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

Revision as of 13:32, 1 February 2016

VPLAN

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

</source>

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

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

Revision as of 13:32, 1 February 2016

VPLAN

Navigation menu

Personal tools

Namespaces

Variants

Views

More

Search

Navigation

Support

Tools