0 h
-'
. This CSTR is
"ell mixe!, the liui! !ensity is constant, an! the exit stream is by )ravity !raina)e "ith
tan* an! exit hole parameters such that the exit volumetric flo" rate is )iven by aV
0.5
,
"ith a + ,2.0 L
0.5
&h.
The !ifferential euations !escribin) this transient problem are as follo"s-
( )
A A Ain
in A
in
kc c c
V
v
dt
dc
aV v
dt
dV

5 . 0
.t is !esire! to pro!uce three solutions for the transient volume an! concentration in this
CSTR usin) the follo"in)-
'. /inite 0ifferences 1 2xcel
2. 0ifferential 2uation Solver Soft"are 1 3!esolve 1 4athca!
,. 0ifferential 2uation Solver Soft"are 1 25-Solve
Finite Differences in Ecel
6ut all the constants from the problem statement into cells, each clearly labele!. Choose
an increment for time 7t8 an! put it in a clearly labele! cell.
Set up table hea!in)s as follo"s- t7h8 97L8 97L8 c
$
7mol&L8 c
$
7mol&L8
.n the '
st
ro" of the table, put in t + 0 an! the correspon!in) values for 9 an! c
$
7by
assi)nin) the initial values from above to these cells8. 6ut in formulas for 9 an! c
$

from the finite-!ifference forms of the above !ifferential euations. Remember to only
use : si)ns for the constants an! not for the variables 9 an! c
$
, "hich you "ant to chan)e
from ro" to ro".
.n the 2
n!
ro" of the table, put in a formula to increment time 7+ prior t ; t8, volume 7+
prior 9 ; 9 8 an! concentration. 0ra) the cells from above for 9 an! c
$
.
<o", select the entire 2
n!
ro", )rab the far ri)ht-han! lo"er corner, an! !ra) !o"n until
chan)es from ro" to ro" are small. 6lot 9 an! c
$
versus t on the same )raph.
4y solution is )iven belo".
1
2
3
4
5
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9
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A B C D E F G H
Variable Volume CST S!ar!u"
V
0
# 250$0 %
&
A0
# 0$0 mol'%
(i) # 720 %'*
(ou! # aV
0$5
a # 32$0 %
0$5
'*
&
Ai)
# 10$0 mol'%
r
+e)A
# ,-C
A
V
- # 1$8 *
,1
! # 0$10 *
! .*/ V .%/
V .%/
&
A
.mol'%/ &
A
.mol'%/
0$00 250$0 21$40356 0 2$88
0$10 271$4 19$28214 2$88 1$37044775
0$20 290$7 17$44158 4$250448 0$65902716
0$30 308$1 15$82863 4$909475 0$30579584
0$40 324$0 14$40392 5$215271 0$12466916
0$50 338$4 13$13741 5$33994 0$03043069
0
100
200
300
400
500
600
0$00 1$00 2$00 3$00 4$00 5$00
Time (h)
V
o
l
u
m
e

(
L
)
0
1
2
3
4
5
6
C
o
n
c
e
n
t
r
a
t
i
o
n

(
m
o
l
/
L
)
Numerical Integration using #desol$e in %athcad
.n 4athca!, )o to =elp&>uic*Sheets&Calculus an! 0iff2>s&Solvin) a /irst-3r!er System
of 302s. /ollo" the example to set up your problem for solution.
?ou "ill fin! it convenient to assi)n values to your constants 790, c$0, a, vin, c$in, an!
*8 before startin) the solve bloc* an! "ritin) the !ifferential euations an! their initial
con!itions. ?ou shoul! choose a lon) enou)h time interval to reasonably approach
stea!y state. 6ro!uce )raphs of 9 vs. t an! c$ vs. t.
Solution belo"-
90 250 : c$0 0 : vin %20 :
a ,2 : c$in '0 : * '.( :
T 5 :
@iven
t
y0 t 7 8
!
!
vin a y0 t 7 8
0.5
y0 0 7 8 90
t
y' t 7 8
!
!
vin
c$in y' t 7 8 7 8
y0 t 7 8
* y' t 7 8 y' 0 7 8 c$0
9
c$

,
3!esolve
y0
y'

,
t , T ,

1
1
]
:
0 2 A
200
A00
B00
9 t 7 8
t
0 2 A
0
2
A
B
c$ t 7 8
t
Solution using E&'Sol$e
.n the 25-Solve euation "in!o", assi)n values for your constants, then type in the t"o
!ifferential euations, usin) primes to in!icate !erivatives "ith respect to time 79C an!
c$C8.
=it the solve button. ?ou "ill have to put into the pop-up "in!o" the final value for
time, the number of !ata points you "ant bet"een t + 0 an! the final time, an! the initial
values for 9 an! c$.
Copy the results table into the euation "in!o" an! print out the euations an! results.
6ro!uce )raphs of 9 vs. t an! c$ vs. t an! print them out.
Solution belo"-
(i)#720
&Ai)#10
-#1$8
a#32
V0#(i),a1V20$5
&A0#(i)1.&Ai),&A/'V,-1&A
V &A ! V0 &A0 a &Ai) - (i)
2 270$37 2$2185 0$1 193$826 16$729 32 10 1$8 720
3 288$849 3$51628 0$2 176$142 9$83234 32 10
1$8 720
4 305$667 4$2795 0$3 160$533 5$77156 32 10 1$8
720
5 321$014 4$72419 0$4 146$661 3$32956 32 10
1$8 720
6 335$048 4$9765 0$5 134$261 1$83752 32 10 1$8
720
7 347$908 5$11046 0$6 123$127 0$920128 32 10
1$8 720
8 359$71 5$17156 0$7 113$087 0$355844 32 10 1$8
720
9 370$557 5$18804 0$8 104$004 0$0112452 32 10
1$8 720
10 380$539 5$17765 0$9 95$7629 ,0$195615 32 10
1$8 720
11 389$735 5$15146 1 88$2657 ,0$315368 32 10
1$8 720

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