Organic Process Research & Development
ARTICLE
’ ASSOCIATED CONTENT
QDsrb
Q
qi
desorbent flow rate mL/min
flow rate mL/min
solid-phase concentration of component i g/L
saturation capacity of component i at the S1 sites at
saturation g/L
S
Supporting Information. This material is available free
b
qS1,i
’ AUTHOR INFORMATION
qS2,i
adsorption of component i at the S2 sites at saturation
g/L
vectors sizes
Corresponding Author
SP,SD
tR,i
tf
retention time of component i min
retention time of the peak front min
retention time of the peak tail min
retention time of component I min
retention time segregating peak front and peak tail min
port switching interval in SMB process min
superficial velocity cm/min
Present Addresses
zEvonik Industries AG, 63457 Hanau, Germany
#Friedrich-Alexander University of Erlangen-Nuremberg, Chair
for Separation Science & Technology, 91058 Erlangen, Germany
tr
tR,i
tf/r
ts
u0
V
column volume mm3
volume of tubings, connectors, etc. mL
wP,wD weighting factors
’ ACKNOWLEDGMENT
Vtube
This work was part of the European Union FP7 Project
‘INTENANT’, funded by Grant Number FP7-NMP2-SL2008-
214129.11 The support is gratefully acknowledged. In addition,
we thank Dr. Jan von Langermann, Jacqueline Kaufmann, Martin
Uxa, and Antje Hofmann for the comprehensive support in the
experimental work.
wf
wr
w1/2,i
xl(R,S)
xl(R)
xeu
empirical factor to describe the peak front
empirical factor to describe the peak tail
width of a peak at half its height of component i min
fraction of the racemic compound
fraction of the (R)-enantiomer
eutectic composition
’ NOMENCLATURE
A
αr
YldB,Extr yield of component i at the extract port, respectively
YldTarget yield of the target component at the extract port
column cross-sectional area mm2
ratio of the solubilities of the stoichiometric compound
and the single enantiomer
z
axial locus in column mm
b1,i
bi-Langmuir model adsorption parameter, site 1, com-
ponent i L/g
bi-Langmuir model adsorption parameter, site 2, com-
ponent i L/g
average concentration of component A at the inlet of
zone 1 g/L
’ REFERENCES
(1) Wirth, M. J. Urol. 2004, 172.
b2,i
(2) Thijs, L. U.S. Pat. Appl. 2003/0073742, 2003.
(3) Tucker, H.; Chesterson, G. J. J. Med. Chem. 1988, 31, 885.
(4) Zazhi, Z. Y. G. Chin. J. Pharm. 2006, 37, 73.
(5) S€or€os, B. WO 01/00608, 2006.
cA,1in
cB,4out average concentration of component B at the outlet of
(6) Ekwuribe, N. N. WO 01/28990, 1999.
zone 4 g/L
(7) James, K. D.; Ekwuribe, N. N. Tetrahedron 2002, 58, 5905.
(8) MDL ISIS, 2.5; Available Chemicals Directory (ACD) commer-
cial catalogue database.
(9) Fujino, A. Tetrahedron Lett. 2007, 48, 979.
(10) Sugai, T.; Ikunaka, M. JP 2008007492, 2008.
(12) Guiochon, G.; Felinger, A.; Shirazi, D. G.; Katti, A. M. Funda-
mentals of Preparative and Nonlinear Chromatography, 2nd ed.; Academic
Press: Boston, 2006.
(13) Chung, S. F.; Wen, C. Y. AICHhE J. 1968, 14, 857–866.
(14) Einstein, A. Ann. Phys. 1905, 17, 549–560.
(15) Antos, D. Doctoral Thesis, Oficyna Wydawnicza Politechniki
Rzszowskiej, Rzesz^ow, Poland, 2003.
c
liquid-phase concentration g/L
concentration maxima of injection profile g/L
direction vector
cmax,f
D
B
Dc
Dm
DL
εT
column diameter mm
molecular diffusion coefficient m2/s
axial dispersion coefficient m2/s
total void fraction
Gj
objective function
HETP height of a theoretical plate mm
enantiomers: 1, (S)-bicalutamide; 2, (R)-bicalutamide
i
BI P,BI D unit vectors of proportional and differential
directions
component
(16) Storti, G.; Mazzotti, M.; Morbidelli, M.; Carra, S. AIChE J.
1993, 39, 471–492.
(17) Lee, J. W.;Wankat, P. C. J. Chromatogr., A 2010, 1217, 3418–3426.
(18) Tan, K. K.; Wang, G.-G.; Hang, C. C.; Hagglund, T. Advances in
PID Control. Springer Verlag: London, 1999.
K
km,i
k00
kΔp
Lc
mass transfer coefficient of component i 1/min
retention factor
pressure drop coefficient bar s/m
column length mm
dimensionless zone flow rates in SMB process
(19) Kaspereit, M., Doctoral Thesis, Otto-von-Guericke-University,
Magdeburg, Germany, 2006.
mj
(20) Kaspereit, M.; Gedicke, K.; Zahn, V.; Mahoney, A. W.; Seidel-
Morgenstern, A. J. Chromatogr., A 2005, 1092, 43–54.
(21) Gedicke, K.; Kaspereit, M.; Beckmann, W.; Budde, U.; Lorenz,
H.; Seidel-Morgenstern, A. Chem. Eng. Res. Des. 2007, 85, 928–936.
(22) Amanullah, M.; Abel, S.; Mazzotti, M. Adsorption 2005, 11,
893–897.
(23) Amanullah, M.; Mazzotti, M. J. Chromatogr. A 2006, 1107, 36–45.
(24) Kaemmerer, H.; Jones, M. J.; Lorenz, H.; Seidel-Morgenstern, A.
Fluid Phase Equilib. 2010, 296, 192–205.
MMin,Rc minimum mass ratio of each component to be recycled
between zone 1 to zone 4
mass of component i to be recycled between zone 1
to zone 4
number of transport plates
Mi,Rc
NTP
Puri,Extr purity of component i at the extract port
PurTarget purity of target component at the extract port
p
pressure bar
341
dx.doi.org/10.1021/op200136z |Org. Process Res. Dev. 2012, 16, 331–342