Diels-Alder Reaction Experimental Design (VPLAN): Difference between revisions
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This is a [[:Category:VPLAN |VPLAN]] implementation for the [[Diels-Alder Reaction Experimental Design]] problem. | |||
Differential equations: | Differential equations: | ||
| Line 101: | Line 100: | ||
Measurement function: | |||
<source lang="fortran"> | <source lang="fortran"> | ||
| Line 133: | Line 132: | ||
</source> | </source> | ||
Standard deviation of measurement function: | |||
<source lang="fortran"> | |||
c Standardabweichung der Messfunktion | |||
subroutine sigma3( t, x, s, p, q, rwh, iwh, iflag ) | |||
implicit none | |||
real*8 rwh(*) | |||
integer*4 iwh(*), iflag | |||
real*8 t, x(*), p(*), q(*) | |||
real*8 s | |||
real*8 h | |||
s = 1.0d+0 | |||
iflag = 0 | |||
end | |||
</source> | |||
VPLAN specific experimental setup: | |||
Experiment 1 | |||
<source lang="optimica"> | |||
[Flags] | |||
switch=1 | |||
[Kosten] | |||
costs=0 -1e+10 1e+10 | |||
[Integrationsintervall] | |||
t0=0 | |||
tend=10 | |||
[Modellfunktionen] | |||
ffcn=ffcn | |||
gfcn=gfcn | |||
[Zustandsvariablen] | |||
yAnzahl=4 | |||
y1=n1 na1 -1e+10 1e+10 | |||
y2=n2 na2 -1e+10 1e+10 | |||
y3=n3 0 -1e+10 1e+10 | |||
y4=n4 na4 -1e+10 1e+10 | |||
zAnzahl=0 | |||
[Mehrzielknoten] | |||
tAnzahl=0 | |||
t1=0 | |||
t2=0.33 | |||
t3=0.66 | |||
t4=1 | |||
t5=1.33 | |||
t6=1.66 | |||
t7=2 | |||
t8=2.33 | |||
t9=2.66 | |||
t10=3 | |||
t11=3.33 | |||
t12=3.66 | |||
t13=4 | |||
t14=4.33 | |||
t15=4.66 | |||
t16=5 | |||
t17=6 | |||
t18=7 | |||
t19=9 | |||
t20=10 | |||
[DynamischeNebenbedingungen] | |||
bAnzahl=0 | |||
[GitterUeberpruefungNebenbedingungen] | |||
tAnzahl=0 | |||
[Steuergroessen] | |||
qAnzahl=4 | |||
q1=na1 1.0 0 10 0 -1 | |||
q2=na2 1.0 0 10 0 -1 | |||
q3=na4 2.0 0.4 9 0 -1 | |||
q4=Ckat 0.0 0 6 0 -1 | |||
[Steuerfunktionen] | |||
uAnzahl=1 | |||
u1=Tc 3 20 100 | |||
u1tAnzahl=3 | |||
u1t0=t0 | |||
u1t1q=20 20 100 0 0 0 | |||
u1t1=2 | |||
u1t2q=20 20 100 0.0 -1e+10 1e+10 | |||
u1t2=8 | |||
u1t3q=20 20 100 0 0 0 | |||
u1t3=tend | |||
[NebenbedingungenSteuergroessen] | |||
cAnzahl=2 | |||
c1=cfcn1 1 | |||
c1bnd1=0.1 0.7 | |||
c2=cfcn2 1 | |||
c2bnd1=0.1 10 | |||
[Messverfahren] | |||
mAnzahl=1 | |||
m1=mfcn1 1 0 1e+10 0 | |||
m1f1=mess3 sigma3 1 | |||
mminmaxges=0 6 | |||
[Messungen] | |||
tAnzahl=20 | |||
t1=0.33 | |||
t1Anzahl=1 | |||
t1m1=mfcn1 0.3 1e-06 1 | |||
t1minmax=0 1e+10 | |||
t2=0.66 | |||
t2Anzahl=1 | |||
t2m1=mfcn1 0.3 1e-06 1 | |||
t2minmax=0 1e+10 | |||
t3=1 | |||
t3Anzahl=1 | |||
t3m1=mfcn1 0.3 1e-06 1 | |||
t3minmax=0 1e+10 | |||
t4=1.33 | |||
t4Anzahl=1 | |||
t4m1=mfcn1 0.3 1e-06 1 | |||
t4minmax=0 1e+10 | |||
t5=1.66 | |||
t5Anzahl=1 | |||
t5m1=mfcn1 0.3 1e-06 1 | |||
t5minmax=0 1e+10 | |||
t6=2 | |||
t6Anzahl=1 | |||
t6m1=mfcn1 0.3 1e-06 1 | |||
t6minmax=0 1e+10 | |||
t7=2.33 | |||
t7Anzahl=1 | |||
t7m1=mfcn1 0.3 1e-06 1 | |||
t7minmax=0 1e+10 | |||
t8=2.66 | |||
t8Anzahl=1 | |||
t8m1=mfcn1 0.3 1e-06 1 | |||
t8minmax=0 1e+10 | |||
t9=3 | |||
t9Anzahl=1 | |||
t9m1=mfcn1 0.3 1e-06 1 | |||
t9minmax=0 1e+10 | |||
t10=3.33 | |||
t10Anzahl=1 | |||
t10m1=mfcn1 0.3 1e-06 1 | |||
t10minmax=0 1e+10 | |||
t11=3.66 | |||
t11Anzahl=1 | |||
t11m1=mfcn1 0.3 1e-06 1 | |||
t11minmax=0 1e+10 | |||
t12=4 | |||
t12Anzahl=1 | |||
t12m1=mfcn1 0.3 1e-06 1 | |||
t12minmax=0 1e+10 | |||
t13=4.33 | |||
t13Anzahl=1 | |||
t13m1=mfcn1 0.3 1e-06 1 | |||
t13minmax=0 1e+10 | |||
t14=4.66 | |||
t14Anzahl=1 | |||
t14m1=mfcn1 0.3 1e-06 1 | |||
t14minmax=0 1e+10 | |||
t15=5 | |||
t15Anzahl=1 | |||
t15m1=mfcn1 0.3 1e-06 1 | |||
t15minmax=0 1e+10 | |||
t16=6 | |||
t16Anzahl=1 | |||
t16m1=mfcn1 0.3 1e-06 1 | |||
t16minmax=0 1e+10 | |||
t17=7 | |||
t17Anzahl=1 | |||
t17m1=mfcn1 0.3 1e-06 1 | |||
t17minmax=0 1e+10 | |||
t18=8 | |||
t18Anzahl=1 | |||
t18m1=mfcn1 0.3 1e-06 1 | |||
t18minmax=0 1e+10 | |||
t19=9 | |||
t19Anzahl=1 | |||
t19m1=mfcn1 0.3 1e-06 1 | |||
t19minmax=0 1e+10 | |||
t20=10 | |||
t20Anzahl=1 | |||
t20m1=mfcn1 0.3 1e-06 1 | |||
t20minmax=0 1e+10 | |||
[OptionenIntegration] | |||
teps=1e-08 | |||
rtol=1e-08 | |||
atol=1e-07 | |||
stepsize=0.0001 | |||
maxorder=6 | |||
maxstepnumber=4000 | |||
minstepsize=-1 | |||
maxstepsize=-1 | |||
maxitNewton=3 | |||
noerrorcontrol=0 | |||
realworkspace=170000 | |||
integerworkspace=500 | |||
printlevel=0 | |||
mcnonlinearflag=0 | |||
mcDAEflag=0 | |||
mctol=1e-07 | |||
mcmaxit=50 | |||
mclinesearch=1 | |||
mcalpha0=1 | |||
rndmethod=-1 | |||
rndeps=1e-05 | |||
rndverbose=0 | |||
</source> | |||
Experiment 2 | |||
<source lang="optimica"> | |||
[Flags] | |||
switch=1 | |||
[Kosten] | |||
costs=0 -1e+10 1e+10 | |||
[Integrationsintervall] | |||
t0=0 | |||
tend=10 | |||
[Modellfunktionen] | |||
ffcn=ffcn | |||
gfcn=gfcn | |||
[Zustandsvariablen] | |||
yAnzahl=4 | |||
y1=n1 na1 -1e+10 1e+10 | |||
y2=n2 na2 -1e+10 1e+10 | |||
y3=n3 0 -1e+10 1e+10 | |||
y4=n4 na4 -1e+10 1e+10 | |||
zAnzahl=0 | |||
[Mehrzielknoten] | |||
tAnzahl=0 | |||
t1=0 | |||
t2=0.33 | |||
t3=0.66 | |||
t4=1 | |||
t5=1.33 | |||
t6=1.66 | |||
t7=2 | |||
t8=2.33 | |||
t9=2.66 | |||
t10=3 | |||
t11=3.33 | |||
t12=3.66 | |||
t13=4 | |||
t14=4.33 | |||
t15=4.66 | |||
t16=5 | |||
t17=6 | |||
t18=7 | |||
t19=9 | |||
t20=10 | |||
[DynamischeNebenbedingungen] | |||
bAnzahl=0 | |||
[GitterUeberpruefungNebenbedingungen] | |||
tAnzahl=0 | |||
[Steuergroessen] | |||
qAnzahl=4 | |||
q1=na1 1.0 0 10 0 -1 | |||
q2=na2 1.0 0 10 0 -1 | |||
q3=na4 2.0 0.4 9 0 -1 | |||
q4=Ckat 1.0 0 6 0 -1 | |||
[Steuerfunktionen] | |||
uAnzahl=1 | |||
u1=Tc 3 20 100 | |||
u1tAnzahl=3 | |||
u1t0=t0 | |||
u1t1q=60 20 100 0 0 0 0 | |||
u1t1=2 | |||
u1t2q=60 20 100 0.0 -1e+10 1e+10 | |||
u1t2=8 | |||
u1t3q=60 20 100 0 0 0 | |||
u1t3=tend | |||
[NebenbedingungenSteuergroessen] | |||
cAnzahl=2 | |||
c1=cfcn1 1 | |||
c1bnd1=0.1 0.7 | |||
c2=cfcn2 1 | |||
c2bnd1=0.1 10 | |||
[Messverfahren] | |||
mAnzahl=1 | |||
m1=mfcn1 1 0 1e+10 0 | |||
m1f1=mess3 sigma3 1 | |||
mminmaxges=0 6 | |||
[Messungen] | |||
tAnzahl=20 | |||
t1=0.33 | |||
t1Anzahl=1 | |||
t1m1=mfcn1 0.3 1e-06 1 | |||
t1minmax=0 1e+10 | |||
t2=0.66 | |||
t2Anzahl=1 | |||
t2m1=mfcn1 0.3 1e-06 1 | |||
t2minmax=0 1e+10 | |||
t3=1 | |||
t3Anzahl=1 | |||
t3m1=mfcn1 0.3 1e-06 1 | |||
t3minmax=0 1e+10 | |||
t4=1.33 | |||
t4Anzahl=1 | |||
t4m1=mfcn1 0.3 1e-06 1 | |||
t4minmax=0 1e+10 | |||
t5=1.66 | |||
t5Anzahl=1 | |||
t5m1=mfcn1 0.3 1e-06 1 | |||
t5minmax=0 1e+10 | |||
t6=2 | |||
t6Anzahl=1 | |||
t6m1=mfcn1 0.3 1e-06 1 | |||
t6minmax=0 1e+10 | |||
t7=2.33 | |||
t7Anzahl=1 | |||
t7m1=mfcn1 0.3 1e-06 1 | |||
t7minmax=0 1e+10 | |||
t8=2.66 | |||
t8Anzahl=1 | |||
t8m1=mfcn1 0.3 1e-06 1 | |||
t8minmax=0 1e+10 | |||
t9=3 | |||
t9Anzahl=1 | |||
t9m1=mfcn1 0.3 1e-06 1 | |||
t9minmax=0 1e+10 | |||
t10=3.33 | |||
t10Anzahl=1 | |||
t10m1=mfcn1 0.3 1e-06 1 | |||
t10minmax=0 1e+10 | |||
t11=3.66 | |||
t11Anzahl=1 | |||
t11m1=mfcn1 0.3 1e-06 1 | |||
t11minmax=0 1e+10 | |||
t12=4 | |||
t12Anzahl=1 | |||
t12m1=mfcn1 0.3 1e-06 1 | |||
t12minmax=0 1e+10 | |||
t13=4.33 | |||
t13Anzahl=1 | |||
t13m1=mfcn1 0.3 1e-06 1 | |||
t13minmax=0 1e+10 | |||
t14=4.66 | |||
t14Anzahl=1 | |||
t14m1=mfcn1 0.3 1e-06 1 | |||
t14minmax=0 1e+10 | |||
t15=5 | |||
t15Anzahl=1 | |||
t15m1=mfcn1 0.3 1e-06 1 | |||
t15minmax=0 1e+10 | |||
t16=6 | |||
t16Anzahl=1 | |||
t16m1=mfcn1 0.3 1e-06 1 | |||
t16minmax=0 1e+10 | |||
t17=7 | |||
t17Anzahl=1 | |||
t17m1=mfcn1 0.3 1e-06 1 | |||
t17minmax=0 1e+10 | |||
t18=8 | |||
t18Anzahl=1 | |||
t18m1=mfcn1 0.3 1e-06 1 | |||
t18minmax=0 1e+10 | |||
t19=9 | |||
t19Anzahl=1 | |||
t19m1=mfcn1 0.3 1e-06 1 | |||
t19minmax=0 1e+10 | |||
t20=10 | |||
t20Anzahl=1 | |||
t20m1=mfcn1 0.3 1e-06 1 | |||
t20minmax=0 1e+10 | |||
[OptionenIntegration] | |||
teps=1e-08 | |||
rtol=1e-08 | |||
atol=1e-07 | |||
stepsize=0.0001 | |||
maxorder=6 | |||
maxstepnumber=4000 | |||
minstepsize=-1 | |||
maxstepsize=-1 | |||
maxitNewton=3 | |||
noerrorcontrol=0 | |||
realworkspace=170000 | |||
integerworkspace=500 | |||
printlevel=0 | |||
mcnonlinearflag=0 | |||
mcDAEflag=0 | |||
mctol=1e-07 | |||
mcmaxit=50 | |||
mclinesearch=1 | |||
mcalpha0=1 | |||
rndmethod=-1 | |||
rndeps=1e-05 | |||
rndverbose=0 | |||
</source> | |||
Experiment 3 | |||
<source lang="optimica"> | |||
[Flags] | |||
switch=1 | |||
[Kosten] | |||
costs=0 -1e+10 1e+10 | |||
[Integrationsintervall] | |||
t0=0 | |||
tend=10 | |||
[Modellfunktionen] | |||
ffcn=ffcn | |||
gfcn=gfcn | |||
[Zustandsvariablen] | |||
yAnzahl=4 | |||
y1=n1 na1 -1e+10 1e+10 | |||
y2=n2 na2 -1e+10 1e+10 | |||
y3=n3 0 -1e+10 1e+10 | |||
y4=n4 na4 -1e+10 1e+10 | |||
zAnzahl=0 | |||
[Mehrzielknoten] | |||
tAnzahl=0 | |||
t1=0 | |||
t2=0.33 | |||
t3=0.66 | |||
t4=1 | |||
t5=1.33 | |||
t6=1.66 | |||
t7=2 | |||
t8=2.33 | |||
t9=2.66 | |||
t10=3 | |||
t11=3.33 | |||
t12=3.66 | |||
t13=4 | |||
t14=4.33 | |||
t15=4.66 | |||
t16=5 | |||
t17=6 | |||
t18=7 | |||
t19=9 | |||
t20=10 | |||
[DynamischeNebenbedingungen] | |||
bAnzahl=0 | |||
[GitterUeberpruefungNebenbedingungen] | |||
tAnzahl=0 | |||
[Steuergroessen] | |||
qAnzahl=4 | |||
q1=na1 1.0 0 10 0 -1 | |||
q2=na2 1.0 0 10 0 -1 | |||
q3=na4 2.0 0.4 9 0 -1 | |||
q4=Ckat 2.0 0 6 0 -1 | |||
[Steuerfunktionen] | |||
uAnzahl=1 | |||
u1=Tc 3 20 100 | |||
u1tAnzahl=3 | |||
u1t0=t0 | |||
u1t1q=40 20 100 0 0 0 0 | |||
u1t1=2 | |||
u1t2q=40 20 100 0.0 -1e+10 1e+10 | |||
u1t2=8 | |||
u1t3q=40 20 100 0 0 0 | |||
u1t3=tend | |||
[NebenbedingungenSteuergroessen] | |||
cAnzahl=2 | |||
c1=cfcn1 1 | |||
c1bnd1=0.1 0.7 | |||
c2=cfcn2 1 | |||
c2bnd1=0.1 10 | |||
[Messverfahren] | |||
mAnzahl=1 | |||
m1=mfcn1 1 0 1e+10 0 | |||
m1f1=mess3 sigma3 1 | |||
mminmaxges=0 6 | |||
[Messungen] | |||
tAnzahl=20 | |||
t1=0.33 | |||
t1Anzahl=1 | |||
t1m1=mfcn1 0.3 1e-06 1 | |||
t1minmax=0 1e+10 | |||
t2=0.66 | |||
t2Anzahl=1 | |||
t2m1=mfcn1 0.3 1e-06 1 | |||
t2minmax=0 1e+10 | |||
t3=1 | |||
t3Anzahl=1 | |||
t3m1=mfcn1 0.3 1e-06 1 | |||
t3minmax=0 1e+10 | |||
t4=1.33 | |||
t4Anzahl=1 | |||
t4m1=mfcn1 0.3 1e-06 1 | |||
t4minmax=0 1e+10 | |||
t5=1.66 | |||
t5Anzahl=1 | |||
t5m1=mfcn1 0.3 1e-06 1 | |||
t5minmax=0 1e+10 | |||
t6=2 | |||
t6Anzahl=1 | |||
t6m1=mfcn1 0.3 1e-06 1 | |||
t6minmax=0 1e+10 | |||
t7=2.33 | |||
t7Anzahl=1 | |||
t7m1=mfcn1 0.3 1e-06 1 | |||
t7minmax=0 1e+10 | |||
t8=2.66 | |||
t8Anzahl=1 | |||
t8m1=mfcn1 0.3 1e-06 1 | |||
t8minmax=0 1e+10 | |||
t9=3 | |||
t9Anzahl=1 | |||
t9m1=mfcn1 0.3 1e-06 1 | |||
t9minmax=0 1e+10 | |||
t10=3.33 | |||
t10Anzahl=1 | |||
t10m1=mfcn1 0.3 1e-06 1 | |||
t10minmax=0 1e+10 | |||
t11=3.66 | |||
t11Anzahl=1 | |||
t11m1=mfcn1 0.3 1e-06 1 | |||
t11minmax=0 1e+10 | |||
t12=4 | |||
t12Anzahl=1 | |||
t12m1=mfcn1 0.3 1e-06 1 | |||
t12minmax=0 1e+10 | |||
t13=4.33 | |||
t13Anzahl=1 | |||
t13m1=mfcn1 0.3 1e-06 1 | |||
t13minmax=0 1e+10 | |||
t14=4.66 | |||
t14Anzahl=1 | |||
t14m1=mfcn1 0.3 1e-06 1 | |||
t14minmax=0 1e+10 | |||
t15=5 | |||
t15Anzahl=1 | |||
t15m1=mfcn1 0.3 1e-06 1 | |||
t15minmax=0 1e+10 | |||
t16=6 | |||
t16Anzahl=1 | |||
t16m1=mfcn1 0.3 1e-06 1 | |||
t16minmax=0 1e+10 | |||
t17=7 | |||
t17Anzahl=1 | |||
t17m1=mfcn1 0.3 1e-06 1 | |||
t17minmax=0 1e+10 | |||
t18=8 | |||
t18Anzahl=1 | |||
t18m1=mfcn1 0.3 1e-06 1 | |||
t18minmax=0 1e+10 | |||
t19=9 | |||
t19Anzahl=1 | |||
t19m1=mfcn1 0.3 1e-06 1 | |||
t19minmax=0 1e+10 | |||
t20=10 | |||
t20Anzahl=1 | |||
t20m1=mfcn1 0.3 1e-06 1 | |||
t20minmax=0 1e+10 | |||
[OptionenIntegration] | |||
teps=1e-08 | |||
rtol=1e-08 | |||
atol=1e-07 | |||
stepsize=0.0001 | |||
maxorder=6 | |||
maxstepnumber=4000 | |||
minstepsize=-1 | |||
maxstepsize=-1 | |||
maxitNewton=3 | |||
noerrorcontrol=0 | |||
realworkspace=170000 | |||
integerworkspace=500 | |||
printlevel=0 | |||
mcnonlinearflag=0 | |||
mcDAEflag=0 | |||
mctol=1e-07 | |||
mcmaxit=50 | |||
mclinesearch=1 | |||
mcalpha0=1 | |||
rndmethod=-1 | |||
rndeps=1e-05 | |||
rndverbose=0 | |||
</source> | |||
Experiment 4 | |||
<source lang="optimica"> | |||
[Flags] | |||
switch=1 | |||
[Kosten] | |||
costs=0 -1e+10 1e+10 | |||
[Integrationsintervall] | |||
t0=0 | |||
tend=10 | |||
[Modellfunktionen] | |||
ffcn=ffcn | |||
gfcn=gfcn | |||
[Zustandsvariablen] | |||
yAnzahl=4 | |||
y1=n1 na1 -1e+10 1e+10 | |||
y2=n2 na2 -1e+10 1e+10 | |||
y3=n3 0 -1e+10 1e+10 | |||
y4=n4 na4 -1e+10 1e+10 | |||
zAnzahl=0 | |||
[Mehrzielknoten] | |||
tAnzahl=0 | |||
t1=0 | |||
t2=0.33 | |||
t3=0.66 | |||
t4=1 | |||
t5=1.33 | |||
t6=1.66 | |||
t7=2 | |||
t8=2.33 | |||
t9=2.66 | |||
t10=3 | |||
t11=3.33 | |||
t12=3.66 | |||
t13=4 | |||
t14=4.33 | |||
t15=4.66 | |||
t16=5 | |||
t17=6 | |||
t18=7 | |||
t19=9 | |||
t20=10 | |||
[DynamischeNebenbedingungen] | |||
bAnzahl=0 | |||
[GitterUeberpruefungNebenbedingungen] | |||
tAnzahl=0 | |||
[Steuergroessen] | |||
qAnzahl=4 | |||
q1=na1 1.0 0 10 0 -1 | |||
q2=na2 1.0 0 10 0 -1 | |||
q3=na4 2.0 0.4 9 0 -1 | |||
q4=Ckat 3.0 0 6 0 -1 | |||
[Steuerfunktionen] | |||
uAnzahl=1 | |||
u1=Tc 3 20 100 | |||
u1tAnzahl=3 | |||
u1t0=t0 | |||
u1t1q=20 20 100 0 0 0 0 | |||
u1t1=2 | |||
u1t2q=20 20 100 0.0 -1e+10 1e+10 | |||
u1t2=8 | |||
u1t3q=20 20 100 0 0 0 | |||
u1t3=tend | |||
[NebenbedingungenSteuergroessen] | |||
cAnzahl=2 | |||
c1=cfcn1 1 | |||
c1bnd1=0.1 0.7 | |||
c2=cfcn2 1 | |||
c2bnd1=0.1 10 | |||
[Messverfahren] | |||
mAnzahl=1 | |||
m1=mfcn1 1 0 1e+10 0 | |||
m1f1=mess3 sigma3 1 | |||
mminmaxges=0 6 | |||
[Messungen] | |||
tAnzahl=20 | |||
t1=0.33 | |||
t1Anzahl=1 | |||
t1m1=mfcn1 0.3 1e-06 1 | |||
t1minmax=0 1e+10 | |||
t2=0.66 | |||
t2Anzahl=1 | |||
t2m1=mfcn1 0.3 1e-06 1 | |||
t2minmax=0 1e+10 | |||
t3=1 | |||
t3Anzahl=1 | |||
t3m1=mfcn1 0.3 1e-06 1 | |||
t3minmax=0 1e+10 | |||
t4=1.33 | |||
t4Anzahl=1 | |||
t4m1=mfcn1 0.3 1e-06 1 | |||
t4minmax=0 1e+10 | |||
t5=1.66 | |||
t5Anzahl=1 | |||
t5m1=mfcn1 0.3 1e-06 1 | |||
t5minmax=0 1e+10 | |||
t6=2 | |||
t6Anzahl=1 | |||
t6m1=mfcn1 0.3 1e-06 1 | |||
t6minmax=0 1e+10 | |||
t7=2.33 | |||
t7Anzahl=1 | |||
t7m1=mfcn1 0.3 1e-06 1 | |||
t7minmax=0 1e+10 | |||
t8=2.66 | |||
t8Anzahl=1 | |||
t8m1=mfcn1 0.3 1e-06 1 | |||
t8minmax=0 1e+10 | |||
t9=3 | |||
t9Anzahl=1 | |||
t9m1=mfcn1 0.3 1e-06 1 | |||
t9minmax=0 1e+10 | |||
t10=3.33 | |||
t10Anzahl=1 | |||
t10m1=mfcn1 0.3 1e-06 1 | |||
t10minmax=0 1e+10 | |||
t11=3.66 | |||
t11Anzahl=1 | |||
t11m1=mfcn1 0.3 1e-06 1 | |||
t11minmax=0 1e+10 | |||
t12=4 | |||
t12Anzahl=1 | |||
t12m1=mfcn1 0.3 1e-06 1 | |||
t12minmax=0 1e+10 | |||
t13=4.33 | |||
t13Anzahl=1 | |||
t13m1=mfcn1 0.3 1e-06 1 | |||
t13minmax=0 1e+10 | |||
t14=4.66 | |||
t14Anzahl=1 | |||
t14m1=mfcn1 0.3 1e-06 1 | |||
t14minmax=0 1e+10 | |||
t15=5 | |||
t15Anzahl=1 | |||
t15m1=mfcn1 0.3 1e-06 1 | |||
t15minmax=0 1e+10 | |||
t16=6 | |||
t16Anzahl=1 | |||
t16m1=mfcn1 0.3 1e-06 1 | |||
t16minmax=0 1e+10 | |||
t17=7 | |||
t17Anzahl=1 | |||
t17m1=mfcn1 0.3 1e-06 1 | |||
t17minmax=0 1e+10 | |||
t18=8 | |||
t18Anzahl=1 | |||
t18m1=mfcn1 0.3 1e-06 1 | |||
t18minmax=0 1e+10 | |||
t19=9 | |||
t19Anzahl=1 | |||
t19m1=mfcn1 0.3 1e-06 1 | |||
t19minmax=0 1e+10 | |||
t20=10 | |||
t20Anzahl=1 | |||
t20m1=mfcn1 0.3 1e-06 1 | |||
t20minmax=0 1e+10 | |||
[OptionenIntegration] | |||
teps=1e-08 | |||
rtol=1e-08 | |||
atol=1e-07 | |||
stepsize=0.0001 | |||
maxorder=6 | |||
maxstepnumber=4000 | |||
minstepsize=-1 | |||
maxstepsize=-1 | |||
maxitNewton=3 | |||
noerrorcontrol=0 | |||
realworkspace=170000 | |||
integerworkspace=500 | |||
printlevel=0 | |||
mcnonlinearflag=0 | |||
mcDAEflag=0 | |||
mctol=1e-07 | |||
mcmaxit=50 | |||
mclinesearch=1 | |||
mcalpha0=1 | |||
rndmethod=-1 | |||
rndeps=1e-05 | |||
rndverbose=0 | |||
</source> | |||
ini-file for running VPLAN: | |||
<source lang="optimica"> | |||
[Aktion] | |||
;aktion=Integration | |||
;aktion=Simulationsumgebung | |||
;aktion=Parameterschaetzung | |||
;aktion=Versuchsplanung | |||
;aktion=ObjectiveTest | |||
;aktion=DerivativeTest | |||
;aktion={CS} | |||
aktion={CSVCS} | |||
[Pfade] | |||
problempath=vpbimolkat_origin | |||
inpath=in | |||
outpath=out | |||
messpath=mess | |||
plotpath=plot | |||
fortranpath=fortran | |||
[Parameter] | |||
pAnzahl=5 | |||
p1=kr1 1 -1e+10 1e+10 0 | |||
p2=e 1 -1e+10 1e+10 0 | |||
p3=k1 1 -1e+10 1e+10 0 | |||
p4=ekat 1 -1e+10 1e+10 0 | |||
p5=lambda 1 -1e+10 1e+10 0 | |||
[Versuchsplan] | |||
expAnzahl=4 | |||
exp1=exp1.ini exp1.ini | |||
exp2=exp2.ini exp2.ini | |||
exp3=exp3.ini exp3.ini | |||
exp4=exp4.ini exp4.ini | |||
[Guetekriterium] | |||
Optimierungskriterium=A | |||
AKriterium=-1 | |||
DKriterium=-1 | |||
EKriterium=-1 | |||
MKriterium=-1 | |||
covmat=covmat.m | |||
jacmat=jacmat.m | |||
status=undefiniert | |||
[Residuum] | |||
res=0 | |||
[Kosten] | |||
costs=0 -1e+10 1e+10 | |||
[Messdatenfiles] | |||
mess1=mess1.dat | |||
mess2=mess2.dat | |||
mess3=mess3.dat | |||
mess4=mess4.dat | |||
[Outputfiles] | |||
out1=plot 0.05 integ.plt.1 | |||
out2=plot 0.05 integ.plt.2 | |||
out3=plot 0.05 integ.plt.3 | |||
out4=plot 0.05 integ.plt.4 | |||
[Residuenfiles] | |||
rsd1=res1.txt | |||
rsd2=res2.txt | |||
rsd3=res3.txt | |||
rsd4=res4.txt | |||
[ExtensionFlags] | |||
experimenttype=0 | |||
integrator=0 | |||
dmode=0 | |||
pdeFlag=0 | |||
[OptionenAllgemein] | |||
visflag=0 | |||
messfileflag=0 | |||
seed=-1 | |||
numberofthreads=1 | |||
robustflag=0 | |||
epsmach=0 | |||
infinity=1e+10 | |||
epsilon=1e-08 | |||
conflevel=0.95 | |||
hrobust=1e-05 | |||
computesigma=0 | |||
exitonFPE=1 | |||
iniprecision=6 | |||
clipboardflag=0 | |||
printxi=0 | |||
printconstr=0 | |||
printcolorful=-1 | |||
[OptionenParameterschaetzung] | |||
eps=0.001 | |||
itmax=50 | |||
cond=10000 | |||
condflag=1 | |||
boundcheck=0 | |||
startflag=0 | |||
index1=1e-08 | |||
fashort=0.8 | |||
fa0=0.01 | |||
farel=0.1 | |||
famax=1.0 | |||
realworkspace=10000 | |||
integerworkspace=1000 | |||
printlevel=2 | |||
method=3 | |||
[OptionenVersuchsplanung] | |||
maxit=300 | |||
opttol=1e-06 | |||
funcprec=1e-07 | |||
linfeas=1e-07 | |||
nlinfeas=0.01 | |||
maxitQP=300 | |||
maxitgesQP=10000 | |||
opttolQP=1e-06 | |||
pivottolQP=3.7e-11 | |||
steplimitLS=2 | |||
tolLS=0.9 | |||
crashtol=0.0001 | |||
elasticweight=100 | |||
superbasics=1 | |||
scaling=1 | |||
sconstraints=0 | |||
realworkspace=300000 | |||
integerworkspace=300000 | |||
charworkspace=500 | |||
printlevel=10 | |||
method=1 | |||
</source> | |||
[[Category: VPLAN]] | |||
Latest revision as of 13:13, 2 February 2016
This is a VPLAN implementation for the Diels-Alder Reaction Experimental Design problem.
Differential equations:
c RHS of the differential equations
subroutine ffcn( t, x, f, p, q, rwh, iwh, iflag )
implicit none
real*8 x(*), f(*), p(*), q(*), rwh(*), t
integer*4 iwh(*), iflag
real*8 n1, n2, n3, n4
real*8 na1, na2, na4
real*8 fg, Temp, E , Rg , T1, Tc
real*8 r1, mR
real*8 kr1, kkat, Ckat, Ekat
real*8 k1, lambda
real*8 M1, M2, M3, M4
real*8 dm
c State variables
n1 = x(1)
n2 = x(2)
n3 = x(3)
n4 = x(4)
c Control variables
na1 = q(1)
na2 = q(2)
na4 = q(3)
Ckat = q(4)
c Control function
c DISCRETIZE1( Tc, rwh, iwh )
c Parameters
kr1 = p(1) * 1.0d-2
E = p(2) * 60000.0d+0
k1 = p(3) * 0.10d+0
Ekat = p(4) * 40000.0d0
lambda = p(5) * 0.25d+0
c Molar masses (in kg/mol)
M1 = 0.1362d+0
M2 = 0.09806d+0
M3 = M1 + M2
M4 = 0.236d+0
Temp = Tc + 273.0d+0
Rg = 8.314d+0
T1 = 293.0d+0
c Reaction rates
mR = n1*M1 + n2*M2 +n3*M3 + n4*M4
kkat = kr1 * dexp( -E/Rg * ( 1.0d+0/Temp - 1.0d+0/T1 ) )
& + k1 * dexp( -Ekat/Rg *( 1.0d+0/Temp - 1.0d+0/T1 ) )
& * Ckat * dexp( -lambda * t )
r1 = kkat * n1 * n2 / mR
f(1) = -r1
f(2) = -r1
f(3) = r1
f(4) = 0.0d0
end
Algebraic equations:
c Dummyfunction for RHS of algebraic equations
subroutine gfcn( t, x, g, p, q, rwh, iwh, iflag )
implicit none
real*8 x(*), g(*), p(*), q(*), rwh(*), t
integer*4 iwh(*), iflag
iflag=0
end
Measurement function:
c Messfunktion
subroutine mess3( t, x, h, p, q, rwh, iwh, iflag )
implicit none
real*8 t, x(*), h, p(*), q(*), rwh(*)
integer*4 iwh(*), iflag
real*8 M1, M2, M3, M4, mR
c Berechnung der Reaktormasse
M1 = 0.1362d+0
M2 = 0.09806d+0
M3 = M1 + M2
M4 = 0.236d+0
mR = M1*x(1) + M2*x(2) + M3*x(3) + M4*x(4)
c Messwert: Massenprozent
h = M3*x(3) * 100.0d+0/mR
iflag = 0
end
Standard deviation of measurement function:
c Standardabweichung der Messfunktion
subroutine sigma3( t, x, s, p, q, rwh, iwh, iflag )
implicit none
real*8 rwh(*)
integer*4 iwh(*), iflag
real*8 t, x(*), p(*), q(*)
real*8 s
real*8 h
s = 1.0d+0
iflag = 0
end
VPLAN specific experimental setup:
Experiment 1
[Flags]
switch=1
[Kosten]
costs=0 -1e+10 1e+10
[Integrationsintervall]
t0=0
tend=10
[Modellfunktionen]
ffcn=ffcn
gfcn=gfcn
[Zustandsvariablen]
yAnzahl=4
y1=n1 na1 -1e+10 1e+10
y2=n2 na2 -1e+10 1e+10
y3=n3 0 -1e+10 1e+10
y4=n4 na4 -1e+10 1e+10
zAnzahl=0
[Mehrzielknoten]
tAnzahl=0
t1=0
t2=0.33
t3=0.66
t4=1
t5=1.33
t6=1.66
t7=2
t8=2.33
t9=2.66
t10=3
t11=3.33
t12=3.66
t13=4
t14=4.33
t15=4.66
t16=5
t17=6
t18=7
t19=9
t20=10
[DynamischeNebenbedingungen]
bAnzahl=0
[GitterUeberpruefungNebenbedingungen]
tAnzahl=0
[Steuergroessen]
qAnzahl=4
q1=na1 1.0 0 10 0 -1
q2=na2 1.0 0 10 0 -1
q3=na4 2.0 0.4 9 0 -1
q4=Ckat 0.0 0 6 0 -1
[Steuerfunktionen]
uAnzahl=1
u1=Tc 3 20 100
u1tAnzahl=3
u1t0=t0
u1t1q=20 20 100 0 0 0
u1t1=2
u1t2q=20 20 100 0.0 -1e+10 1e+10
u1t2=8
u1t3q=20 20 100 0 0 0
u1t3=tend
[NebenbedingungenSteuergroessen]
cAnzahl=2
c1=cfcn1 1
c1bnd1=0.1 0.7
c2=cfcn2 1
c2bnd1=0.1 10
[Messverfahren]
mAnzahl=1
m1=mfcn1 1 0 1e+10 0
m1f1=mess3 sigma3 1
mminmaxges=0 6
[Messungen]
tAnzahl=20
t1=0.33
t1Anzahl=1
t1m1=mfcn1 0.3 1e-06 1
t1minmax=0 1e+10
t2=0.66
t2Anzahl=1
t2m1=mfcn1 0.3 1e-06 1
t2minmax=0 1e+10
t3=1
t3Anzahl=1
t3m1=mfcn1 0.3 1e-06 1
t3minmax=0 1e+10
t4=1.33
t4Anzahl=1
t4m1=mfcn1 0.3 1e-06 1
t4minmax=0 1e+10
t5=1.66
t5Anzahl=1
t5m1=mfcn1 0.3 1e-06 1
t5minmax=0 1e+10
t6=2
t6Anzahl=1
t6m1=mfcn1 0.3 1e-06 1
t6minmax=0 1e+10
t7=2.33
t7Anzahl=1
t7m1=mfcn1 0.3 1e-06 1
t7minmax=0 1e+10
t8=2.66
t8Anzahl=1
t8m1=mfcn1 0.3 1e-06 1
t8minmax=0 1e+10
t9=3
t9Anzahl=1
t9m1=mfcn1 0.3 1e-06 1
t9minmax=0 1e+10
t10=3.33
t10Anzahl=1
t10m1=mfcn1 0.3 1e-06 1
t10minmax=0 1e+10
t11=3.66
t11Anzahl=1
t11m1=mfcn1 0.3 1e-06 1
t11minmax=0 1e+10
t12=4
t12Anzahl=1
t12m1=mfcn1 0.3 1e-06 1
t12minmax=0 1e+10
t13=4.33
t13Anzahl=1
t13m1=mfcn1 0.3 1e-06 1
t13minmax=0 1e+10
t14=4.66
t14Anzahl=1
t14m1=mfcn1 0.3 1e-06 1
t14minmax=0 1e+10
t15=5
t15Anzahl=1
t15m1=mfcn1 0.3 1e-06 1
t15minmax=0 1e+10
t16=6
t16Anzahl=1
t16m1=mfcn1 0.3 1e-06 1
t16minmax=0 1e+10
t17=7
t17Anzahl=1
t17m1=mfcn1 0.3 1e-06 1
t17minmax=0 1e+10
t18=8
t18Anzahl=1
t18m1=mfcn1 0.3 1e-06 1
t18minmax=0 1e+10
t19=9
t19Anzahl=1
t19m1=mfcn1 0.3 1e-06 1
t19minmax=0 1e+10
t20=10
t20Anzahl=1
t20m1=mfcn1 0.3 1e-06 1
t20minmax=0 1e+10
[OptionenIntegration]
teps=1e-08
rtol=1e-08
atol=1e-07
stepsize=0.0001
maxorder=6
maxstepnumber=4000
minstepsize=-1
maxstepsize=-1
maxitNewton=3
noerrorcontrol=0
realworkspace=170000
integerworkspace=500
printlevel=0
mcnonlinearflag=0
mcDAEflag=0
mctol=1e-07
mcmaxit=50
mclinesearch=1
mcalpha0=1
rndmethod=-1
rndeps=1e-05
rndverbose=0Experiment 2
[Flags]
switch=1
[Kosten]
costs=0 -1e+10 1e+10
[Integrationsintervall]
t0=0
tend=10
[Modellfunktionen]
ffcn=ffcn
gfcn=gfcn
[Zustandsvariablen]
yAnzahl=4
y1=n1 na1 -1e+10 1e+10
y2=n2 na2 -1e+10 1e+10
y3=n3 0 -1e+10 1e+10
y4=n4 na4 -1e+10 1e+10
zAnzahl=0
[Mehrzielknoten]
tAnzahl=0
t1=0
t2=0.33
t3=0.66
t4=1
t5=1.33
t6=1.66
t7=2
t8=2.33
t9=2.66
t10=3
t11=3.33
t12=3.66
t13=4
t14=4.33
t15=4.66
t16=5
t17=6
t18=7
t19=9
t20=10
[DynamischeNebenbedingungen]
bAnzahl=0
[GitterUeberpruefungNebenbedingungen]
tAnzahl=0
[Steuergroessen]
qAnzahl=4
q1=na1 1.0 0 10 0 -1
q2=na2 1.0 0 10 0 -1
q3=na4 2.0 0.4 9 0 -1
q4=Ckat 1.0 0 6 0 -1
[Steuerfunktionen]
uAnzahl=1
u1=Tc 3 20 100
u1tAnzahl=3
u1t0=t0
u1t1q=60 20 100 0 0 0 0
u1t1=2
u1t2q=60 20 100 0.0 -1e+10 1e+10
u1t2=8
u1t3q=60 20 100 0 0 0
u1t3=tend
[NebenbedingungenSteuergroessen]
cAnzahl=2
c1=cfcn1 1
c1bnd1=0.1 0.7
c2=cfcn2 1
c2bnd1=0.1 10
[Messverfahren]
mAnzahl=1
m1=mfcn1 1 0 1e+10 0
m1f1=mess3 sigma3 1
mminmaxges=0 6
[Messungen]
tAnzahl=20
t1=0.33
t1Anzahl=1
t1m1=mfcn1 0.3 1e-06 1
t1minmax=0 1e+10
t2=0.66
t2Anzahl=1
t2m1=mfcn1 0.3 1e-06 1
t2minmax=0 1e+10
t3=1
t3Anzahl=1
t3m1=mfcn1 0.3 1e-06 1
t3minmax=0 1e+10
t4=1.33
t4Anzahl=1
t4m1=mfcn1 0.3 1e-06 1
t4minmax=0 1e+10
t5=1.66
t5Anzahl=1
t5m1=mfcn1 0.3 1e-06 1
t5minmax=0 1e+10
t6=2
t6Anzahl=1
t6m1=mfcn1 0.3 1e-06 1
t6minmax=0 1e+10
t7=2.33
t7Anzahl=1
t7m1=mfcn1 0.3 1e-06 1
t7minmax=0 1e+10
t8=2.66
t8Anzahl=1
t8m1=mfcn1 0.3 1e-06 1
t8minmax=0 1e+10
t9=3
t9Anzahl=1
t9m1=mfcn1 0.3 1e-06 1
t9minmax=0 1e+10
t10=3.33
t10Anzahl=1
t10m1=mfcn1 0.3 1e-06 1
t10minmax=0 1e+10
t11=3.66
t11Anzahl=1
t11m1=mfcn1 0.3 1e-06 1
t11minmax=0 1e+10
t12=4
t12Anzahl=1
t12m1=mfcn1 0.3 1e-06 1
t12minmax=0 1e+10
t13=4.33
t13Anzahl=1
t13m1=mfcn1 0.3 1e-06 1
t13minmax=0 1e+10
t14=4.66
t14Anzahl=1
t14m1=mfcn1 0.3 1e-06 1
t14minmax=0 1e+10
t15=5
t15Anzahl=1
t15m1=mfcn1 0.3 1e-06 1
t15minmax=0 1e+10
t16=6
t16Anzahl=1
t16m1=mfcn1 0.3 1e-06 1
t16minmax=0 1e+10
t17=7
t17Anzahl=1
t17m1=mfcn1 0.3 1e-06 1
t17minmax=0 1e+10
t18=8
t18Anzahl=1
t18m1=mfcn1 0.3 1e-06 1
t18minmax=0 1e+10
t19=9
t19Anzahl=1
t19m1=mfcn1 0.3 1e-06 1
t19minmax=0 1e+10
t20=10
t20Anzahl=1
t20m1=mfcn1 0.3 1e-06 1
t20minmax=0 1e+10
[OptionenIntegration]
teps=1e-08
rtol=1e-08
atol=1e-07
stepsize=0.0001
maxorder=6
maxstepnumber=4000
minstepsize=-1
maxstepsize=-1
maxitNewton=3
noerrorcontrol=0
realworkspace=170000
integerworkspace=500
printlevel=0
mcnonlinearflag=0
mcDAEflag=0
mctol=1e-07
mcmaxit=50
mclinesearch=1
mcalpha0=1
rndmethod=-1
rndeps=1e-05
rndverbose=0
Experiment 3
[Flags]
switch=1
[Kosten]
costs=0 -1e+10 1e+10
[Integrationsintervall]
t0=0
tend=10
[Modellfunktionen]
ffcn=ffcn
gfcn=gfcn
[Zustandsvariablen]
yAnzahl=4
y1=n1 na1 -1e+10 1e+10
y2=n2 na2 -1e+10 1e+10
y3=n3 0 -1e+10 1e+10
y4=n4 na4 -1e+10 1e+10
zAnzahl=0
[Mehrzielknoten]
tAnzahl=0
t1=0
t2=0.33
t3=0.66
t4=1
t5=1.33
t6=1.66
t7=2
t8=2.33
t9=2.66
t10=3
t11=3.33
t12=3.66
t13=4
t14=4.33
t15=4.66
t16=5
t17=6
t18=7
t19=9
t20=10
[DynamischeNebenbedingungen]
bAnzahl=0
[GitterUeberpruefungNebenbedingungen]
tAnzahl=0
[Steuergroessen]
qAnzahl=4
q1=na1 1.0 0 10 0 -1
q2=na2 1.0 0 10 0 -1
q3=na4 2.0 0.4 9 0 -1
q4=Ckat 2.0 0 6 0 -1
[Steuerfunktionen]
uAnzahl=1
u1=Tc 3 20 100
u1tAnzahl=3
u1t0=t0
u1t1q=40 20 100 0 0 0 0
u1t1=2
u1t2q=40 20 100 0.0 -1e+10 1e+10
u1t2=8
u1t3q=40 20 100 0 0 0
u1t3=tend
[NebenbedingungenSteuergroessen]
cAnzahl=2
c1=cfcn1 1
c1bnd1=0.1 0.7
c2=cfcn2 1
c2bnd1=0.1 10
[Messverfahren]
mAnzahl=1
m1=mfcn1 1 0 1e+10 0
m1f1=mess3 sigma3 1
mminmaxges=0 6
[Messungen]
tAnzahl=20
t1=0.33
t1Anzahl=1
t1m1=mfcn1 0.3 1e-06 1
t1minmax=0 1e+10
t2=0.66
t2Anzahl=1
t2m1=mfcn1 0.3 1e-06 1
t2minmax=0 1e+10
t3=1
t3Anzahl=1
t3m1=mfcn1 0.3 1e-06 1
t3minmax=0 1e+10
t4=1.33
t4Anzahl=1
t4m1=mfcn1 0.3 1e-06 1
t4minmax=0 1e+10
t5=1.66
t5Anzahl=1
t5m1=mfcn1 0.3 1e-06 1
t5minmax=0 1e+10
t6=2
t6Anzahl=1
t6m1=mfcn1 0.3 1e-06 1
t6minmax=0 1e+10
t7=2.33
t7Anzahl=1
t7m1=mfcn1 0.3 1e-06 1
t7minmax=0 1e+10
t8=2.66
t8Anzahl=1
t8m1=mfcn1 0.3 1e-06 1
t8minmax=0 1e+10
t9=3
t9Anzahl=1
t9m1=mfcn1 0.3 1e-06 1
t9minmax=0 1e+10
t10=3.33
t10Anzahl=1
t10m1=mfcn1 0.3 1e-06 1
t10minmax=0 1e+10
t11=3.66
t11Anzahl=1
t11m1=mfcn1 0.3 1e-06 1
t11minmax=0 1e+10
t12=4
t12Anzahl=1
t12m1=mfcn1 0.3 1e-06 1
t12minmax=0 1e+10
t13=4.33
t13Anzahl=1
t13m1=mfcn1 0.3 1e-06 1
t13minmax=0 1e+10
t14=4.66
t14Anzahl=1
t14m1=mfcn1 0.3 1e-06 1
t14minmax=0 1e+10
t15=5
t15Anzahl=1
t15m1=mfcn1 0.3 1e-06 1
t15minmax=0 1e+10
t16=6
t16Anzahl=1
t16m1=mfcn1 0.3 1e-06 1
t16minmax=0 1e+10
t17=7
t17Anzahl=1
t17m1=mfcn1 0.3 1e-06 1
t17minmax=0 1e+10
t18=8
t18Anzahl=1
t18m1=mfcn1 0.3 1e-06 1
t18minmax=0 1e+10
t19=9
t19Anzahl=1
t19m1=mfcn1 0.3 1e-06 1
t19minmax=0 1e+10
t20=10
t20Anzahl=1
t20m1=mfcn1 0.3 1e-06 1
t20minmax=0 1e+10
[OptionenIntegration]
teps=1e-08
rtol=1e-08
atol=1e-07
stepsize=0.0001
maxorder=6
maxstepnumber=4000
minstepsize=-1
maxstepsize=-1
maxitNewton=3
noerrorcontrol=0
realworkspace=170000
integerworkspace=500
printlevel=0
mcnonlinearflag=0
mcDAEflag=0
mctol=1e-07
mcmaxit=50
mclinesearch=1
mcalpha0=1
rndmethod=-1
rndeps=1e-05
rndverbose=0Experiment 4
[Flags]
switch=1
[Kosten]
costs=0 -1e+10 1e+10
[Integrationsintervall]
t0=0
tend=10
[Modellfunktionen]
ffcn=ffcn
gfcn=gfcn
[Zustandsvariablen]
yAnzahl=4
y1=n1 na1 -1e+10 1e+10
y2=n2 na2 -1e+10 1e+10
y3=n3 0 -1e+10 1e+10
y4=n4 na4 -1e+10 1e+10
zAnzahl=0
[Mehrzielknoten]
tAnzahl=0
t1=0
t2=0.33
t3=0.66
t4=1
t5=1.33
t6=1.66
t7=2
t8=2.33
t9=2.66
t10=3
t11=3.33
t12=3.66
t13=4
t14=4.33
t15=4.66
t16=5
t17=6
t18=7
t19=9
t20=10
[DynamischeNebenbedingungen]
bAnzahl=0
[GitterUeberpruefungNebenbedingungen]
tAnzahl=0
[Steuergroessen]
qAnzahl=4
q1=na1 1.0 0 10 0 -1
q2=na2 1.0 0 10 0 -1
q3=na4 2.0 0.4 9 0 -1
q4=Ckat 3.0 0 6 0 -1
[Steuerfunktionen]
uAnzahl=1
u1=Tc 3 20 100
u1tAnzahl=3
u1t0=t0
u1t1q=20 20 100 0 0 0 0
u1t1=2
u1t2q=20 20 100 0.0 -1e+10 1e+10
u1t2=8
u1t3q=20 20 100 0 0 0
u1t3=tend
[NebenbedingungenSteuergroessen]
cAnzahl=2
c1=cfcn1 1
c1bnd1=0.1 0.7
c2=cfcn2 1
c2bnd1=0.1 10
[Messverfahren]
mAnzahl=1
m1=mfcn1 1 0 1e+10 0
m1f1=mess3 sigma3 1
mminmaxges=0 6
[Messungen]
tAnzahl=20
t1=0.33
t1Anzahl=1
t1m1=mfcn1 0.3 1e-06 1
t1minmax=0 1e+10
t2=0.66
t2Anzahl=1
t2m1=mfcn1 0.3 1e-06 1
t2minmax=0 1e+10
t3=1
t3Anzahl=1
t3m1=mfcn1 0.3 1e-06 1
t3minmax=0 1e+10
t4=1.33
t4Anzahl=1
t4m1=mfcn1 0.3 1e-06 1
t4minmax=0 1e+10
t5=1.66
t5Anzahl=1
t5m1=mfcn1 0.3 1e-06 1
t5minmax=0 1e+10
t6=2
t6Anzahl=1
t6m1=mfcn1 0.3 1e-06 1
t6minmax=0 1e+10
t7=2.33
t7Anzahl=1
t7m1=mfcn1 0.3 1e-06 1
t7minmax=0 1e+10
t8=2.66
t8Anzahl=1
t8m1=mfcn1 0.3 1e-06 1
t8minmax=0 1e+10
t9=3
t9Anzahl=1
t9m1=mfcn1 0.3 1e-06 1
t9minmax=0 1e+10
t10=3.33
t10Anzahl=1
t10m1=mfcn1 0.3 1e-06 1
t10minmax=0 1e+10
t11=3.66
t11Anzahl=1
t11m1=mfcn1 0.3 1e-06 1
t11minmax=0 1e+10
t12=4
t12Anzahl=1
t12m1=mfcn1 0.3 1e-06 1
t12minmax=0 1e+10
t13=4.33
t13Anzahl=1
t13m1=mfcn1 0.3 1e-06 1
t13minmax=0 1e+10
t14=4.66
t14Anzahl=1
t14m1=mfcn1 0.3 1e-06 1
t14minmax=0 1e+10
t15=5
t15Anzahl=1
t15m1=mfcn1 0.3 1e-06 1
t15minmax=0 1e+10
t16=6
t16Anzahl=1
t16m1=mfcn1 0.3 1e-06 1
t16minmax=0 1e+10
t17=7
t17Anzahl=1
t17m1=mfcn1 0.3 1e-06 1
t17minmax=0 1e+10
t18=8
t18Anzahl=1
t18m1=mfcn1 0.3 1e-06 1
t18minmax=0 1e+10
t19=9
t19Anzahl=1
t19m1=mfcn1 0.3 1e-06 1
t19minmax=0 1e+10
t20=10
t20Anzahl=1
t20m1=mfcn1 0.3 1e-06 1
t20minmax=0 1e+10
[OptionenIntegration]
teps=1e-08
rtol=1e-08
atol=1e-07
stepsize=0.0001
maxorder=6
maxstepnumber=4000
minstepsize=-1
maxstepsize=-1
maxitNewton=3
noerrorcontrol=0
realworkspace=170000
integerworkspace=500
printlevel=0
mcnonlinearflag=0
mcDAEflag=0
mctol=1e-07
mcmaxit=50
mclinesearch=1
mcalpha0=1
rndmethod=-1
rndeps=1e-05
rndverbose=0
ini-file for running VPLAN:
[Aktion]
;aktion=Integration
;aktion=Simulationsumgebung
;aktion=Parameterschaetzung
;aktion=Versuchsplanung
;aktion=ObjectiveTest
;aktion=DerivativeTest
;aktion={CS}
aktion={CSVCS}
[Pfade]
problempath=vpbimolkat_origin
inpath=in
outpath=out
messpath=mess
plotpath=plot
fortranpath=fortran
[Parameter]
pAnzahl=5
p1=kr1 1 -1e+10 1e+10 0
p2=e 1 -1e+10 1e+10 0
p3=k1 1 -1e+10 1e+10 0
p4=ekat 1 -1e+10 1e+10 0
p5=lambda 1 -1e+10 1e+10 0
[Versuchsplan]
expAnzahl=4
exp1=exp1.ini exp1.ini
exp2=exp2.ini exp2.ini
exp3=exp3.ini exp3.ini
exp4=exp4.ini exp4.ini
[Guetekriterium]
Optimierungskriterium=A
AKriterium=-1
DKriterium=-1
EKriterium=-1
MKriterium=-1
covmat=covmat.m
jacmat=jacmat.m
status=undefiniert
[Residuum]
res=0
[Kosten]
costs=0 -1e+10 1e+10
[Messdatenfiles]
mess1=mess1.dat
mess2=mess2.dat
mess3=mess3.dat
mess4=mess4.dat
[Outputfiles]
out1=plot 0.05 integ.plt.1
out2=plot 0.05 integ.plt.2
out3=plot 0.05 integ.plt.3
out4=plot 0.05 integ.plt.4
[Residuenfiles]
rsd1=res1.txt
rsd2=res2.txt
rsd3=res3.txt
rsd4=res4.txt
[ExtensionFlags]
experimenttype=0
integrator=0
dmode=0
pdeFlag=0
[OptionenAllgemein]
visflag=0
messfileflag=0
seed=-1
numberofthreads=1
robustflag=0
epsmach=0
infinity=1e+10
epsilon=1e-08
conflevel=0.95
hrobust=1e-05
computesigma=0
exitonFPE=1
iniprecision=6
clipboardflag=0
printxi=0
printconstr=0
printcolorful=-1
[OptionenParameterschaetzung]
eps=0.001
itmax=50
cond=10000
condflag=1
boundcheck=0
startflag=0
index1=1e-08
fashort=0.8
fa0=0.01
farel=0.1
famax=1.0
realworkspace=10000
integerworkspace=1000
printlevel=2
method=3
[OptionenVersuchsplanung]
maxit=300
opttol=1e-06
funcprec=1e-07
linfeas=1e-07
nlinfeas=0.01
maxitQP=300
maxitgesQP=10000
opttolQP=1e-06
pivottolQP=3.7e-11
steplimitLS=2
tolLS=0.9
crashtol=0.0001
elasticweight=100
superbasics=1
scaling=1
sconstraints=0
realworkspace=300000
integerworkspace=300000
charworkspace=500
printlevel=10
method=1