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Abstract: In this paper, the problem of optimal crude oil procurement combined with refinery
operations is addressed to obtain an global optimal solution. Rather than the traditional
planning and scheduling methodologies relying on linear programming (LP), a nonlinear model
using Geddes fractional index (FI) is employed to describe the behavior of the crude distillation
unit (CDU) and integrated with the entire plant-wide model. Although this representation
provides more accurate prediction of the real production of the refinery than the conventional
fixed yield approach, its global optimization becomes more difficult owing to the existence of
many nonlinear, non-convex terms. To overcome this challenge, advanced interval reduction
techniques are developed and combined with state-of-the-art global optimization software to
obtain an global optimal solution more efficiently. The optimization and comparison are
conducted to show the effectiveness of the proposed approach.
between upper and lower bounds is smaller than a pre- (VR) for future processing. A CDU model developed
defined threshold , then we say an global optimal by Alattas et al. (2011) is adopted and revised in this
solution is identified. State-of-the-art commercial soft- paper to calculate the weight fraction of each cut except
ware, BARON, by Tawarmalani and Sahinidis (2005), LG and RG due to the lack of light end data (Fig. 2).
is based on the branch-and-reduce method. If the con- Although there are actually thousands of molecules in the
straints and objective function are convex, the outer ap- crude oil, we usually group the molecules with similar
proximation method presented by Duran and Grossmann properties to generate a much smaller number of so-called
(1986) can reach the global optimum. This has been pseudo-components for design and optimization purposes.
extended to nonconvex constraints and objective func- In each cut, some pseudo-components will be distributed
tion by Kesavan et al. (2004). Recently developed soft- into distillate and bottoms. The distillate part will go to
ware, ANTIGONE, by Misener and Floudas (2014), is the higher trays for further separation and the bottoms
able to detect special structures of the formulation, such part is the output of the CDU. Thus, we denote the mole
as reformulation-linearization technique (RLT) equations, fraction of ith pseudo-component as xi . Its distribution in
convexity/concavity, edge-convexity/edge-concavity, BB the distillate and bottoms are represented by xdis,i and
relaxations introduced by Androulakis et al. (1995), term- xbot,i , respectively.
specific under-estimators, and use them in the branch-
and-cut procedure. Even though these cutting-edge global P d is,LN
optimization techniques have already gained great success,
P d is,H N
we need to point out that a problem specific preprocessing LN
procedure is still often necessary to speed up the solution P d is,K E
process. Through case studies, we noticed that the variable HN
P d is,G O
bounding step is highly important for global optimization P b o t,LN
software because the convex relaxation gap is dependent P d is,V G O
KE
on the size of variable intervals. In fact, by using feasibility P b o t,H N
GO
and optimality based interval reduction methods proposed P d is,V R P b o t,K E
in this paper, both the solution gap and solution time can VG O
be decreased considerably. C ru d e P b o t,G O
VR
The paper is organized as follows: the nonlinear represen- P b o t,V G O
tation of the refinery consisting of a FI model and a pooling P b o t,V R
model is built in Section 2; the interval of variables derived
from constraint propagation, feasibility based interval re- Fig. 2. The separation process.
duction (FIR) and optimality based interval reduction Geddes (1958) derived the relationship between compo-
(OIR) are presented in Section 3; the optimization results nent composition ratio versus relative volatility on a loga-
for a simplified refinery with FI model are given in Section rithmic scale as straight lines and the slope of these lines
4; the paper ends with conclusions and remarks. is named the fractionation index (FI), which can be calcu-
lated from column tests. Moreover, the TBP data analysis
2. REFINERY MODEL for FI evaluation was conducted on the performance data
from three commercial units, Gilbert et al. (1966). The
2.1 CDU Model resulting Thiele Geddes method for component i is
xdis,i xdis,o
B LG
= (i,o )F I , (1)
RG R EF IN ER Y
F UEL
LN xbot,i xbot,o
RG
LG C4
LN
where subscript o represents the reference component
LN
RG
IS O P G 98
IM P
P G98
and i,o is the relative volatility. Further assume that
LP G
B IS O M E R IS ATIO N
&
ES 95 in cut j, we have cut point temperature Tj , relative
HN
B
R EF O R M ER
R 95 R 95
E S 95
volatility j,i,o (Tj ) and equilibrium constant Kj,i (Tj ),
R 100 R 100
C R UD E 1~4
CN
IM P
then according to Jakob (1971), we can replace the relative
A TM
F1
OR
volatility in (1) by equilibrium constant for simplification.
D IS T KE
RG
F2
IM P
Jet
F uel As a result, the FI equation is:
GO n
xdis,j,i F I
D E S _GO n
= Kj,i (Tj ) . (2)
RG
D E S ULP HUR IS ATIO N AGO
xbot,j,i
AGO
LP G D E S _C GO
V GO
IM P
B
C R A C K ER CN
C GO
B
It is worthwhile to note that the FI of a pseudo-component
V AC
D IS T
may change if the cut point temperature varies. Specifi-
VRn
HF
IM P
HF O cally, we have
Fig. 1. A simplified refinery model flow chart in Favennec F Ir,j if ITj 6 T bi < Tj
(2001). FI =
F Is,j if ETj > T bi > Tj
A simplified refinery flow chart is used in this paper and where F Ir,j and F Is,j are two different FI parameters
for the cut j; T bi is the true boiling point temperature
shown in Fig. 1. In the refining process, the crude oil of that pseudo-component; ITj and ETj are initial and
flows into the distillation and is separated into several end boiling points for the cut j. If the true boiling point
cuts including refinery gas (RG), liquefied gas (LG), light of a pseudo-component is smaller than ITj , then this
naphtha (LN), heavy naphtha (HN), kerosine (KE), gas component will only exist in the overhead and if the true
oil (GO), vacuum gas oil (VGO) and vacuum residue boiling point of a pseudo-component is larger than ETj ,
2
Copyright 2015 IFAC 206
IFAC ADCHEM 2015
June 7-10, 2015, Whistler, British Columbia, Canada
then this component will only exist in the bottoms. Here V Pi (T rj,i ) = 2 (T rj,i )2 + 1 T rj,i + 0 (12)
we assume that the interval Uj := [ITj , ETj ] does not
overlap between the cuts. This implies that a pseudo- where T rj,i is the reduced temperature defined by the
component will only distribute into bottoms and distillate ratio of cut point temperature and critical temperature
at one cut and it will be solely gas or liquid at other cuts. of pseudo-component i: Tj /T ci . When modeling, the true
Moreover, we restrict the cut point temperature within
a sub-domain of Uj , namely, Tj j := [T j , T j ] Uj , 4
such that there is only one pseudo-component for each State equation data
Approximation data
cut whose FI parameter cannot be determined in advance. 3.5
cut j and pseudo-component i satisfying T bi Uj , we Fig. 3. The comparison of state equation data and
have its quadratic function approximation for different
Ni = Pdis,j xdis,j,i + Pbot,j xbot,j,i , (6) pseudo-components.
X X
Pbot,j = Pbot,j xbot,j,i + Pdis,j1 xdis,j1,i ,
boiling point (TBP) data from the crude oil assay is used
i:T bi Uj i:T bi Uj1
as the input to ASPEN to generate the pseudo-components
(7)
X X and their parameters T ci , Mi , T bi and Ni .
Pdis,j = Pdis,j xdis,j,i + Ni , (8)
i:T bi Uj i:T bi <ITj
X 2.2 Pooling Process
Ni = 1, (9)
i Once the yield fractions are obtained, we can follow Faven-
where Ni is the mole number of the pseudo-component i nec (2001) to write linear equations for mass balance,
in the feed and we can only consider 1 mole crude input capacity limitation, demand, importation, quality con-
for modeling purposes. Pdis,j and Pbot,j are the total mole straints and so on. However, we notice that at least two
number of cut j in distillate and bottoms, respectively. factors will make the problem more complex. First, the LG
Given the mole fraction, we can calculate the weight Wj produced from the CDU, reformer and cracker are mixed
of each cut: in the pipeline and distributed to the different gasoline
X X
Wj = Pbot,j xbot,j,i Mi + Pdis,j1 xdis,j1,i0 Mi0 , tanks PG98 and ES95. Second, the cracker can work in two
i:T bi Uj i0 :T bi0 Uj1 production modes: Mogas and AGO. The products of these
two modes are mixed and distributed to the desulfurization
where j Cut = {LN, HN, KE, GO, V GO, V R} and the unit, HGO and HF tanks. This mixing and distributing
yield weight fraction Yj is: of flows is called pooling in the refinery model and this
process will introduce bilinear terms in the final quality
X
Yj = W j / Ni Mi (10)
i
expressions even under linear mixing rules.
where Mi is the molecular weight of pseudo-component i. Let H denote the flow, f denote the flow fraction, q
The remainder work of CDU modeling is to write equations denote the known property of inflow and q denote the
for the equilibrium constant Kj,i . Assuming ideal behavior unknown property of outflow. Here we employ the classical
and according to Raoults law: pq-formulation proposed by Tawarmalani and Sahinidis
V Pi (Tj )
(2002) to model this pooling process. Suppose that there
Kj,i = (11) are I inflows, then we have
P
I
where V Pi (Tj ) is the vapor pressure which can be cal- X
fn = 1, (13)
culated according to the state equation proposed by Twu
n=1
et al. (1994) and P is the columns pressure. However,
I
note that this state equation is an exponential function X
with high order signomial terms, which is very difficult Hm fn qn = qm Hm , m (14)
to handle with current global optimization software, thus n=1
we use the quadratic function in (12) to approximate the I
X
original state equation. The parameters 0 , 1 , 2 are esti- H m fn = H m , m (15)
mated by using least squares to fit the data generated by n=1
the state equation. This approximation is accurate enough
because the decision variable Tj is only within a small where n is the subscript of inflow and m is the subscript
interval instead of the entire temperature domain. The of outflow. Even though (15) is redundant in the nonlinear
approximation can be verified by Fig. 3. model, it is very useful to tighten the convex relaxation of
the model.
3
Copyright 2015 IFAC 207
IFAC ADCHEM 2015
June 7-10, 2015, Whistler, British Columbia, Canada
2.3 Sulfur Model for Fluid Catalytic Cracker unit capacity may not be tight enough to yield a tight re-
laxation. Thus, in this paper, we mainly consider three ap-
One of the most important qualities of refinery products is proaches for interval reduction, including interval analysis
the sulfur concentration. Hence, it is worth constructing a (IA), feasibility-based interval reduction and optimality-
more accurate sulfur model to characterize the impact of based interval reduction, to speed up the algorithm.
sulfur in the crude on the final products. Here we further
consider the sulfur in the Fluid Catalytic Cracker (FCC) 3.1 Forward/Reverse Interval Analysis
because one of its outputs, catalytic cracked gasoline (CN),
is the major source of sulfur for gasoline95 (ES95) and Given an equation F (x) = 0, forward interval analysis
gasoline98 (PG98). derives its interval [F , F ] bounds based on the initial range
According to Sadeghbeigi (2000), sulfur in CN is approx- for each variable. Then by setting the equation interval
imately an affine function of the feed sulfur content in as [0, 0], the reverse interval analysis will contract the
VGO: domain for each variable sequentially, Jaulin et al. (2001).
Similarly, we can also set interval as [0, +] or [, 0]
!
X
sCN = 0.054 fV GOi sV GOi 0.0024 (16) for inequalities. Here this methodology is implemented by
i using the interval analysis package MC++ and directed
where sCN is the unknown sulfur fraction of CN; sV GOi acyclic graph (DAG) representation from Schichl and
is the known sulfur fraction in VGO of crude i; fV GOi is Neumaier (2005) to reduce the range for variables in the
the flow fraction of VGO from crude i. Parameters 0.054 refinery model. The interval analysis takes very short
and 0.0024 are identified from the figure on page 193, processing time without solving an optimization problem.
Sadeghbeigi (2000). Let the maximum permissible sulfur But its drawback is that the resulting bounds may not be
fraction in gasoline to be 0.025 and assume that the sulfur tight enough.
fraction in the imported high quality gasoline is negligible.
Then the equations for sulfur in the produced gasoline are:
3.2 Feasibility based interval reduction (FIR)
HCN,95 sCN 60.025(HCN,95 + HLN,95 + HISO,95 + (17)
HLG,95 + HR95,95 + H100,95 + Himp,95 )
The FIR method is a pre-processing step for global opti-
HCN,98 sCN 60.025(HCN,98 + HLN,98 + HISO,98 + (18) mization. To acquire a tighter bound on a variable, say
HLG,98 + HR95,98 + H100,98 + Himp,98 ) x, the direct way is to solve the optimization problem:
where the subscript imp denotes the importation. min / max x, subject to the refinery model. This method
does not exclude any feasible points of the original problem
2.4 Objective Function and can be very effective when the initial interval is much
larger than the feasible region according to Balendra and
The aim of the refinery optimization is to maximize the Bogle (2009).
economic return from crude purchase and refinery opera- However, solving such an optimization problem subject to
tions. Thus the objective function incorporates the crude
purchase cost, operation cost, importation expense and the refinery model actually has the same computational
final products sales. The price of the crude is mainly de- burden as the original problem, thus also slow. One way
termined by its API gravity, but also related to the sulfur to address this issue is to limit the solving time of the
concentration and yield. In order to address situations in software and employ its best estimation as the variable
which the production of the refinery cannot meet market bound. An alternative way is to construct convex and
demands or quality specs, we allow the refinery to import concave relaxations of the original problem and solve the
high quality products by paying a higher price than its relaxed formulation to get the variable bounds. In this
sales. A linear form of the objective function is: paper, we utilize the second way because it provides more
obj = Csale Hproducts Ccrude Hcrude (19) flexible and faster solution. Generally, this refinery model
Coperation
X
H Cimp Himp
contains four kinds of non-convex terms which should be
relaxed: bilinear terms, trilinear terms, signomial terms,
where C represents the price and H represents the flow. and integer variables.
In the optimization, we need to maxH obj, subject to the
refinery model. Bilinear term For bilinear terms, the McCormick relax-
ation proposed by McCormick (1976) is the best way to
3. GLOBAL OPTIMIZATION construct its convex and concave hulls.
(Kj,i )F I is either convex or concave and the bound on Kj,i function calculation. The sulfur fraction data from the
is known, its convex and concave relaxation can be built crude oil assay are shown in Table 4. Other parameters
by using an affine function: can be found in Favennec (2001). The suggested model
If F I > 1 : Convex: (Kj,i )F I includes 687 continuous variables, 10 binary variables,
91 inequalities and 693 equalities before pre-processing.
(K j,i )F I (K j,i )F I
Concave: (Kj,i K j,i ) There are 303 bilinear terms and 204 signomial/trilinear
K j,i K j,i terms. The solution time is limited as 24 hours to obtain
If F I 6 1 : Concave: (Kj,i )F I an global optimal solution, where the relative gap is
(K j,i )F I (K j,i )F I = 1%. The resulting profit is 31.8 million $/month
Convex: (Kj,i K j,i ) and the purchase amounts of each crude are shown in
K j,i K j,i
the Table 5. The purchase recipe indicates that the high
sulfur crude oil is not favorable to the profitability because
Integer variables The integer variables vi are introduced the sulfur constraints may be violated and high quality
to model due to the switching of the FI parameter. Given products should be purchased to recover the sulfur spec.
the assumptions made before, only one pseudo-component The resulting cut point temperatures are shown in the
for each cut should be decided by optimization solver. In Table 6. It is not surprising that the importation is zero
this paper, we simply relax the integer requirement to because the optimal solution always guarantees the market
obtain a nonlinear convex problem for FIR. demands and quality of products due to the high penalty of
importation price and hard constraints on quality indexes.
After relaxation, the resulting nonlinear convex problem
can be solved by the software CONOPT to obtain the up- We also test different interval reduction techniques and
per and lower bounds of variables quickly. It is worthwhile evaluate their impacts on the solution time. Although
to note that the convex and concave relaxation is based solving the FIR and OIR for a single variable is cheap,
on the interval of variables involving in the bilinear or there are a number of variables involved in the nonlinear
trilinear terms. The initial guess for these variable intervals terms and bounding all of them will be time consuming.
can be obtained by using forward/reverse interval analysis. Therefore, we only use OIR and FIR to calculate the
Once the variable interval is contracted by solving the bounds of selected variables: xbot,j,i , xdis,j,i , Pbot,j , Wj , Yj ,
convex optimization, the relaxation also becomes tighter crude purchase and all flow variables related to bilinear
and we may repeat this optimization procedure to generate terms. The parameter used for cut obj > obj0 is set as
stronger bounds. obj0 = 1$ because the refinery should make profits and
then obj0 = 29.86 million $ by solving the problem and
3.3 Optimality based interval reduction (OIR) obtaining a feasible solution within 120s. Even though
the same optimal feasible solution is obtained based on
Different from the FIR, the OIR method cuts off part of the these approaches, the solution times are very different. The
feasible region of the original formulation but still retains results are shown in Fig. 4 and Table 7 for comparison. It
the global optimum. By solving OIR, we expect to obtain is clear that the OIR and FIR combined methodology is
much tighter bounds for variables, thereby accelerating the superior because it only takes 347s for range reduction
branch & bound procedure. The prerequisite of OIR is and totally 2340s to obtain the solution with relative
a feasible solution, say obj0 found by local optimization gap 1% whereas the pure interval analysis method takes
software. Then it is clear that the global optimum obj 24 hours to reach the gap 3%. In fact, the OIR and
should be no smaller than the current feasible solution, FIR combined method is also the fastest way to find the
namely, obj > obj0 . This cut can be integrated into optimal feasible solution in 1261s. The FIR based method
the optimization formulation of FIR to yield the OIR finds this solution in 2440s and the interval analysis (IA)
formulation, which is still convex and can be solved by based method takes 6544s. It is also worthwhile to note
CONOPT to get tighter interval for the variables. The that the ANTIGONE also does the variable bounding
OIR is triggered when the incumbent solution is updated without using obj > obj0 , at nodes of the branch & bound
significantly and can be combined with the FIR in the tree.
optimization algorithm. Table 1. Crude price $/barrel
Table 4. Crude sulfur wt% Balendra, S. and Bogle, I.D.L. (2009). Modular global
optimisation in chemical engineering. Journal of Global
Yield Crude1 Crude2 Crude3 Crude4
GO 0.209 0.2 1.003 1.826 Optimization, 45, 169185.
VGO 0.65 0.5 2.0 3.60 Duran, M. and Grossmann, I.E. (1986). An outer-
approximation algorithm for a class of mixed nonlinear
Table 5. Crude purchase KT programs. Math. Programming, 66, 327349.
Favennec, J.P. (2001). Refinery operation and manage-
Crude1 Crude2 Crude3 Crude4 ment. Editions TECHNIP.
40.0 200.0 200.0 0.0
Geddes, R.L.A. (1958). A general index of fractional
Table 6. Cut point temperature K distillation power for hydrocarbon mixtures. AIChE
Journal, 4, 389392.
LN HN KE GO VGO VR Gilbert, R.J.H., Leather, J., and Ellis, J.F.G. (1966). The
320.0 373.4 465.0 525.0 660.0 850.0 application of the geddes fractionation index to crude
Table 7. Convergence distillation units. AIChE Journal, 12, 432437.
Jakob, R. (1971). Estimate number of crude trays. Hydro-
IA FIR FIR+OIR carbon Process., 50, 149152.
Time 24 hours 3891s 2340s Jaulin, L., Kieffer, M., Didrit, O., and Walter, E. (2001).
Gap% 3 1 1 Applied Interval Analysis. Springer.
Kesavan, P., Allgor, R.J., Gatzke, E., and Barton, P.I.
0.4 (2004). Outer approximation algorithms for separable
FIR
FIR+OIR nonconvex mixed-integer nonlinear programs. Mathe-
0.35
matical Programming, 100, 517535.
0.3 Lang, P., Szalmas, G., Chikanya, G., and Kemeny, S.
0.25
(1991). Modelling of a crude distillation column. Com-
Relative Gap