Developing Grey-Box Dynamic Process Models
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DEVELOPING GREY-BOX DYNAMIC PROCESS MODELS
C. de P ada *, D. Hose**, G. Gu ie ez*, J.L. Pi a ch*
* Depa men o Sys ems Enginee ing and Au oma ic Con ol, Uni e si y o Valladolid
c/ Real de Bu gos s/n. Sede Me gelina EII, 47011, Valladolid, Spain
(e-mails: p ada@au om.u a.es , glo[email p o ec ed].es , jose.pi a ch@au om.u a.es)
** Ins i u e o Enginee ing and Compu a ional Mechanic, Uni e si ä S u ga
P a enwald ing 9, 70569 S u ga , Ge many (e-mail: dominik.hose@i m.uni-s u ga .de)
Abs ac : This pape p esen s a me hodology o de eloping g ey models o p ocess sys ems, ha is,
models ha , being based on undamen al p inciples and laws o na u e, combine hem wi h sub-models
ob ained om expe imen al da a. The me hod ollows wo s eps: he i s one akes ad an age o wha is
known, while he second uses he da a and mixed-in ege op imiza ion algo i hms o iden i y he s uc u e
and pa ame e s o he emaining pa s o he model. The me hod is illus a ed in a challenging bio echno-
logical p ocess: he Ace one-Bu anol-E hanol (ABE) e men a ion p ocess.
Keywo ds: Modelling me hodology, g ey-box models, s uc u e, iden i ica ion, e men a ion p ocess.
1. INTRODUCTION
Qui e o en people say ha modelling is an a , which su ely
is ue. Ne e heless, e e y a equi es an associa ed ech-
nique and de eloping dynamic models o indus ial p ocesses
is no an excep ion. T adi ionally, wo main app oaches ha e
been used: Fi s -p inciples and Da a-based me hodologies.
The o me ies o de elop models o mula ing equa ions
acco ding o physical laws ha a e pe inen o he p ocess
conside ed. Typical o mula ions in he p ocess indus y use
mass and ene gy balances, phase equilib ium, e c. This e-
qui es knowledge o he p ocess and he conce ned laws and
good judgemen in es ablishing hypo hesis ha suppo he
alidi y o he model. Deciding which phenomena and equa-
ions should be inco po a ed in o he model is no easy, as
hey ep esen he comp omise be ween simplici y o use and
ideli y in he ep esen a ion o eali y. The ime needed o
de elop hese models should no be unde es ima ed, bu he
use o a mode n simula ion en i onmen and a ce ain expe i-
ence should acili a e he ask. As physic-chemical laws a e
usually alid unde a wide ange o condi ions, one impo an
ad an age when using hese models e e s o he con idence
hey p o ide and he associa ed ex apola ion capabili ies.
On he opposi e hand, da a based me hods y o disco e he
model ha ela es se e al p ocess a iables by analyzing and
co ela ing se s o expe imen al alues. Then, a model s uc-
u e wi h adjus able pa ame e s is p oposed and he pa ame-
e s can be es ima ed so ha he models ou pu adjus s as well
as possible o he expe imen al da a. He e, a selec ion o he
candida e model s uc u e and he pa ame e es ima ion algo-
i hm a e he key componen s. These ypes o models a e, in
p inciple, easie o o mula e and unde s and, and ha e he
ad an age o being closely ela ed o eali y as hey a e ob-
ained di ec ly om da a, hei main d awback being he
limi ed ex apola ion capabili ies hey ha e ou side he egion
co e ed by he expe imen al da a used in hei de elopmen .
No ice ha , in p ac ice, he i s p inciple models always
inco po a e unknown pa ame e s, hence, when a model o
eali y is p oposed, de eloping i always in ol es a s age o
da a collec ion and adjus men o he model pa ame e s so
ha he model ou pu s i he expe imen al da a, as in (1):
min
,
()−(,,,)
s. .:
=
(,,),
(0)=
=ℎ(,,)
(1)
whe e is he ec o o known manipula ed a iables, x a e
he s a e a iables wi h ini ial alue , a e he p ocess
measu emen s o he ou pu a iables o he model and
ep esen s he model pa ame e s. The dynamic model is de-
sc ibed in e ms o he ec o unc ions (⋅),ℎ(⋅).
In he same way, a p ope selec ion o he model s uc u e in
da a based models implies ce ain knowledge o he in e ac-
ions and phenomena aking place in he p ocess, so ha bo h
me hodologies ha e some poin s in common. The main di -
e ences a e ela ed o which elemen , knowledge o da a
analysis, play he cen al ole.
Choosing one o he o he app oach is dic a ed mainly by he
inal aim and use. The model equi emen s a e di e en , o
ins ance, o ope a o s’ aining han o con olle design. I
he pu pose is using he model o ake decisions abou p o-
cess ope a ion, hen p obably a dynamic op imiza ion p ob-
lem simila o (2) is o be sol ed a egula ime in e als:
min
() s. .: =
(,,), (0)=
=ℎ(,,), (,,)≤0 (2)
whe e is now he ec o o decision a iables, a e he
s a e a iables, he model ou pu s and ep esen s he
model pa ame e s. The dynamic model is again desc ibed in
e ms o he unc ions (⋅),ℎ(⋅), whe eas (⋅) deno es he
p oblem speci ic cons ain s and () is he cos unc ion o
be minimized. Sol ing (2) may in ol e a lo o compu a ion
depending on he size and s uc u e o he model and he
deg ees o eedom.
This o mula ion assumes ha he s uc u e o he model is
co ec and he pa ame e s a e being es ima ed in he igh
way. No mally, a i s p inciples model is p e e able in deci-
sion making, as i may p o ide mo e con idence and a wide
ange o alidi y. Ne e heless, hese assump ions and
expec a ions may ail due o:
The di icul y o model ce ain ela ionships among a i-
ables, due o unknown phenomena, complex ela ion-
ships, impossibili y o measu e ce ain a iables equi ed
o adjus he model pa ame e s, e c.
The compu a ional load associa ed o e y de ailed mod-
els ha makes sol ing (2) imp ac ical
In hese cases, i may be sensible o combine wha is known
wi h ce ain y abou he model, such as equa ions ep esen -
ing mass o ene gy balances, wi h o he ypes o models
ob ained om measu emen s, ep esen ing he mo e di icul
o complex pa s o he p ocess. This esul s in a hyb id mod-
el ha , being a mix u e o “whi e box” i s p inciples and
“black box” sub-models is known as a “g ey box” one. The e
a e many good e iews and publica ions on modelling, bo h
co e ing i s p inciples (Cellie , 1991) and da a based ap-
p oaches (Zou, Li and Zhang, 2017), bu he e is a lack o
li e a u e o he sys ema ic de elopmen o g ey-box ones.
The e o e, his pape p esen s a me hodology o de eloping
g ey-box models, dealing in pa icula wi h he p oblem o
s uc u e iden i ica ion o he black-box elemen s o he mod-
els and discussing he so wa e ools a ailable. The me hod is
illus a ed in a challenging applica ion: he Ace one-Bu anol-
E hanol (ABE) e men a ion p ocess.
The pape is o ganized as ollows: The modelling me hodol-
ogy is explained in Sec ion 2 besides so wa e ools ha help
in hese asks. The ABE p ocess and a p elimina y model a e
desc ibed in Sec ion 3. Then, he g ey-box model o he
ABE p ocess is de eloped in Sec ion 4 oge he wi h some
alida ion esul s. Finally, he pape ends wi h some ema ks.
2. GREY BOX MODELLING
When de eloping i s -p inciple models in he p ocess indus-
y, one may ace si ua ions in which a pa ial se o equa ions
(⋅),ℎ(⋅) is known, as in (2), bu a subse o a iables (,)
is no (o oo complex o model). Howe e , hese ela ions
be ween , and a e equi ed o comple e he model.
=
(,,(,),), =ℎ(,,(,),) (3)
2.1 P oblem o mula ion
Gi en he pa ial model (3), and assuming ha one expe i-
men has been pe o med so ha alues o and a e
a ailable om he p ocess ia any da a-collec ion sys em, he
p oblem can be o mula ed as inding he sub-model (,)
and pa ame e s such ha he esponse o (3) i s he expe -
imen al alues in he bes possible way.
A ypical app oach o he p oblem is p oposing a unc ional
s uc u e o (,), such as =(,,) and, as measu e-
men s o a ely a e accessible, adjus he pa ame e s by
sol ing he ollowing op imiza ion p oblem:
min
,,
()−(,,,)
s. .:
=
(,,(,,),), (0)=
=ℎ(,,(,,),)
(4)
As he ini ially p oposed s uc u e o (⋅) will likely no be
co ec , he i is o be epea ed wi h a modi ied candida e
s uc u e ollowing a ial and e o p ocedu e. This is a ime
consuming p ocedu e wi h no gua an ee o success.
2.2 P oposed modelling me hodology
Ins ead, he ollowing wo-s age app oach can be used.
1. Es ima ion. Va iables a e conside ed as independen
and included in he da a- i ing p oblem (5) as new deci-
sion a iables wi h an app op ia e pa ame e iza ion :
min
,,
()−(,,,)
s. .:
=(,,,), (0)=
=ℎ(,,,), (,,,)≤0
(5)
2. Reg ession. Simula e he model =(,,,) in (5)
o gene a e alues o , using and he es ima ed as
inpu s. Find co ela ions o wi h any and/o , and
o mula e eg ession cons ain s (,). In his way, all
alues a e consis en wi h he emaining model.
Finally, he unc ional (,) is added o he model in o de
o ge he inal exp ession (3).
No e ha addi ional cons ain s (,,,)≤0 ha e been
included in S age 1 o gua an ee ha he alues o o e ime
con o m o physically admissible ones, such as being posi-
i e, la ge han o he a iables, e c.
The pa ame e iza ion ,=1,…, can be simple (cons an
alues o e a se o disc e e- ime in e als), o mo e complex
ones based on colloca ion poin s, acco ding o he p oblem
na u e and he expec ed ime e olu ion o hese a iables.
Addi ionally, he conside a ion o as independen a iables
adds ex a deg ees o eedom ha acili a e he model i o
he expe imen al alues. No e ha (5) could be o mula ed
al e na i ely as a dynamic da a econcilia ion p oblem wi h
obus es ima o s (Hube , 2014) ins ead o he quad a ic cos ,
i enough measu emen s we e a ailable o achie e enough
edundancy.
Sol ing (5) p o ides a se o poin s cohe en wi h bo h he
expe imen al da a and he model. The esolu ion can be done
ei he ia sequen ial o simul aneous app oaches: Depending
on he p oblem s uc u e, a combina ion o a dynamic simula-
o and an op imiza ion algo i hm ( SQP like SNOPT o an
e olu iona y one) can be a good choice, bu mode n op imi-
za ion en i onmen s like CasADi (Ande sson e al., 2012) o
Pyomo, (Ha e al., 2012) o e excellen ea u es, including
au oma ic disc e iza ion by o hogonal colloca ion and au o-
ma ic di e en ia ion, ha acili a e he use o e icien in e i-
o poin codes such as IPOPT in a simul aneous app oach.
The e a e di e en ways o app oach he p oblem in S age 2.
Among hem, an op ion is o pos ula e a lexible gene al
s uc u e wi h, o ins ance, a neu al ne wo k adjus ing i s
pa ame e s la e on o i he , and alues. Ne e heless,
his app oach has some d awbacks: on he one hand, i does
no ake ad an age o he pa ial knowledge ha one may
ha e abou and, on he o he hand, i does no gua an ee a
easible ex apola ion when akes alues ou side he
es ima ed ange, unless ex a condi ions a e imposed. A good
al e na i e is o use mixed-in ege op imiza ion and global
me hods o selec among a combina ion o use -p o ided
po en ial basis unc ions, hose ha p o ide he bes i aking
in o accoun possible ex a cons ain s o gua an ee physical
cohe ence. Algeb aic modelling en i onmen s such as
ALAMO (Cozad, Sahinidis and Mille 2014; 2015) o e e y
good suppo o he i ing ask using global MINLP sol e s
like BARON and adap i e-sampling p ocedu es. In he nex
sec ion, his me hodology is applied o a challenging bio-
echnological p ocess.
3. THE ABE PROCESS
The Ace one-Bu anol-E hanol (ABE) e men a ion p ocess
has expe ienced a ise in popula i y due o i s possibili ies in
he p oduc ion o bio-bu anol which is being used in a lo o
p oduc s such as bio uels (Mayank e al. 2013). In ou case,
he ABE ins alla ion is a ba ch p ocess (Hose e al. 2016), i.e.
i is ca ied ou in a closed e men e wi hou any inpu o
ou pu low, he cells consume he subs a e and gene a e he
use ul p oduc s. Only he empe a u e and he pH a e con-
olled a ound a ce ain alue. Howe e , o he o ms such as
he con inuous e men a ion a e possible. The ac ual e men -
e used in his s udy can be seen in Figu e 1.
Figu e 1. ABE e men e wi h con ol equipmen .
Ini ially, he subs a e, in his case glucose, is gi en in o he
eac o along wi h he so-called inoculum, he mic obiologi-
cal s a ing cul u e, in his case Clos idium ace obu ylicum.
A e a sho lag phase in which he bac e ia adjus hem-
sel es o he new en i onmen , he acid p oduc ion phase o
acidogenesis s a s in which mainly ace a e, bu y a e and
lac a e a e p oduced. This phase is ypically indica ed by a
apid g ow h o cells un il he pH has d opped om abou 7
o 4.5. In a second s ep, he sol en ogenesis, he cell numbe
s alls o e en dec eases and he p oduc ion o he sol en s
s a s, ha is ace one, bu anol and e hanol, which is he main
aim o he p ocess. The empe a u e is usually main ained
cons an a i s op imum which lies be ween 30 and 40ºC
h oughou he whole p ocess. Fo u he insigh in o he
biochemis y o ABE e men a ion one can e e o Hube ,
Ande sch and Go schalk (1982).
3.1 P ocess model
The impo an ea u es o be modelled ha e been iden i ied
as: cell g ow h and dea h dynamics, subs a e u iliza ion o
he acid, sol en p oduc ion and cell main enance, as well as
inhibi ion mechanisms due o an excess o bo h subs a e and
sol en s in he b o h. A mac oscopic model is employed o
cap u e he quan i a i e p ocess dynamics wi h he pu pose o
de e mining he bes ope a ing condi ions la e on. The use o
mic oscopic models based on me abolic pa hways has no
been conside ed as hey a e no adequa e o he inal use o
he models in economic op imiza ion o he p ocess ope a-
ion.
The nomencla u e o he concen a ions (in g/L) is gi en by
X: Biomass (C. ace obu ylicum), S: Subs a e (Glucose), Pa:
Sol en (Ace one), Pb: Sol en (Bu anol) and Pe: Sol en
(E hanol). Conside ing ha he olume is sensibly cons an ,
one possible model ha cap u es he ea u es explained abo e
and should, he e o e, be able o ep oduce he gene al ajec-
o ies o expe imen al da a is (6):
XYPXYPXYP
mXXYSXXX
xeexbbxaa
xs
, ,
, ,(6)
Basically he model is composed o mass balances o cells,
subs a e and p oduc s, ha we know mus be sa is ied. The
accumula ion o cells pe ime uni is equal o he di e ence
be ween in low and ou low o cells (which a e ze o as he
p ocess ope a es in ba ch mode), he a e o g ow h and he
a e o cell dea h (bo h assumed p opo ional o he numbe
o cells). Simila a gumen s a e used o de i e he o he equa-
ions. The model employs a g ow h e m µ, dea h and
main enance coe icien s,
and , as well as he a es Yxs,
Yxa, Yxb and Yxe indica ing how subs a e is con e ed in o
cells, and p oduc s a e gene a ed as a esul o he cell ac i i-
y. Ne e heless, i is also well known ha he g ow h e m µ
is no cons an , bu depends on se e al ac o s and he ela-
ion among hem, µ = (X, S, Pa, Pb, Pe), is no well known.
Se e al models o µ ha e been p oposed in he li e a u e,
some o which a e shown in Table 1 (Heijnen and Romain,
1995; Yang and Tsao, 1994). No e, ha he o iginal model by
Monod is by a he mos popula due o i s simplici y and he
ac ha i o en su ices o ep oduce he gene al beha io o
cell g ow h acco ding o he Michaelis-Men en kine ics. The
o he models a e o en ex ensions o he one by Monod.
3.2 Di ec pa ame e es ima ion
Fo iden i ica ion and alida ion pu poses wo da a se s we e
p o ided. The co esponding expe imen s we e ca ied ou in
he ba ch e men e o Figu e 1 wi h glucose as he subs a e
and he bac e ia C. ace obu ylicum as biomass. Measu e-
men s o concen a ions o biomass, subs a e and he h ee
p oduc s we e aken o e he ba ch cycle. Un o una ely, no
in o ma ion abou he empe a u e o pH du ing he expe i-
men s we e p o ided making i impossible o include hese
a iables in he models.
The adi ional app oach o pa ame e es ima ion chooses a
model s uc u e o µ and hen sol es (4) o es ima e he
model pa ame e s. In ou case, as an example, we ha e cho-
sen he Hinshelwood model om Table 1, including an inhib-
i o y e ec by bu anol, as in (7):
=
(1−) (7)
The ini ial alue o he concen a ions is assumed o be
known om measu emen s. The coe icien s
and , as well
as a es Yxs, Yxa , Yxb and Yxe and pa ame e s , Kµ, Kb, a e
unknown decision a iables o (4). As he concen a ions and
pa ame e s should be posi i e, he cons ain s y = [X, S, Pa,
Pb, Pe] ≥ 0, p = [
, , Yxs, Yxa , Yxb, Yxe , µ0, Kµ ,Kb] ≥ 0 a e
imposed o he dynamic op imiza ion, as well as no maliza-
ion ac o s in he objec i e unc ion.
A sequen ial app oach, connec ing he dynamic simula ion o
(6)-(7) wi h a nonlinea op imiza ion (NLP) algo i hm is
o en used o his ype o pa ame e es ima ion (Boada e al.,
2016). He e, he gene ic algo i hm p o ided in MATLAB
was used o sol e he op imal i ing o he expe imen al da a.
No e ha he p oblem is highly non-linea and non-con ex,
which jus i ies he use o he e olu iona y algo i hm o a oid
local minima in spi e o he highe compu a ion imes. The
esul s compa ing he model esponse (line) and he expe i-
men al da a (do s) can be seen in Figu e 2a. The cell dynam-
ics a e app oxima ed easonably well and, al hough he sub-
s a e u iliza ion yields some e o , his i ing could be con-
side ed adequa e. No e ha he aining se on he le p e-
sen s some w ong da a, because he concen a ions o bu anol
and e hanol canno dec ease o e ime.
Un o una ely, he model alida ion depic ed in Figu e 2b
demons a es how di icul inding uni e sal models ha
apply in he gene al case a e, as hey do no i a all in di e -
en condi ions.
a) Response agains he iden i ica ion da ase .
b) Response agains he alida ion da ase .
Figu e 2. Model esponse (line) and expe imen al da a (do s).
The unde lying p oblem wi h his echnique is ha a model
o he cellula g ow h µ has o be chosen in ad ance which
may no apply in his pa icula case. Howe e , because all
models p o ided in Table 1 a e heu is ic, hey canno gene -
ally be conside ed applicable and ha e o be chosen ca e ully.
4 GREY MODEL OF THE ABE PROCESS
Nex , he me hodology p esen ed in Sec ion 2 will be used o
de i e a g ey model o he ABE p ocess. O he success ul
applica ions a e epo ed in, o ins ance, Pi a ch e al. (2017).
4.1 Es ima ion wi h ee g ow h a e
In he i s s age, he g ow h a e µ is pa ame e ized o e ime
and i s alues a e conside ed as independen coe icien s o
be es ima ed besides he o he model pa ame e s using a
o mula ion simila o (5). De ining 1 disc e iza ion
poin s , =1,…,, a common pa ame e iza ion is
()=,∈, as in Figu e 3.
Table 1. Se e al models o µ. In he model by Yang, Paa
deno es ace a e, Pba deno es bu y a e and Pl deno es lac a e.
Model
Monod
Teissie
1−
Haldane
Hinshelwood
1−
∈(,,,,)
Yang
1−
−
−
−
⋅
−
⋅
−
5.6−
1.6
Figu e 3. A ze o-o de pa ame e iza ion o ().
The es ima ion p oblem can hen be o mula ed as ollows:
0][
,0],,,,[
],,[,)( ,
, ,
, , :s. .
)()()()(min
1
1
2
1
,
xexbxaxs
eba
iiixee
xbbxaa
xs
N
i
i
N
i
imi
T
imi
p
, Y , Y, Yλ , m,Yp
PPPSXy
XYP
XYPXYP
mXXYSXXX
y yW y y
i
(8)
Wi h Δ deno ing changes o e consecu i e ime ins an s.
No e ha , in addi ion o he posi i e cons ain s on he con-
cen a ions and pa ame e s, a Tikhono egula iza ion
e m has been added o he quad a ic objec i e, penalizing he
changes o e ime o , so ha inc easing o dec easing he
weigh ing ac o
we can a ou mo e smoo h e olu ions o
gi e mo e eedom o i he expe imen al da a ym. In he
objec i e unc ion W is a no maliza ion ma ix ha can also
be used o balance he quali y o he adjus men among he
componen s o he ec o y. No e also ha , in spi e o he
la ge numbe o pa ame e s o be es ima ed, he s uc u e o
(8) is now a mo e simple, and he p oblem can be ecas as
a quad a ic p og amming one.
Figu e 4. Compa ison o he model esponses and expe i-
men al da a (do s) o he biomass, subs a e and p oduc s.
Uppe le co ne in do s: es ima ed alues o µi -
.
The solu ion o a ac o
= 1000 can be seen in Table 2 and
Figu e 4, which also shows he ime e olu ion o he model
ou pu besides he expe imen al da a o he biomass, sub-
s a e and p oduc s. The i is as good as o be e han he
one displayed in Figu e 2a. In addi ion, he igu e shows in
do s he ime e olu ion o he es ima ed alues o he e m
µ( ) -
, deno ed by x.
Table 2: Values o he es ima ed model pa ame e s.
Pa ame e Value Pa ame e Value
0.008 Y
xa
2.625
0.106 Y
xb
6.869
Y
xs
19.224 Y
xe
0.458
4.1 Es ima ion o he g ow h a e wi h ALAMO
In o de o comple e he model, a unc ional ela ion =
(,,,,) has o be ound. This can be done using he
es ima ed alues o µ, µi, oge he wi h he ones o he o he
a iables ob ained by simula ion. Fo ins ance, he ones de-
pic ed in Figu e 4, which a e consis en wi h he whi e model.
Fo his ask, ALAMO (Au oma ic Lea ning o Algeb aic
MOdels) has p o en o be a use ul ool o ge algeb aic su o-
ga e models om gi en da a se s, (Cozad, Sahinidis and
Mille , 2014). Fo his pu pose, i p o ides some s anda d
basis unc ions, such as monomials, loga i hms o exponen-
ials, which can be combined. Ne e heless, in his con ex ,
i s s eng hs lie in he possibili y o including use de ined
basis unc ions as well as cons ain s gua an eeing physical
sense o he es ima ed unc ional, e en ou side he ange o
he expe imen al da a. ALAMO au oma ically picks he mo e
sui able basis unc ions h ough a mixed-in ege op imiza-
ion, e ining he solu ion wi h adap i e sampling in he e-
gions whe e he model p esen s la ge e o s.
In o de o selec he basis unc ions, no ice ha we can d op
he dependency on X, as he model (6) al eady includes he
e m µX. A he same ime, i su ices o le µ depend on S
and only one p oduc , e.g. Pb, as he o he ones a e p opo -
ional o i . Then, in addi ion o he s anda d basis unc ions
o ALAMO, wo use -de ined ones a e included in he lis :
bbs
KP
S
KS
S
/1
,
/1
(9)
The op imiza ion p oblem o be sol ed is gi en by (10),
whe e he combina ion o basis unc ion i ha bes i s he
alues µi is selec ed by he bina y a iables wj. s ands o
an allowed ange o he
pa ame e s and l is he maximum
numbe o basis unc ions allowed in he solu ion.
]1,0[
,...1
:s. . ),(min
1
1
2
1
,
j
M
j
j
j
up
jj
low
N
i
M
j
biijji
w
wlw
Mjww
PS
jj
(10)
The p oblem is sol ed using he BARON code and he solu-
ion ob ained is gi en below.
042.14/1
0095.0460
300
7.3
b
b
P
S
SP
S
S
(11)
Top le pic u e in Figu e 5a depic s he esul s o he i
compa ing he alues o µi wi h he app oxima ion (11). This
exp ession is hen inco po a ed in o (6) o ge he inal g ey-
box model below.
a) Fi o he aining da ase . Top le : i o he g ow h a e.
b) Response agains he alida ion da ase .
Figu e 5. Fi o he g ey-box model o he expe imen al da a.
042.14/1
0095.0460
300
7.3
458.0869.6625.2
106.0224.19
008.0
b
b
eba
P
S
SP
S
S
XPXPXP
XXS
XXX
(12)
The model ou pu is compa ed o expe imen al aining and
alida ion da ase s in Figu e 5, showing a good ag eemen . I
becomes e iden ha he eliabili y o he simula ion is high-
ly dependen on he µ-model accu acy, since a small e o in
he app oxima ion by ALAMO s ill leads o some e o .
Compa ing Figu es 2b wi h 5b, he p oposed app oach yields
much be e (al hough no pe ec ) i s. No e ha , as was
al eady men ioned, some expe imen al da a a e no eliable.
5 CONCLUSIONS
A me hodology o he de elopmen o g ey-box models,
combining i s p inciples and da a d i en models, has been
p esen ed and es ed success ully. I s s eng hs, compa ed o
adi ional app oaches, a e ha ewe assump ions abou he
model ha e o be made, lea ing addi ional deg ees o ee-
dom. Hence, esul ing op imiza ion p oblems a e handie : he
compu a ional cos is lowe due o he decomposi ion o he
op imiza ion in wo s eps.
Fu he ad an ages in he demons a ion example include ha
he cellula g ow h e m is ob ained wi hou a ial-and-e o
p ocedu e.
ACKNOWLEDGMENT
The au ho s wish o hank he Chemical Enginee ing DPT. o
UVa o he expe imen al da a p o ided as well as o he EU
and he Spanish MINECO/FEDER o hei suppo h ough
he p ojec s H2020-SPIRE CoP o (G an Ag eemen nº
723575) and INOPTCON (DPI2015-70975).
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