Difference between revisions of "Diels-Alder Reaction Experimental Design (VPLAN)"

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== VPLAN ==
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This is a [[:Category:VPLAN |VPLAN]] implementation for the [[Diels-Alder Reaction Experimental Design]] problem.
−
 
+
  
 
Differential equations:
 
Differential equations:
Line 158: Line 157:
  
 
</source>
 
</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 14:13, 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=0

Experiment 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=0

Experiment 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
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