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=
(6 1)
( + )
0.75
=
( + )
(6 2)
Problema:
Resuelva este conjunto de ecuaciones diferenciales comenzando a
0 = 0 , = 5.0 , = 0.05 y tomando como tiempo final
= 20. Utilice unidades coherentes.
Represente grficamente respecto al tiempo para las condiciones del
apartado 1.
Resolucin:
0.3
=
10 6 +
(6 3)
2 =
0.225
=
10 6 +
(6 4)
1
0.3
=
10 6 +
12 =
1
0.310 6
=
10 6 + 2
2
0.225
=
10 6 +
22 =
2 0.22510 6
=
10 6 + 2
11 =
21 =
1 =
1,2 =
11 + 22
11 + 22 4 11 22 12 21
2
(6 5)
(6 6)
(6 7)
POLYMATH Report
Ordinary Differential Equations
Variable
Maximal value
Final value
16.335
16.335
5.
-1.721E-14
5.
-1.721E-14
0.05
0.05
6.716667
6.716667
0.3
0.3
0.3
0.3
Km
1.0E-06
1.0E-06
1.0E-06
1.0E-06
J11
0.2999999
-5.163E-09
0.2999999
-5.163E-09
J12
6.0E-10
6.0E-10
2.015E+06
2.015E+06
J21
-0.225
-0.225
3.872E-09
3.872E-09
J22
-4.5E-10
-1.511E+06
-4.5E-10
-1.511E+06
10
lamda1
0.2999999
0.2999999
11
0.75
0.75
0.75
0.75
12
lamda2
-1.511E+06
-1.511E+06
Differential equations
d(S)/d(t) = -k * y * B * S / (Km + S)
d(B)/d(t) = k * B * S / (Km + S)
Explicit equations
k = 0.3
Km = 1.e-6
J11 = k * S / (Km + S)
dF1/dB
J12 = k * Km * B / (Km + S) ^ 2
dF1/dS
General
y = .75
11
2
9
0.000 sec
RKF_45
0.000001
0.000001
A. Mtodo Stiff
POLYMATH Report
Ordinary Differential Equations
Variable
Initial value
Minimal value
Maximal value
Final value
20.
20.
5.
4.163E-35
5.
4.163E-35
0.05
0.05
6.716667
6.716667
0.3
0.3
0.3
0.3
Km
1.0E-06
1.0E-06
1.0E-06
1.0E-06
J11
0.2999999
-2.547E-29
0.2999999
-2.547E-29
J12
6.0E-10
6.0E-10
2.015E+06
2.015E+06
J21
-0.225
-0.225
1.91E-29
1.91E-29
J22
-4.5E-10
-1.511E+06
-4.5E-10
-1.511E+06
10
lamda1
0.2999999
0.2999999
11
0.75
0.75
0.75
0.75
12
lamda2
-1.511E+06
-1.511E+06
Differential equations
d(S)/d(t) = -k * y * B * S / (Km + S)
d(B)/d(t) = k * B * S / (Km + S)
Explicit equations
k = 0.3
Km = 1.e-6
J11 = k * S / (Km + S)
dF1/dB
J12 = k * Km * B / (Km + S) ^ 2
dF1/dS
General
y = .75
11
Elapsed time
1.157 sec
Solution method
stiff
0.00001
0.0001
0.00000001
Good steps
198
Bad steps
14
2
= 2.500 2 3
(6 8)
3
= 0.0131 1.0001 3 2.5002 3
Las condiciones iniciales son: y1 (0) = 1, y2 (0) = 1 e y3 (0) = 0. Estas ecuaciones generalmente se
integran desde t0 = 0 hasta tf = 50.
Problema:
a) Resuelva el sistema definido por el conjunto de ecuaciones (6-8) con las condiciones inciales
dadas. Compare las soluciones y los tiempos de ejecucin cuando se utilizan los algoritmos de
integracin RKF45 y STIFF.
APLICACIN DE POLYMATH
POLYMATH Report
Ordinary Differential Equations
No Title
Variable
Initial value
50.
50.
1.
0.5973781
1.
0.5973781
1.
1.
1.400721
1.400721
-0.0036396
-0.0019008
0.013
0.013
0.013
0.013
1.
1.
1.
1.
2.5
2.5
2.5
2.5
Differential equations
d(S)/d(t) = -a * S - b * S * V
d(K)/d(t) = -c * K * V
d(V)/d(t) = -a * S - b * S * V - c * K * V
1 a = 0.013
Explicit equations
2 b=1
3 c = 2.5
General
6
3
3
0.000 sec
RKF_45
0.000001
0.000001
POLYMATH Report
Ordinary Differential Equations
No Title
Variable
Initial value
Minimal value
Maximal value
Final value
50.
50.
1.
0.5973781
1.
0.5973781
1.
1.
1.400721
1.400721
-0.00364
-0.0019008
0.013
0.013
0.013
0.013
1.
1.
1.
1.
2.5
2.5
2.5
2.5
Differential equations
Explicit equations
General
d(S)/d(t) = -a * S - b * S * V
d(K)/d(t) = -c * K * V
d(V)/d(t) = -a * S - b * S * V - c * K * V
a = 0.013
b=1
c = 2.5
6
3
3
0.000 sec
stiff
0.00001
0.0001
0.00000001
157
Bad steps
= +
= + +
=
1 +
69
=
+
Donde T es la temperatura absoluta de los reactivos en el fluido (R), P=presin parcial del reactivo en el fluido
(atm), Tp = temperatura del reactivo en la superficie del catalizador (R), Pp = presin parcial del reactivo en la
superficie del catalizador (atm), K = constante de velocidad de reaccin adimensional, = tiempo adimensional.
Las constantes adimensionales son: Hg=320, Te=600. HT=266.67, Hw=1.6, Tw=720, F=8000, A=0.17142,
C=205.74 y Pe=0.1.
= 1.88 103 1 +
6 10
15000
= 0.0006 exp(20.7
)
Resolucin parcial
= 1.296 + 10.369
269.267 1.752
=
266.667
0.1
=
6 11
1 + 321
320 + 0.1
=
321
15.000
= 0.006 exp 20.7
= = /
(6 12)
(6 13)
=
= 4 4
(6 14)
=
=
=
Donde es la constante de Stefan-Boltzmann, con un valor de 5,676 x 10-8 W/m2*K4.
Problema
Las superficie de losa se mantienen a 0 = 290 y la temperatura del cuerpo negro de los aireadores es
0 = 1273 , = 0.2
Calcule y represente la temperatura de la primera losa utilizando el mtodo secante para determinar la
constante de flujo calorfico en la losa Cul es el valor correspondiente a ?
Resolucin
Este problema se resolver optimizando el valor del flujo calorfico, qx/A, para que se satisfaga la condicin
final. En este caso, una funcin objetivo, representando el error en la condicin final, se puede expresar
mediante:
= = 4 4 =
(6 15)
=
Donde el flujo calorfico qx/A es designado como Qx y T es el valor final de la integracin numrica a x=L.
Mtodo Secante
, =
6 16
(6 17)
POLYMATH Report
Ordinary Differential Equations
Variable
Initial value
Minimal value
Maximal value
Final value
0.2
0.2
T1
290.
290.
636.1485
636.1485
290.
290.
636.1191
636.1191
Qx
-1.0E+05
-1.0E+05
-1.0E+05
-1.0E+05
47.4
47.4
68.16715
68.16715
k1
47.4
47.4
68.16891
68.16891
TB
1273.
1273.
1273.
1273.
delta
0.0001
0.0001
0.0001
0.0001
Qx1
-1.0E+05
-1.0E+05
-1.0E+05
-1.0E+05
10
err
4.866E+04
3.976E+04
4.866E+04
3.976E+04
11
err1
4.865E+04
3.975E+04
4.865E+04
3.975E+04
12
derr
1.
1.
1.171474
1.171474
13
QxNEW
-1.487E+05
-1.487E+05
-1.339E+05
-1.339E+05
Differential equations
Explicit equations
d(T1)/d(x) = -Qx1 / k1
d(T)/d(x) = -Qx / k
Qx = -100000
k = 30 * (1 + 0.002 * T)
k1 = 30 * (1 + 0.002 * T1)
TB = 1273
delta = 0.0001
Qx1 = (1 + delta) * Qx
err = Qx - 5.676e-8 * (T ^ 4 - TB ^ 4)
10
General
12
2
10
0.000 sec
RKF_45
0.000001
(6 19)
POLYMATH Report
Ordinary Differential Equations
6.4(b) ITERATIVE SOLUTION OF ODE BOUNDARY VALUE PROBLEM - False Position Method
Variable
Initial value
Minimal value
Maximal value
Final value
0.2
0.2
290.
290.
727.8572
727.8572
QxN
-1.5E+05
-1.5E+05
-1.5E+05
-1.5E+05
47.4
47.4
73.67143
73.67143
QxP
-1.0E+05
-1.0E+05
-1.0E+05
-1.0E+05
TB
1273.
1273.
1273.
1273.
FQxN
-2.136E+04
-2.136E+04
-2.136E+04
-2.136E+04
FQxP
3.976E+04
3.976E+04
3.976E+04
3.976E+04
QxNEW
-1.325E+05
-1.325E+05
-1.325E+05
-1.325E+05
10
FQxNEW
1.613E+04
597.8489
1.613E+04
597.8489
Differential equations
d(T)/d(x) = -QxNEW / k
Explicit equations
General
QxN = -150000
k = 30 * (1 + 0.002 * T)
QxP = -100000
TB = 1273
FQxN = -21355
FQxP = 39764
9
1
8
0.000 sec
RKF_45
0.000001
0.000001
(6 20)
2
Donde CA es la concentracin del reactivo A (kg-mol/m3), z es la distancia variable (m), k es
la constante de velocidad de reaccin homognea (s-1) y DAB es el coeficiente de difusin
binaria (m2/s).
= 0 = 0
(6 21)
= 0 =
(6 22)
1
= 0
(6 23)
cosh
Problema
* Resuelve numricamente la ecuacin 6.20 con las condiciones frontera de 6.21 y 6.22 en el
caso de que CA0=0.2 Kg mol/m, k=10-3 s-1, DAB =1.210 m2/s y L =10-3m.
Resolucin
= , ,
APLICACION DE POLYMATH
POLYMATH Report
Ordinary Differential Equations
Variable
Initial value
Minimal value
Maximal value
Final value
0.001
0.001
CA
0.2
0.1175647
0.2
0.1175647
-150.
-150.
-26.16397
-26.16397
0.001
0.001
0.001
0.001
DAB
1.2E-09
1.2E-09
1.2E-09
1.2E-09
err
-150.
-150.
-26.16397
-26.16397
d(CA)/d(z) = y
d(y)/d(z) = k * CA / DAB
Differential equations
Explicit equations
k = 0.001
DAB = 1.2E-9
err = y
METODO SECANTE
POLYMATH Report
Ordinary Differential Equations
Variable
Initial value
Minimal value
Maximal value
Final value
0.001
0.001
CA
0.2
0.1404279
0.2
0.1404606
-130.
-130.
2.764383
2.764383
CA1
0.2
0.1404135
0.2
0.1404457
y1
-130.013
-130.013
2.745579
2.745579
0.001
0.001
0.001
0.001
DAB
1.2E-09
1.2E-09
1.2E-09
1.2E-09
err
-130.
-130.
2.764383
2.764383
err1
-130.013
-130.013
2.745579
2.745579
10
y0
-130.
-130.
-130.
-130.
11
0.001
0.001
0.001
0.001
12
delta
0.0001
0.0001
0.0001
0.0001
13
CAanal
0.2
0.1382726
0.2
0.1382726
14
derr
1.
1.
1.446418
1.446418
15
ynew
-5.227E-11
-131.9112
-5.227E-11
-131.9112
Differential equations
d(CA)/d(z) = y
d(y)/d(z) = k * CA / DAB
d(CA1)/d(z) = y1
Explicit equations
k = 0.001
DAB = 1.2E-9
err = y - 0
err1 = y1 - 0
y0 = -130
L = .001
delta = 0.0001
10
= 0
=
= 0
= +
Problema
Resuelva este sistema de ecuaciones cuando CA0=CB0=1.5, KC1=1.06, KC2=2.63 y KC3=5
comenzando por los tres grupos de suposiciones iniciales siguientes
a) = = = 0
Resolucin
1
=
2
=
3
APLICACIN DE POLYMATH
POLYMATH Report
Nonlinear Equations
Variable
Value
f(x)
Initial Guess
CD
0.7053344
-1.342E-08
CX
0.1777924
-4.623E-08
CZ
0.3739766
3.969E-08
Variable
Value
KC1
1.06
CY
0.551769
KC2
2.63
KC3
5.
CA0
1.5
CB0
1.5
CC
0.1535654
CA
0.420689
CB
0.2428966
Nonlinear equations
Explicit equations
f(CD) = CC * CD - KC1 * CA * CB = 0
f(CX) = CX * CY - KC2 * CB * CC = 0
f(CZ) = CZ - KC3 * CA * CX = 0
KC1 = 1.06
CY = CX + CZ
KC2 = 2.63
KC3 = 5
CA0 = 1.5
CB0 = 1.5
CC = CD - CY
CA = CA0 - CD - CZ
CB = CB0 - CD - CY
Aceleracin de la resolucin de
ecuaciones no lineales
= 1
= 2
= 3
6 30
POLYMATH Report
Nonlinear Equations
Variable
Value
f(x)
Initial Guess
CD
0.7053344
-1.342E-08
CX
0.1777924
-4.623E-08
CZ
0.3739766
3.969E-08
Variable
Value
KC1
1.06
CY
0.551769
KC2
2.63
KC3
5.
CA0
1.5
CB0
1.5
CC
0.1535654
CA
0.420689
CB
0.2428966
Nonlinear equations
f(CD) = CC * CD - KC1 * CA * CB = 0
f(CX) = CX * CY - KC2 * CB * CC = 0
f(CZ) = CZ - KC3 * CA * CX = 0
Explicit equations
General Settings
KC1 = 1.06
CY = CX + CZ
KC2 = 2.63
KC3 = 5
CA0 = 1.5
CB0 = 1.5
CC = CD - CY
CA = CA0 - CD - CZ
CB = CB0 - CD - CY
12
3
9
0.0000 sec
SAFEBROYDN
150
0.0000001
0.0000001
0.0000001
=
(6 31)
2 2 2 1
K2 =es la relacin del vapor y el lquido en el equilibrio se pueden calcular mediante =
++
= 10
(6 32)
1 1 + 2 2 = 1
(6 33)
Considere una mezcla binaria de benceno (componente 1) y tolueno (componente 2) como ideal.
Las constantes de la ecuacin de Antoine para el benceno son = A1=6.90565, B1= -1211.033 y
C1=220,79. Para el tolueno A2=6.95464, B2= -1344.8 y C2= 219.482.
Problema
La destilacin por lotes de la mezcla del benceno y del tolueno, se lleva a cabo a una presin de
1.2 atm. Inicialmente hay 100 moles de lquido en el matraz de destilacin, formados por 60% de
benceno y 40% de tolueno. Calcule la cantidad de lquido que quedara en el matraz de destilacin
cuando la concentracin de tolueno sea del 80%.
Resolucin
= 1 1 1 2 2
=
2
6 34
(6 35)
APLICACIN DE POLYMATH
POLYMATH Report
Ordinary Differential Equations
Variable
Initial value
Minimal value
Maximal value
Final value
x2
0.4
0.4
0.8
0.8
100.
14.04555
100.
14.04555
95.5851
95.5851
108.5693
108.5693
Kc
5.0E+05
5.0E+05
5.0E+05
5.0E+05
k2
0.5325348
0.5325348
0.7857526
0.7857526
x1
0.6
0.2
0.6
0.2
k1
1.311644
1.311644
1.856602
1.856602
err
-3.646E-07
-3.646E-07
7.75E-05
7.747E-05
Differential equations
d(T)/d(x2) = Kc * err
Explicit equations
Kc = 0.5e6
x1 = 1 - x2
err = (1 - k1 * x1 - k2 * x2)
2
= 2
(6 37)
0 1 =
(6 41)
=0
Donde h es el coeficiente de transferencia de calor por conveccin, expresado en W/m2*K y T0
es la temperatura ambiente.
Problema
Resuelva numricamente la Ecuacin 6.37 con las condiciones iniciales y frontera de 6.38, 6.39
y 6.40, para el caso en el que = 2x 10+5 m2/s y la superficie de la losa se mantiene constante
a T1 = 0 C. Represente grficamente las temperaturas T2, T3, T4 y T5 en funcin del tiempo
hasta 6000 s.
APLICACIN DE POLYMATH
POLYMATH Report
Ordinary Differential Equations
Variable
Initial value
Minimal value
Maximal value
Final value
6000.
6000.
T2
100.
16.19188
100.
16.19188
T3
100.
31.71003
100.
31.71003
T4
100.
45.96068
100.
45.96068
T5
100.
58.4923
100.
58.4923
T6
100.
69.02746
100.
69.02746
T7
100.
77.4599
100.
77.4599
T8
100.
83.82043
100.
83.82043
T9
100.
88.22268
100.
88.22268
10
T10
100.
90.80213
100.
90.80213
11
alpha
2.0E-05
2.0E-05
2.0E-05
2.0E-05
12
deltax
0.1
0.1
0.1
0.1
13
T1
14
T11
100.
91.66194
100.0035
91.66194
Differential equations
Explicit equations
alpha = 2.e-5
deltax = .10
T1 = 0
POLYMATH Report
Ordinary Differential Equations
Calculated
values of DEQ
variables
Variable
Initial value
Minimal value
Maximal value
Final value
6000.
6000.
T2
100.
8.128488
100.
8.128488
T3
100.
16.17181
100.
16.17181
T4
100.
24.04734
100.
24.04734
T5
100.
31.67745
100.
31.67745
T6
100.
38.9916
100.
38.9916
T7
100.
45.9281
100.
45.9281
T8
100.
52.43541
100.
52.43541
T9
100.
58.47289
100.
58.47289
10
T10
100.
64.01098
100.
64.01098
11
T11
100.
69.03088
100.
69.03088
12
T12
100.
73.52373
100.
73.52373
13
T13
100.
77.48935
100.
77.48935
14
T14
100.
80.9347
100.
80.9347
15
T15
100.
83.87205
100.
83.87205
16
T16
100.
86.31707
100.
86.31707
17
T17
100.
88.28695
100.
88.28695
18
T20
100.
91.50333
100.
91.50333
19
T19
100.
90.8668
100.
90.8668
20
T18
100.
89.79855
100.
89.79855
21
alpha
2.0E-05
2.0E-05
2.0E-05
2.0E-05
22
deltax
0.05
0.05
0.05
0.05
23
T1
Differential equations
Explicit equations
10
11
12
13
14
15
16
17
18
19
alpha = 2.e-5
deltax = .05
T1 = 0
POLYMATH Report
Ordinary Differential Equations
Variable
Initial value
Minimal value
Maximal value
Final value
1500.
1500.
T2
100.
78.38455
100.
78.38455
T3
100.
88.13489
100.
88.13489
T4
100.
94.12908
100.
94.12908
T5
100.
97.3809
100.
97.3809
T6
100.
98.94402
100.
98.94402
T7
100.
99.61376
100.
99.61376
T8
100.
99.87132
100.
99.87132
T9
100.
99.96098
100.
99.96098
10
T10
100.
99.98987
100.
99.98987
11
alpha
2.0E-05
2.0E-05
2.0E-05
2.0E-05
12
deltax
0.1
0.1
0.1
0.1
13
T11
100.
99.9995
100.0008
99.9995
14
25.
25.
25.
25.
15
T0
16
10.
10.
10.
10.
17
T1
85.71429
64.40094
85.71429
64.40094
Differential equations
Explicit equations
alpha = 2.e-5
deltax = .10
h = 25.
T0 = 0
k = 10.
POLYMATH Report
Ordinary Differential Equations
Calculated
values of
DEQ
variables
Variable
Initial value
Minimal value
Maximal value
Final value
1500.
1500.
T2
100.
72.57457
100.
72.57457
T3
100.
79.06716
100.
79.06716
T4
100.
84.45161
100.
84.45161
T5
100.
88.77182
100.
88.77182
T6
100.
92.12326
100.
92.12326
T7
100.
94.63579
100.
94.63579
T8
100.
96.45551
100.
96.45551
T9
100.
97.72849
100.
97.72849
10
T10
100.
98.58857
100.
98.58857
11
T11
100.
99.14981
100.
99.14981
12
T12
100.
99.50359
100.
99.50359
13
T13
100.
99.71904
100.
99.71904
14
T14
100.
99.84585
100.
99.84585
15
T15
100.
99.918
100.
99.918
16
T16
100.
99.95769
100.
99.95769
17
T17
100.
99.97882
100.
99.97882
18
T20
100.
99.9975
100.
99.9975
19
T19
100.
99.99505
100.
99.99505
20
T18
100.
99.98968
100.
99.98968
21
alpha
2.0E-05
2.0E-05
2.0E-05
2.0E-05
22
deltax
0.05
0.05
0.05
0.05
23
T21
100.
99.99832
100.
99.99832
24
25.
25.
25.
25.
25
T0
26
10.
10.
10.
10.
27
T1
92.30769
64.99419
92.30769
64.99419
Differential equations
10
11
12
13
14
15
16
17
18
19
Explicit equations
alpha = 2.e-5
deltax = .05
h = 25
T0 = 0
k = 10
2
Donde y1 es la concentracin de las clulas expresada como porcentaje en masa (en seco).
Por otro lado, la velocidad de produccin de la penicilina se ha cuantificado matemticamente
mediante la siguiente ecuacin, donde y1 es la unidad de penicilina por mL.
2
= 3 1 4 2
(6 50)
Problema
a) Utilice datos experimentales de la tabla 6.22, para encontrar los valores de los parmetros b1,
b2, b3 y b4 que minimizan la suma de los cuadrados de las diferencias entre las concentraciones
calculadas y experimentales (y1 e y2) para todos los datos. Se pueden utilizar las siguientes
suposiciones iniciales b1 = 0.1, b2 = 4.0, b3 = 0.02 y b4 = 0.02
Concentracin de clulas
porcentaje en peso seco y1
0.18
0.12
0.48
1.46
1.56
1.73
1.99
2.62
2.88
3.43
3.37
3.92
3.96
3.58
3.58
3.34
3.47
Concentracin de penicilina
unidades/mL. y1
0
0
0.0089
0.0642
0.2266
0.4373
0.6943
1.2459
1.4215
2.0402
1.9278
2.1848
2.4204
2.4615
2.283
2.7078
2.6542
APLICACIN DE POLYMATH
POLYMATH Report
Ordinary Differential Equations
Calculated values of
DEQ variables
Variable
Initial value
Minimal value
Maximal value
Final value
190.
190.
y1
0.18
0.18
4.
4.
y2
3.823093
3.823093
b1
0.1
0.1
0.1
0.1
b2
4.
4.
4.
4.
b3
0.02
0.02
0.02
0.02
b4
0.02
0.02
0.02
0.02
Differential equations
Explicit equations
d(y1)/d(t) = b1 * y1 * (1 - y1 / b2)
d(y2)/d(t) = b3 * y1 - b4 * y2
1 b1 = 0.0.049875
2 b2 = 3.6349
3 b3 = 0.020459
4 b4 = 0.02652
General
Total number of equations
Number of differential equations
Number of explicit equations
Elapsed time
Solution method
Step size guess. h
Truncation error tolerance. eps
6
2
4
0.000 sec
RKF_45
0.000001
0.000001