Reprinted from HYDROCARBON ENGINEERING MARCH 2004

P
rocess simulation has been widely used in refineries for
more than 30 years. Steady state and dynamic simula-
tions are established tools for the design of new process
units and optimisation (off and online) of existing facilities.
While mathematical models of separation systems and other
unit operations are available in most commercial process sim-
ulators, refinery reactors are very specialised models and, in
most cases, are simulated as standalone units. As a conse-
quence, the interactions between
different processing units are not
fully explored and the true operat-
ing window is never captured.
Many refiners have recog-
nised the potential benefits of
extending rigorous modelling to
refinery wide simulations that
model all of the process units as
an integrated system. This
approach would provide a power-
ful tool to help optimise refinery
operations, and would be an
important element in sustaining a
competitive advantage in light of
new regulations, growing compe-
tition and decreasing margins.
However, such refinery wide mod-
els were expensive and time con-
suming to create.
In response to this need,
AspenTech and UOPhave devel-
oped a new simulation tool called
Aspen RefSYS, which enables
refiners to create rigorous refin-
ery wide models using a stan-
dard, easy to use solution. This
product combines AspenTechs
refining industry process simula-
tion flowsheet technologies and
the refinery reactor models
developed by UOP and
AspenTech.
This article illustrates a typical
example of how rigorous refinery
wide modelling can be used to
help companies make more
informed operational and
investment decisions. This article analyses different strategies
for benzene control in gasoline: an important issue facing
many refiners because of its significant health and environ-
mental implications.
Refinery wide simulation
Refineries are very complex processing plants and each one
is unique with respect to its capacity, its processing units and
Refinery wide
simulation
Denis Westphalen and Hiren Shethna,Aspen
Technology, Inc., Canada, explore how a rigorous
refinery wide simulation tool can be used to analyse
different strategies for benzene control in gasoline.
Figure 1. Simulation model.
Figure 2. Naphtha complex.
53-56 1/7/04 10:59 Page 53
its feedstocks. Understanding the true economic potential of a
refinery is a complex challenge, due to the intricate interde-
pendency of its processing units. Linear programming (LP)
models have been successfully used in the decision making
process for many years; however, refiners should be aware of
the limitations of this approach. The LP model is an excellent
economic evaluation tool, but
because the model itself is built
with parameters that are not
always kept up-to-date to truly
reflect the refinery capabilities,
or is kept up-to-date with simpli-
fying assumptions, it does not
deliver the optimum economic
answer and cannot adequately resolve ques-
tions related to operating constraints and new
paradigms. Due to these limitations, the incor-
poration of rigorous models into existing work
processes can help to ensure that daily opera-
tional decision making is based on more com-
plete and accurate information.
A refinery wide simulation tool can therefore
provide a range of important benefits, including
the ability to:
Understand the impact of
changes in unit operations.
Find the best set of
operating conditions.
Quickly test the LP model
accuracy.
Update the LP vectors in a
timely manner.
Respond quickly to
operational changes/upsets and new regulations.
Identify process bottlenecks.
Evaluate different process configurations.
Maximise the efficiency of existing equipment.
Components of a refinery wide
simulation tool
To provide companies with an effective and easy to use
application, a refinery wide simulation tool based on rigorous
models needs to incorporate a number of key components;
these include:
Thermodynamic engine: phase equilibria and the
calculation of thermodynamic properties are necessary to
any rigorous simulation.
Assay management system: the access to assay libraries
and to assay characterisation tools are necessary to
represent the crude oils.
Calculation of petroleum properties based on assay
information: petroleum properties such as octane number,
pour point, cloud point, flash point must be calculated at
any point of the flowsheet. Special property blending cal-
culations are essential.
Library of standard unit operations: the user must be able
to build a simulation model using pre-defined unit
operations as distillation columns, heat exchangers, etc.
Refinery reactors: first principle models for refinery
reactors must be available for the user. These models
must be tuneable using plant data. Kinetic models must
be developed from real pilot/plant data.
Flowsheeting environment: unit operations and reactors
can be linked together in a flowsheeting environment. The
flowsheeting environment holds the model topology and
invokes all model calculations.
Analysis of benzene control
strategies
To demonstrate how refinery wide modelling can help compa-
nies optimise their operational performance, a typical scenario
in which a refinery needs to identify the optimum benzene con-
trol strategy for a particular set
of operating conditions has
been examined. The details of
the refinery and its operational
status are outlined below.
Figure 1 is a simplified
process flow diagram for the
refinery model. Crude oil is fed
to the crude distillation unit that was modelled
as a rigorous column with four side-strippers
and four pump-arounds. The atmospheric
residue is sent to the vacuum distillation unit
(VDU), where VGO is obtained and used as
the feedstock to the FCC unit. The FCC unit
was rigorously modelled including the reactor
(riser, stripping and regeneration), the FCC
main fractionator and the gas plant. The HF
alkylation unit was also part of the simulation.
Naphtha is drawn from the top of the CDU and
sent to the naphtha stabiliser
where light components are
removed. Stabilised naphtha is
hydrotreated (not rigorously
modelled in this work) and sent
to the naphtha complex (Figure
2). The naphtha complex com-
prises the reforming and the
isomerisation units.
These two units play an important role in the benzene contents
and final quality of gasoline. The reformer is a CCR platform-
ing unit operating at 500 kPa (72.5 psia) and all four reactors
at 510 C (950 F). The use of a refinery wide simulation tool
allows the study of the interdependency of those two units, the
interactions with the different crude blending options, the influ-
ence of the operation of the CDU and the connection with the
other units that produce gasoline.
Two different crude oils are blended before being fed to the
CDU. Table 1 shows some properties of crude oils A and B.
Base case
On the base case, crude oils A and B are blended using a
1:1 ratio on volume basis. Table 2 shows the properties of the
feed stream to the reformer unit and Table 3 shows the gaso-
line pool composition.
Influence of pre-fractionation
One of the strategies employed to control benzene in gasoline
is the prefractionation of naphtha so that benzene and ben-
zene precursors are removed from the reformer feed. Once
those components are removed, they are sent to the
Isomerisation unit, where benzene is saturated. Choosing the
right benzene reduction strategy requires an understanding of
the impact that each strategy has on such factors as overall
gasoline production, refinery balance and economics. The rig-
orous simulation model of the refinery makes it possible to
analyse different alternatives and process conditions and iden-
tify the optimum approach.
Benzene concentrations in the reformate depend on the
amount of benzene and benzene precursors in the feed to the
reformer. Benzene formation occurs by conversion of cyclo-
hexane and methylcyclopentane to benzene and through the
dealkylation of heavy aromatics to benzene.
Reprinted from HYDROCARBON ENGINEERING MARCH 2004
Table 1. Properties of crude oils A and B
Property Crude A Crude B
API 41.28 29.78
Paraffins by volume (%) 55.92 36.99
Naphthenes by volume (%) 21.42 34.37
Aromatics by volume (%) 22.66 28.64
Table 2. Reformer feed stream
Property Value
Aromatics by volume (%) 14.42
Benzene (volume %) 0.01
RON 58.3
D86 IBP 93.53
D86 10% 102.92
D86 30% 106.18
D86 50% 114.12
D86 70% 121.73
D86 90% 145.82
D86 FBP 175.1
Table 3. Gasoline pool composition
Source Volume % RON Aromatics Benzene
(vol %) (vol %)
Reformate 41.7 101.3 76.7 4.92
Isomerate 13.4 80.2 0 0
Alkylate 12.4 91.8 0 0
FCC naphtha 32.5 97.5 17.9 0.96
Total 100 96.5 19.7 2.36
53-56 1/7/04 10:59 Page 54
Using the simulation model, the influence of the initial boil-
ing point of the reformer feed on some key properties was
analysed. Since all operations (distillation columns, reactors,
heat exchangers and others) are part of the same simulation
model, this study can be performed in a straightforward way.
Figures 3, 4, 5, and 6 depict the influence of the D86 IBPof the
reformer feed on the reformate research octane number, ben-
zene concentration, hydrogen yield, and reformate, isomerate
and gasoline yields, respectively.
It can be concluded that the benzene concentration on
reformate, and therefore on gasoline, can be significantly
reduced if the initial boiling point of the reformer feed is
increased. The decrease in the hydrogen and reformate yields
must be analysed in the context of the overall refinery, taking
into account the hydrogen demand in other processing units.
The increase in the reformate octane number suggests that
the severity of the reformer could be reduced.
Further opportunities
Whilst this analysis has identified the potential for significant
performance improvements by making minor alterations to the
operating strategy, the refinery wide simulation model also
makes it possible to evaluate the impact of a broader range of
potential changes to explore whether they could offer greater
benefits.
This could include using model to examine the detailed
impact of different feedstocks on the downstream units,
including the reactor units. For instance, the blending ratios of
crudes A and B can easily be changed and those changes
are automatically propagated through the flowsheet. The opti-
mum reforming temperature and initial boiling point of the
reformer feed stream can thus be determined for a different
blending ratio. In this way, it is possible to view the model as a
desktop virtual refinery that allows refiners to gain a much bet-
ter understanding of their complex operations. This greater
understanding can help to identify improvement opportunities,
and can ultimately lead to more efficient and profitable refinery
operations.
References
1. Aspen RefSYS 1.0, Users Manual, Aspen Technology, Inc..
2. KEESOM, W. H., KUCHAR, P. C., Penex and Platforming Synery for
Efficient Naphtha Processing and Benzene Control, UOP, LLC.
3. WIER, M. J., UTLEY J., ELSTEIN, J., SCHWAKE, D., Strategies for
Maximizing Profits from Reforming Units, NPRAAnnual Meeting, San
Francisco, California (1998).
4. SUDKAMP, R., Linking Crude Units with UOP Reactor Models in a Multi-
Plant Refinery HYSYS Model, Presented at the AspenTech Users Group
Meeting, Paris (2003).
5. FORREST, J., REYES, E., Refinery-Wide Rigorous Simulation Solution
Drives New Value for Refiners, NPRA Plant Automation and Decision
Support, San Antonio, Texas (2003).
Reprinted from HYDROCARBON ENGINEERING MARCH 2004
Figure 3. Reformate RON. Figure 4. Benzene concentration on reformate and
gasoline.
Figure 5. Hydrogen yield. Figure 6. Reformate, isomerate and gasoline
yields.
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