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of batch crysta.llization are its small capital invest- strategies are cited b:.y Rohani and Dourne (1990).
ment and its flexibility. The disadvantages include Different methods have been used to calculate the
poor reproducibility and modcling uncertainty. optimal cooling path, and the~e range {roIn siInpli-
fled assumptions on the profiles to applicabons of
To describe these systenl,s: batch crystallization
the maximunl principle (Jones~ 1974; i\jinkya and
models usually incorpora.te the mass., energy and
Ray~ 1974). I\elorc recently, \Vang (1990) consid-
population balances a.s well as the moment cqua~
ered errlpiricaJ and IIlornent equations to establish
tions (Randolph and Larson , 1962 1 1988; Ivlers-
the Hamiltonian function and adjoint equations.
manu, 1994). These models aHow~ calculation of
The resulting optirnization pl'oblern \vas solved b.y
the mean crystal si7:e and crystal si:iJe dist.ribu-
Htrial and error" and t,he solution \vas "i/erified \vith
tion. In industrial applications, the gro"'~th and
satisfactory results in the la.boratory. 1\.150, most
nucleation rates are ahnost always expressed \vith
of these investigators have v.rorked witb innrga,lIic
empirical equations, ~~hich require a certain level
solutions, such as potassium sulfate and pot,as-
of simplification. The output variables are usually
siunl chloride dissolved in "vater. These processes
controlled by manipulating the tenlperature of the
do not have significant heat effects and a.re rea-
solution (cooling mode)~
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Copyright 1999 IFAC ISBN: 0 08 043248 4
DYNAMIC MODELING AND OPTIMIZATION OF BATCH CRYSTAL... 14th World Congress of IFAC
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Copyright 1999 IFAC ISBN: 0 08 043248 4
DYNAMIC MODELING AND OPTIMIZATION OF BATCH CRYSTAL... 14th World Congress of IFAC
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Copyright 1999 IFAC ISBN: 0 08 043248 4
DYNAMIC MODELING AND OPTIMIZATION OF BATCH CRYSTAL... 14th World Congress ofIFAC
-The algebraic variahles y :::::; [Yl; Y2]7' and control \v here 9 is the gradient of f, B denotes the I-Iessian
variablcsu. ~ [Ul ~ '1.[.2, U3J T arp. approximated by: of the Lagrangian function, or its quasi~Ne\'vton
approximation, and
The step for the dependent variables Pw is ob- 42.<5% (\v/"\v) '\vhich is equiva.lent to 1.0 kg/Cl of
tained by solving sohr€nt). Here the volume of loaded solution is
1500 1 and t.he final produ~t yield is 1320 kg. The
(25) concentration of the remaining solution is equa.l
to that of the ruother liquor.
where vVk = [~J, Ch = C(Xk), A k = rl(xk) is the L"sing these compositions~ \'~le no"v consider the
addition of mother liquor feed, called Case rI.
m x n J aco bian of the constraints at. i teratio]) k~
\"'hen Inother liquor is a.dded during operation)
\vhich has be partitioned a.s -
the initial conditions include a solvent. volurne of
_4.(x) == [C(.'h) 1V(x)] (26) 118.4 1 and a loaded ",veight of 1600 kg. In this
\vay, Casps I and 11 have the sarnc iultial reacted
solutions and the saUle yields. }\ schematic of the
and the In x 'rn basis lna.trix CC:];) is nonsingular.
crystaHizer "\vith mot.her liquor addition is sho\vTl
The step for the independent variables PV is then in Figure 1.
obtained by solving the Quadratic Prograrnrning
Solving the t\VO dynamic optim17.. ation pToblenu,;;
(QP) Problem
leads to very similar results. In (;ase I the optinlal
min (VkT 9k + l/kT Bk Vli"kPlr\l)T PV mean crysta.l size (L".J is 4.27 n1ffi while, Case
Plr- ERn-'l71. [I has an optimal mean size of 4.30 nlill. This
rneans. that the addition of lnother liquor during
+21 PvT (T )
1fkBkt7k PV (2"7) operation lea.ds to a small inlprovelnent in the
lllcan size of the product,about 1 %. In Fig. 2 Vole
s.t. xL :s 1fkPl.,· + xk + Vf1kPW S X
U
(28) present the optirnal profiles for the three control
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Copyright 1999 IFAC ISBN: 0 08 043248 4
DYNAMIC MODELING AND OPTIMIZATION OF BATCH CRYSTAL... 14th World Congress of IFAC
Tlrne{~rl
----, I
I Fig. 3. Profiles of Supercooling Degree
~~~~~~------~-- - - -- --- --
I
:\~-~- -~----
4'J ~:--'t=~ • ~,....... 1
~ ~ ;S;::::::c~,.,.,--
• .~ I
"'.. --.-~~, ~ ~fJ
i.
)_"-4-\ ---,----~-r-- - J i ! 3;'
10 .~ 2t:1
~ernn I
_ _ _ ,-Ternp.~ollng(C)--'",,:,-Il,I!~L,FJoW[~r'------=-M.1..T!!!":!!'·(;L j
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Copyright 1999 IFAC ISBN: 0 08 043248 4
DYNAMIC MODELING AND OPTIMIZATION OF BATCH CRYSTAL... 14th World Congress ofIFAC
However~ this inlprovcment is very siight and the L.T."DynoPC User~s Guide)" Computer Aided
optimal so]utioIJ is therefore fairly insensitive to Process Design Laboratory~ Carncgic IVlelLon uni-
the feed addition rate and temperature of the versity: Pittsburgh: PA, 1997.
added lllother liquor. 'I'his strongly supports t.he Lang~ )1"_D, Han, H.; Xiao, X-H.; \'Vu, X-R .. "Simulation:
optirnality of C,asc I a.nd shows that both strate-
OptinlizatioIl and . .t \.utornatic IrIlplenlentation of a.
gies a.chieve nearly the saUle result, with nearly
Batch Cryst.allization Prneess/~: Jiang~u Cherni-
identical temperature a.nd supercooling profiles~
cal Research Institute: Jiangsll 1994.T
.L';.evertheless~ the addition of mother liquor Inay
be required in order to maintain the dilution level Lang) Y~-D~ Xiu, \\l-J.; Han~ H. '~Simulation and
in the crystallizeI'. Optinlization of Industria.l Crystallizer Opera-
tions:" Jiangsll Huagong. 1995, 23 (6)~ 4.3.
~loreover~ this study and our previous \vork on
industrial batch crystallization sho"" that combi- rv1ayrhofer l B,; I\}'vlt: J. ~'Prograrn111ed C;ooling of
nation of dynanlic optimization algorithms with Batch Crystallizers,~l Cheln, Eng. Process. 1988,
crystallization rnodels leads to an effective and ef- 24) 217.
ficient approach to solve optimal control problerns
1vlersIuanll, a.\.. "Supersaturation and Nucleation;; .
in batch crystallization, both in industriaJ and
'fransIChemE. 1996, 74 Part ~A.) 812.
acadenlic practice. T'his study also demonstrates
the flexible nature of dynamic optirnization for ~\lullin, J.\J"V. "Crystallizationj); 3rd Edition Butr.er~~orth
batch crystallization proce~ses. No nlatter hov.,.· Heinen1ann: London, 1993.
complicated the process or troublesome the char-
N"yvlt et aL "The Kinetics of Industrial Crystal-
acteristics of the chemical species are, once the
lization~'.
Elsevier: 1\e"\\T x"ork 1 1985.
Inodel of the batch crystallization is available, its
optinlal control policies can be obtained nurneri- Randolph A1D.; Larsoll, ~1. . 4. ... ~~~rheory of Partic-
eally 'Nith the above approach. ulate Processes". 2nd Edition. .c\.cadeu1ic Press:
;\ e\\' '~{ork~ 1988.
Ackno,"v ledgelllents
Sheik, .A.. "l:'-.; Jones~ A... G. "Crystallization Pro-
}'unding from China Schola.rship Council~ the
cess Optimization via a Revised :\lachine Learn-
lnenlber cOlnpanics of the COlnputer .A.ided De-
ing lvlethodology'; ..A.lChE JournaL 1997, 43 (6);
sign Consort.ium and the Universjdad Naeional
1448.
A.utonoma de IVlexieo is gratefully ac.knowledged.
Tanartkit, P.; Biegler, L.'T. ;'Stable Decomposi-
References
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l\jinkya, M. B.~ and W. H. Ray, ~'On the Optilnal R£s. 1995, 34, 1253.
Operation of Crystallization Processes!~' Chcm.
'Tavare, N. S., '~Industrial Crystallization: Process
E,ng. COInrn., 1974~ 1, p. 181
Sinlulation Analysis and Design~;; Plenu111 Press;
Bacler, G.; Ascher, 1]., "A Nev..~ Basis Implemen- Ne,,~ Y"ork~ 1995.
tation for Ivlixed Order Boundary y"alue ODE
Tcrnet., D.; Biegler, L.1-'. '~Recent ImproV81ncnts
Solver~" SIA.Jv! J. Sei. COIIlput. 1987~ 8 (4)r 483.
to a lVlultiplier-Free R,educed Hessian Quadratic
Cervantes~ .c\.; B iegl er , L.T." Large-Scale DAE Programming ~~Igorithm'~ :Comp. Chem. Eng.1998,
Optirnization using a Sirnultaneous NLP Fornlu- (7/8), 963.
lation". l\IChE Journal. 1998~ 44 (5), 10.38.
\\rang, J. K. ~ "Optimal Scheduling of Batch Crys-
Cuthrell , J. E.~ Biegler~
L.T. (( On the Opr,inliza- t.allization Huagong Xueba.o~ 1990 4~ 5.
j7
,
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