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Example 6.

POLYMATH DEQ Migration Document


Variable Value Polymath Equation Comments

Explicit Eqs Cao 0.4 Cao=0.4


k1 0.0001 k1=0.0001
k2 0.0015 k2=0.0015
k3 0.006 k3=0.006
Integration Vars Ca 0.112 Ca(0)=0.112
Cx 0.0783 Cx(0)=0.0783
Cb 0.132 Cb(0)=0.132
Cy 0.0786 Cy(0)=0.0786
ODE Eqs d(Ca)/d(tau) -0.000343264 d(Ca)/d(tau) = -k1-k2*Ca-k3*Ca^2
d(Cx)/d(tau) 0.0001 d(Cx)/d(tau) = k1
d(Cb)/d(tau) 0.000168 d(Cb)/d(tau) = k2*Ca

d(Cy)/d(tau) 0.000075264 d(Cy)/d(tau) = k3*Ca^2

Indep Var tau 0 tau(0)=0 ; tau(f)=300


Differential equations Calculated values of DEQ variables
d(Ca)/d(tau) = -k1- Initial Minimal Maximal Final
1 Variable
k2*Ca-k3*Ca^2 value value value value
2 d(Cx)/d(tau) = k1 1 Ca 0.112 0.039758 0.112 0.039758
3 d(Cb)/d(tau) = k2*Ca 2 Cao 0.4 0.4 0.4 0.4
4 d(Cy)/d(tau) = k3*Ca^2 3 Cb 0.132 0.132 0.164236 0.164236
4 Cx 0.0783 0.0783 0.1083 0.1083
Explicit equations 5 Cy 0.0786 0.0786 0.088606 0.088606
1 Cao = 0.4 6 k1 0.0001 0.0001 0.0001 0.0001
2 k1 = 0.0001 7 k2 0.0015 0.0015 0.0015 0.0015
3 k2 = 0.0015 8 k3 0.006 0.006 0.006 0.006
4 k3 = 0.006 9 tau 0 0 300 300
General
Total number of
8
equations

Number of
4
differential equations

Number of explicit
4
equations
Elapsed time 0.000 sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error
0.000001
tolerance. eps
Example 6-9 (MR)

POLYMATH DEQ Migration Document


Variable Value Polymath Equation Comments Differential equations
Explicit Eqs Ft 4 Ft=Fa+Fb+Fd+Fu 1
Cto 0.8 Cto=0.8 2
k1a 2 k1a=2 3
k2a 3 k2a=3 4
Cb 0 Cb=Cto*Fb/Ft
Ca 0.8 Ca=Cto*Fa/Ft Explicit equations
ra 0 ra=-k1a*Ca^2*Cb-k2a*Ca*Cb^2 1
rb 0 rb=ra 2
Cd 0 Cd=Cto*Fd/Ft 3
Cu 0 Cu=Cto*Fu/Ft 4
rd 0 rd=k1a*Ca^2*Cb 5
ru 0 ru=k2a*Ca*Cb^2 6
Vto 50 Vto=50 7
Fbo 4 Fbo=4 8
Rb 0.08 Rb=Fbo/Vto 9
Sdu 0 Sdu=Fd/(Fu+0.0001) 10
Integration Vars Fa 4 Fa(0)=4 11
Fb 0 Fb(0)=0 12
Fd 0 Fd(0)=0 13
Fu 0 Fu(0)=0 14
ODE Eqs d(Fa)/d(V) 0 d(Fa)/d(V) = ra 15
d(Fb)/d(V) 0.08 d(Fb)/d(V) = rb+Rb 16
d(Fd)/d(V) 0 d(Fd)/d(V) = rd General
Total number of equations
d(Fu)/d(V) 0 d(Fu)/d(V) = ru
Number of differential
Indep Var V 0 V(0)=0 ; V(f)=50 equations

Number of explicit equations

Elapsed time
Solution method
Step size guess. h
Truncation error tolerance.
eps
Calculated values of DEQ variables
Minimal Maximal Final
Variable Initial value
al equations value value value
d(Fa)/d(V) = ra 1 Ca 0.8 0.2020242 0.8 0.202024
d(Fb)/d(V) = rb+Rb 2 Cb 0 0 0.202024 0.202024
d(Fd)/d(V) = rd 3 Cd 0 0 0.28553 0.28553
d(Fu)/d(V) = ru 4 Cto 0.8 0.8 0.8 0.8
5 Cu 0 0 0.110421 0.110421
6 Fa 4 1.351387 4 1.351387
Ft = Fa+Fb+Fd+Fu 7 Fb 0 0 1.351387 1.351387
Cto = 0.8 8 Fbo 4 4 4 4
k1a = 2 9 Fd 0 0 1.909979 1.909979
k2a = 3 10 Ft 4 4 5.351387 5.351387
Cb = Cto*Fb/Ft 11 Fu 0 0 0.738634 0.738634
Ca = Cto*Fa/Ft 12 k1a 2 2 2 2
ra = -k1a*Ca^2*Cb-k2a*Ca*Cb^2 13 k2a 3 3 3 3
rb = ra 14 ra 0 -0.0635327 0 -0.041227
Cd = Cto*Fd/Ft 15 rb 0 -0.0635327 0 -0.041227
Cu = Cto*Fu/Ft 16 Rb 0.08 0.08 0.08 0.08
rd = k1a*Ca^2*Cb 17 rd 0 0 0.054422 0.016491
ru = k2a*Ca*Cb^2 18 ru 0 0 0.024736 0.024736
Vto = 50 19 Sdu 0 0 34.66223 2.585477
Fbo = 4 20 V 0 0 50 50
Rb = Fbo/Vto 21 Vto 50 50 50 50
Sdu = Fd/(Fu+0.0001)

20

16

0.000 sec
RKF_45
0.000001
0.000001
Example 6.9 (PFR)

POLYMATH DEQ Migration Document


Variable Value Polymath Equation Comments
Explicit Eqs Ft 8 Ft=Fa+Fb+Fd+Fu
Cto 0.8 Cto=0.8
k1a 2 k1a=2
k2a 3 k2a=3
Cb 0.4 Cb=Cto*Fb/Ft
Ca 0.4 Ca=Cto*Fa/Ft
ra -0.32 ra=-k1a*Ca^2*Cb-k2a*Ca*Cb^2
rb -0.32 rb=ra
Cd 0 Cd=Cto*Fd/Ft
Cu 0 Cu=Cto*Fu/Ft
rd 0.128 rd=k1a*Ca^2*Cb
ru 0.192 ru=k2a*Ca*Cb^2

Vto 50 Vto=50
Fbo 4 Fbo=4
Sdu 0 Sdu=Fd/(Fu+0.0001)
Rb 0 Rb=0
Integration Vars Fa 4 Fa(0)=4
Fb 4 Fb(0)=4
Fd 0 Fd(0)=0
Fu 0 Fu(0)=0
ODE Eqs d(Fa)/d(V) -0.32 d(Fa)/d(V) = ra
d(Fb)/d(V) -0.32 d(Fb)/d(V) = rb+Rb
d(Fd)/d(V) 0.128 d(Fd)/d(V) = rd

d(Fu)/d(V) 0.192 d(Fu)/d(V) = ru

Indep Var V 0 V(0)=0 ; V(f)=50


Calculated values of DEQ variables
Initial Minimal Maximal Final
Variable
Differential equations value value value value
1 d(Fa)/d(V) = ra 1 Ca 0.4 0.127575 0.4 0.127575
2 d(Fb)/d(V) = rb+Rb 2 Cb 0.4 0.127575 0.4 0.127575
3 d(Fd)/d(V) = rd 3 Cd 0 0 0.21794 0.21794
4 d(Fu)/d(V) = ru 4 Cto 0.8 0.8 0.8 0.8
5 Cu 0 0 0.32691 0.32691
Explicit equations 6 Fa 4 0.758896 4 0.758896
1 Ft = Fa+Fb+Fd+Fu 7 Fb 4 0.758896 4 0.758896
2 Cto = 0.8 8 Fbo 4 4 4 4
3 k1a = 2 9 Fd 0 0 1.296441 1.296441
4 k2a = 3 10 Ft 8 4.758896 8 4.758896
5 Cb = Cto*Fb/Ft 11 Fu 0 0 1.944662 1.944662
6 Ca = Cto*Fa/Ft 12 k1a 2 2 2 2
ra = -k1a*Ca^2*Cb-
7 13 k2a 3 3 3 3
k2a*Ca*Cb^2
8 rb = ra 14 ra -0.32 -0.32 -0.010382 -0.010382
9 Cd = Cto*Fd/Ft 15 rb -0.32 -0.32 -0.010382 -0.010382
10 Cu = Cto*Fu/Ft 16 Rb 0 0 0 0
11 rd = k1a*Ca^2*Cb 17 rd 0.128 0.004153 0.128 0.004153
12 ru = k2a*Ca*Cb^2 18 ru 0.192 0.006229 0.192 0.006229
13 Vto = 50 19 Sdu 0 0 0.666632 0.666632
14 Fbo = 4 20 V 0 0 50 50
15 Sdu = Fd/(Fu+0.0001) 21 Vto 50 50 50 50
16 Rb = 0
General
Total number of
20
equations
Number of differential
4
equations
Number of explicit
16
equations
Elapsed time 1.157 sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error
0.000001
tolerance. eps
Example 6.10

POLYMATH DEQ Migration Document


Variable Value Polymath Equation Comments
Explicit Eqs Ft 20 Ft=FA+FB+FC+FD+FE+FF
r1A -5 r1A=-5*8*(FA/Ft)*(FB/Ft)^2
r2A -2 r2A=-2*4*(FA/Ft)*(FB/Ft)
r4C 0 r4C=-5*3.175*(FC/Ft)*(FA/Ft)^(2/3)
r3B 0 r3B=-10*8*(FC/Ft)^2*(FB/Ft)
CA 1 CA=2*FA/Ft
rA -7 rA=r1A+r2A+2*r4C/3

rB -7.75 rB=1.25*r1A+0.75*r2A+r3B

rC 5 rC=-r1A+2*r3B+r4C

rD 10.5 rD=-1.5*r1A-1.5*r2A-r4C

rE 1 rE=-0.5*r2A-5*r4C/6

rF 0 rF=-2*r3B
Integration Vars FA 10 FA(0)=10
FB 10 FB(0)=10

FC 0 FC(0)=0
FD 0 FD(0)=0

FE 0 FE(0)=0
FF 0 FF(0)=0
ODE Eqs d(FA)/d(V) -7 d(FA)/d(V) = rA
d(FB)/d(V) -7.75 d(FB)/d(V) = rB

d(FC)/d(V) 5 d(FC)/d(V) = rC

d(FD)/d(V) 10.5 d(FD)/d(V) = rD

d(FE)/d(V) 1 d(FE)/d(V) = rE
d(FF)/d(V) 0 d(FF)/d(V) = rF
Indep Var V 0 V(0)=0 ; V(f)=10
Differential equations Calculated values of DEQ variables
Initial Minimal Maximal
1 d(FA)/d(V) = rA Variable
value value value
2 d(FB)/d(V) = rB 1 CA 1 0.138877 1
3 d(FC)/d(V) = rC 2 FA 10 1.504099 10
4 d(FD)/d(V) = rD 3 FB 10 2.400078 10
5 d(FE)/d(V) = rE 4 FC 0 0 1.65195
6 d(FF)/d(V) = rF 5 FD 0 0 12.74385
6 FE 0 0 3.483002
Explicit equations 7 FF 0 0 0.926096
1 Ft = FA+FB+FC+FD+FE+FF 8 Ft 20 20 21.66093

2 r1A = -5*8*(FA/Ft)*(FB/Ft)^2 9 r1A -5 -5 -0.0341

3 r2A = -2*4*(FA/Ft)*(FB/Ft) 10 r2A -2 -2 -0.061551

r4C =
4 11 r3B 0 -0.145047 0
-5*3.175*(FC/Ft)*(FA/Ft)^(2/3)

5 r3B = -10*8*(FC/Ft)^2*(FB/Ft) 12 r4C 0 -0.562224 0

6 CA = 2*FA/Ft 13 rA -7 -7 -0.145491
7 rA = r1A+r2A+2*r4C/3 14 rB -7.75 -7.75 -0.095676

8 rB = 1.25*r1A+0.75*r2A+r3B 15 rC 5 -0.200772 5

9 rC = -r1A+2*r3B+r4C 16 rD 10.5 0.218236 10.5


10 rD = -1.5*r1A-1.5*r2A-r4C 17 rE 1 0.093075 1.030979
11 rE = -0.5*r2A-5*r4C/6 18 rF 0 0 0.290094
12 rF = -2*r3B 19 V 0 0 10
General
Total number of
18
equations
Number of differential
6
equations
Number of explicit
12
equations
Elapsed time 0.000 sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error
0.000001
tolerance. eps
Final
value
0.138877
1.504099
2.400078
0.603802
12.74385
3.483002
0.926096
21.66093

-0.0341

-0.061551

-0.006888

-0.074759

-0.145491
-0.095676

-0.054434

0.218236
0.093075
0.013775
10
Q #2 (a)

POLYMATH DEQ Migration Document


Variable Value Polymath Equation Comments

Explicit Eqs Finert 0.007626 Finert=0.007626

Ft 0.0093001 Ft=Fe+Fo+Fd+Fu1+Fu2+Finert
k1 6.5 k1=6.5
k2 4.33 k2=4.33
Pto 2 Pto=2
Pe 0.1199987097 Pe=Pto*(Fe/Ft)
Po 0.2399974194 Po=Pto*(Fo/Ft)
X 0 X=1-(Fe/0.000558)

S 0 S=Fd/Fu1
r1e -0.1075904769 r1e=-k1*Pe*Po^0.58/(1+k1*Pe)^2
r2e -0.139833519 r2e=-k2*Pe*Po^(1/3)/(1+k2*Pe)^2
Integration Vars Fe 0.000558 Fe(0)=0.000558
Fo 0.001116 Fo(0)=0.001116
Fd 0 Fd(0)=0
Fu1 0.0000001 Fu1(0)=0.0000001
Fu2 0 Fu2(0)=0

ODE Eqs d(Fe)/d(W) -0.2474239959 d(Fe)/d(W) = r1e+r2e

d(Fo)/d(W) -0.4732957953 d(Fo)/d(W) = (1/2*r1e)+3*r2e


d(Fd)/d(W) 0.1075904769 d(Fd)/d(W) = -r1e

d(Fu1)/d(W) 0.2796670379 d(Fu1)/d(W) = -2*r2e

d(Fu2)/d(W) 0.2796670379 d(Fu2)/d(W) = -2*r2e

Indep Var W 0 W(0)=0 ; W(f)=2


Differential equations Calculated values of DEQ variables
Initial Minimal
1 d(Fe)/d(W) = r1e+r2e Variable
value value
2 d(Fo)/d(W) = (1/2*r1e)+3*r2e 1 Fd 0 0
3 d(Fd)/d(W) = -r1e 2 Fe 0.000558 -3.55E-16
4 d(Fu1)/d(W) = -2*r2e 3 Finert 0.007626 0.007626
5 d(Fu2)/d(W) = -2*r2e 4 Fo 0.001116 1.87E-05
5 Ft 0.0093001 0.0091848
Explicit equations 6 Fu1 1.00E-07 1.00E-07
1 Finert = 0.007626 7 Fu2 0 0
Ft =
2 8 k1 6.5 6.5
Fe+Fo+Fd+Fu1+Fu2+Finert
3 k1 = 6.5 9 k2 4.33 4.33
4 k2 = 4.33 10 Pe 0.1199987 -7.73E-14
5 Pto = 2 11 Po 0.2399974 0.0040646
6 Pe = Pto*(Fe/Ft) 12 Pto 2 2
7 Po = Pto*(Fo/Ft) 13 r1e -0.1075905 -0.1075905
8 X = 1-(Fe/0.000558) 14 r2e -0.1398335 -0.1398335
9 S = Fd/Fu1 15 S 0 0
r1e = -k1*Pe*Po^0.58/
10 16 W 0 0
(1+k1*Pe)^2
r2e = -k2*Pe*Po^(1/3)/
11 17 X 0 0
(1+k2*Pe)^2
General
Total number of
16
equations

Number of differential
5
equations

Number of explicit
11
equations
Elapsed time 0.000 sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error
0.000001
tolerance. eps
Maximal Final
value value
0.000231 0.000231
0.000558 -1.18E-43
0.007626 0.007626
0.001116 1.87E-05
0.0093 0.009185
0.000655 0.000655
0.000655 0.000655
6.5 6.5
4.33 4.33
0.119999 -2.57E-41
0.239997 0.004065
2 2
2.06E-14 6.84E-42
5.34E-14 1.77E-41
0.352292 0.352288
2 2

1 1
Q #3 (i)

POLYMATH DEQ Migration Document


Variable Value Polymath Equation Comments
Explicit Eqs k2D 0.4 k2D=0.4
K1C 0.2 K1C=0.2
Ft 10 Ft=Fa+Fb+Fc+Fd+Fe
Cto 0.6 Cto=0.6
Cb 0 Cb=Cto*(Fb/Ft)*y
Ca 0.6 Ca=Cto*(Fa/Ft)*y
Cd 0 Cd=Cto*(Fd/Ft)*y
Cc 0 Cc=Cto*(Fc/Ft)*y
kB 1 kB=1
k1C 2 k1C=2
r2D 0.24 r2D=k2D*Ca
k3E 5 k3E=5
r1C 1.2 r1C=k1C*(Ca-(Cb*Cc/K1C))
rA -1.44 rA=-r1C-r2D
r3E 0 r3E=k3E*(Cc^2)*Cd
rD 0.24 rD=r2D-(r3E/2)
rB 1.2 rB=r1C
rC 1.2 rC=r1C-r3E
rE 0 rE=r3E
Ce 0 Ce=Cto*(Fe/Ft)*y
alfa 0.008 alfa=0.008
Fto 10 Fto=10
Integration Vars Fa 10 Fa(0)=10
Fb 0 Fb(0)=0
Fc 0 Fc(0)=0
Fd 0 Fd(0)=0
Fe 0 Fe(0)=0
y 1 y(0)=1
ODE Eqs d(Fa)/d(W) -1.44 d(Fa)/d(W) = rA
d(Fb)/d(W) 1.2 d(Fb)/d(W) = rB-(kB*Cb)
d(Fc)/d(W) 1.2 d(Fc)/d(W) = rC

d(Fd)/d(W) 0.24 d(Fd)/d(W) = rD

d(Fe)/d(W) 0 d(Fe)/d(W) = rE

d(y)/d(W) -0.004 d(y)/d(W) = -alfa*Ft/(2*Fto*y)


Indep Var W 0 W(0)=0 ; W(f)=100
Calculated values of DEQ variables
Initial Minimal Maximal
Variable
value value value
Differential equations 1 alfa 0.008 0.008 0.008
1 d(Fa)/d(W) = rA 2 Ca 0.6 0.007316 0.6
2 d(Fb)/d(W) = rB-(kB*Cb) 3 Cb 0 0 0.140361
3 d(Fc)/d(W) = rC 4 Cc 0 0 0.21172
4 d(Fd)/d(W) = rD 5 Cd 0 0 0.101961
5 d(Fe)/d(W) = rE 6 Ce 0 0 0.039881
6 d(y)/d(W) = -alfa*Ft/(2*Fto*y) 7 Cto 0.6 0.6 0.6
8 Fa 10 0.349438 10
Explicit equations 9 Fb 0 0 3.237542
1 k2D = 0.4 10 Fc 0 0 4.987302
2 K1C = 0.2 11 Fd 0 0 2.730488
3 Ft = Fa+Fb+Fc+Fd+Fe 12 Fe 0 0 1.372248
4 Cto = 0.6 13 Ft 10 9.758191 13.2205
5 Cb = Cto*(Fb/Ft)*y 14 Fto 10 10 10
6 Ca = Cto*(Fa/Ft)*y 15 k1C 2 2 2
7 Cd = Cto*(Fd/Ft)*y 16 K1C 0.2 0.2 0.2
8 Cc = Cto*(Fc/Ft)*y 17 k2D 0.4 0.4 0.4
9 kB = 1 18 k3E 5 5 5
10 k1C = 2 19 kB 1 1 1
11 r2D = k2D*Ca 20 r1C 1.2 0.005164 1.2
12 k3E = 5 21 r2D 0.24 0.002926 0.24
13 r1C = k1C*(Ca-(Cb*Cc/K1C)) 22 r3E 0 0 0.021684
14 rA = -r1C-r2D 23 rA -1.44 -1.44 -0.00809
15 r3E = k3E*(Cc^2)*Cd 24 rB 1.2 0.005164 1.2
16 rD = r2D-(r3E/2) 25 rC 1.2 -0.004261 1.2
17 rB = r1C 26 rD 0.24 0.001446 0.24
18 rC = r1C-r3E 27 rE 0 0 0.021684
19 rE = r3E 28 W 0 0 100
20 Ce = Cto*(Fe/Ft)*y 29 y 1 0.340495 1
21 alfa = 0.008
22 Fto = 10
General
Total number of
3
equations
Number of differential
6
equations
Number of explicit
22
equations
Elapsed time 0.000 sec
Solution method RKF_45
Step size guess. h 0.000001
Truncation error
0.000001
tolerance. eps
Final
value
0.008
0.007316
0.009302
0.101784
0.057165
0.028729
0.6
0.349438
0.444315
4.861703
2.730488
1.372248
9.758191
10
2
0.2
0.4
5
1
0.005164
0.002926
0.002961
-0.00809
0.005164
0.002202
0.001446
0.002961
100
0.340495