CFD Optimization for Hydrogen Reformers
CFD Optimization for Hydrogen Reformers
   Abstract— In this work, we introduce a furnace balancing                    steam into hydrogen, carbon dioxide and carbon monoxide in
algorithm that generates an optimized furnace-side feed distri-                the presence of a nickel-based catalyst network. The process
bution that has the potential to improve the thermal efficiency                takes place inside a unit that consists of two closed domains.
of reformers. The furnace balancing algorithm is composed of
three major components: data generation, model identification                  Typically, in one domain the fuel reacts with excess oxygen
and a model-based balancing scheme. Initially, we adopt a                      in air to generate the necessary thermal energy to drive the
computational fluid dynamics (CFD) model of an industrial-                     endothermic SMR process taking place in the other domain.
scale reformer developed in our previous work for the data                     The core unit of the SMR process is the steam methane
generation, as this model has been confirmed to simulate the                   reformer. In the steam methane reformer, the two closed
typical transport and chemical reaction phenomena observed
during reformer operation, and the CFD simulation data is in                   domains are referred to as the tube side and the furnace
good agreement with various sources in literature. Then, we                    side. The tube side is defined as a collection of all tubular
propose a model identification scheme in which the algorithm                   reforming reactors (which are referred to as reforming tubes),
is formulated based on the least squares regression method                     and the furnace side is defined by the remaining components
and basic knowledge of radiative heat transfer. Subsequently,                  of the reformer including the combustion chamber walls and
we create a model-based balancing scheme that is formulated
as an optimization problem within which the furnace-side feed                  flue-gas tunnels. In the steam methane reforming application,
distribution is the decision variable, and minimizing the sum of               the key reactions of the SMR process are endothermic and
the weighted squared deviations of outer reforming tube wall                   reversible, and therefore, a reformer configuration that allows
temperatures from a set-point value for all reforming tubes is                 significant heat transfer to the tube side near the reforming
used as the objective function. CFD simulation results provide                 tube inlets is the appropriate design. Motivated by this, the
evidence that the optimized furnace-side feed distribution
created by the furnace balancing algorithm can reduce the                      top-fired furnace configuration is the most frequently used
temperature nonuniformity inside the combustion chamber, and                   reformer furnace configuration in industry.
therefore, allow the reformer thermal efficiency to be increased                  At chemical manufacturing plants that are designed to
without shortening the unit’s service life.                                    produce high purity hydrogen on a commercial scale, the
                                                                               plants’ efficiency is directly linked to the thermal efficiency
                         I. I NTRODUCTION                                      of the reformer because it is the most energy-intensive unit.
   Hydrogen is one of the most important raw materials                         Additionally, the reformer thermal efficiency is controlled by
for petroleum and chemical manufacturing industries. In the                    the temperature distribution inside the combustion chamber.
petroleum refining industry, many refining catalytic processes                 Specifically, a higher reformer thermal efficiency is observed
(e.g., the hydrotreating process, hydrocracking process and                    with a more uniform temperature distribution in the com-
hydrodesulfurization process) consume hydrogen. Specifi-                       bustion chamber [3]. The degree of nonuniformity in the
cally, the hydrotreating process, which requires hydrogen                      temperature distribution refers to the maximum variation in
to convert olefins to paraffins, and hydrocracking process,                    the radially averaged outer reforming tube wall temperature
which uses hydrogen to cleave sigma carbon-carbon bonds,                       between reforming tubes at a specified axial location [3],
serve the same purpose of increasing the hydrogen content                      [10], [13]. The degree of nonuniformity in the temperature
of the downstream process reactants, which allows these                        distribution, which may be measured by a system of infrared
downstream processes to have higher efficiency. The hy-                        (IR) camera sensors situated around an online reformer, can
drodesulfurization process utilizes hydrogen to remove thiol                   be as high as 110 K. A reformer that possesses a highly
compounds in the raw natural gas feedstock to prevent the                      nonuniform temperature distribution is referred to as an
catalysts of downstream processes from being poisoned.                         imbalanced reformer.
   In an industrial setting, hydrogen is commonly produced                        A nonuniform temperature distribution is a critical op-
by the steam methane reforming (SMR) process, which is an                      erational problem, which is frequently mentioned in pub-
endothermic process that converts methane and superheated                      lished literature under various terms (e.g., a nonuniform
                                                                               temperature distribution, temperature maldistribution and
   Anh Tran, Andres Aguirre, Helen Durand and Marquis Crose are with           temperature nonuniformity) [3], [10], [13]. The high degree
the Department of Chemical and Biomolecular Engineering, University of
California, Los Angeles, CA 90095, USA. Panagiotis D. Christofides is          of nonuniformity in the temperature distribution forces the
with the Department of Chemical and Biomolecular Engineering and the           reformer to be operated at suboptimal conditions at which
Department of Electrical Engineering, University of California, Los Angeles,   the hydrogen production rate of the reformer is much less
CA 90095, USA. Email: pdc@seas.ucla.edu. Corresponding author:
P. D. Christofides. Financial support from the National Science Foundation     than its design capacity. To understand the impact of the
and the Department of Energy is gratefully acknowledged.                       high degree of nonuniformity in the temperature distribution
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                                                                                                        TABLE I
with the same number of subdomains [2], [4]. Therefore,
                                                                                                 R EFORMER MESH QUALITY
the reformer mesh created for this study is a multiblock
structured hexahedral grid with ∼41,000,000 subdomains.
Based on the three mesh quality recommendations from the                                              The reformer mesh      Recommended range
creator ANSYS of ICEM CFD software, which are used to                         Min orthogonal factor   0.459                  0.167 − 1.000
evaluate the quality of the reformer mesh. Table I shows that                 Max ortho skew          0.541                  0.000 − 0.850
the reformer mesh quality is considered to be acceptable.                     Max aspect ratio        28.5                   1.000 − 100.0
   In our previous work, the transport and chemical reaction
phenomena observed inside the reformer during hydrogen
production are discussed at great length, and the modeling
                                                                           describing the relationship between the OTWT distribution
strategies to create the reformer CFD model that require a
                                                                           at a specified location away from the reforming tube inlets
moderate computational time are described in Lao et al. [4]
                                                                           and the FSF distribution. The model identification is for-
and Tran et al. [11]. In particular, the reformer CFD model is
                                                                           mulated based on a linear least squares regression method.
able to simulate the non-premixed combustion characteristics
                                                                           Specifically, we assume that the average OTWT of the ith
of the furnace-side fuel stream by using the standard k − ϵ
                                                                           reforming tube at a specified axial location, Ti (K), can be
turbulence model, finite rate/eddy dissipation (FR/ED) model
                                                                           written as a linear combination of the FSF flow rates of all
and global kinetic models of methane/hydrogen combustion
                                                                           burners in the reformer as follows,
in air [1], [8]. Additionally, the reformer CFD model is
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                                                                                                              !
capable of simulating radiative heat transfer between the
furnace-side mixture, combustion chamber refractory walls                                             Ti =          αij Fj                   (1)
                                                                                                              j=0
and outer reforming tube walls by using an empirical cor-
relation between the furnace-side radiative properties and                 where Fj (kg s−1 ) is the FSF flow rate of the j th burner
temperature [7], Lambert Beer’s law, Kirchoff’s law and the                and αij (K kg−1 s) is the empirical coefficient of the data-
discrete ordinate method [2]. Furthermore, the reformer CFD                driven correlation representing the impact of Fj on Ti . In
model can simulate the SMR process in the tube side by                     this study, the outer-lane/ inner-lane burners and reforming
means of the standard k − ϵ turbulence model, FR/ED model                  tubes are indexed from 0th − 95th and 0th − 335th in the
and global kinetic model of the SMR process [12]. Moreover,                specified patterns as shown in Fig. 1.
the reformer CFD model can also simulate the effects of the                   In high-temperature applications, thermal radiation is the
catalyst network on the tube side flow by employing a built-               dominant mode of heat transfer. Olivieri et al. [9] show
in ANSYS porous zone function of which the parameters                      that radiative heat transfer accounts for 95% of the total
are estimated from the semi-empirical Ergun equation and                   heat transfer in the top-fired reformer, which suggests that
relevant typical industrial data [4]. Lastly, we note that the             the OTWT distribution is controlled primarily by thermal
simulation results generated by the reformer CFD model                     radiation. The rate of energy transferred by thermal radi-
have been validated and confirmed to be in good agreement                  ation between two blackbodies at different temperatures is
with typical industrial SMR data in published literature, and              commonly modeled as being proportional to the difference
therefore, can be considered as a good representation of                   in temperatures raised to the fourth power. Additionally, the
experimental data.                                                         radiative heat transfer rate is proportional to the radiation
                                                                           intensity, which is inversely proportional to the distance
                                                                           between the two blackbodies raised to the second power.
                                                                           This indicates that the rate of thermal radiation quickly
                                                                           decreases with an increasing distance between two black
                                                                           bodies. Therefore, the influence of the FSF flow rate on the
                                                                           OTWT is localized, which suggests that when the distance
                                                                           between the j th burner and ith reforming tube is sufficiently
                                                                           large, it can be assumed that the FSF flow rate of the j th
                                                                           the burner has negligible impact on the OTWT of the ith
                                                                           reforming tube. In this study, the distance between a specified
                                                                           burner and reforming tube is defined as the distance between
                                                                           the projection of the burner centroid and the projection of
                                                                           the reforming tube centroid onto any 2-D horizontal cross-
Fig. 1. The isometric view of an industrial-scale, top-fired, co-current   sectional plane.
reformer.
                                                                              To quantitatively determine the local effect of the FSF flow
                                                                           rate of each burner on the OTWT distribution, a cylindrical
B. Model Identification                                                    volume (as shown in Fig. 2) is used to represent the heating
   The second step of the furnace balancing algorithm is                   zone of a burner in which the outer wall temperatures of
model identification which utilizes the CFD data collected                 the reforming tubes are dependent on the FSF flow rate
from the data generation step to create a data-driven model                of the burner. Additionally, the concept of heating zone
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allows the data-driven model to account for the reformer
geometry characteristics (i.e., the burner and reforming tube
arrangements). It is important to note that a larger cylindrical
volume (i.e., that allows the FSF flow rate of a burner to
affect more surrounding reforming tubes) allows the model
identification to have more optimization variables, which
may make the data-driven model more accurate with respect
to the reformer CFD data at the cost of increased compu-
tational requirements. We have found that at rHZ ∼3.43
m (as shown in Fig. 2) the least-squares algorithm of
the model identification produces an acceptable data-driven
model within a reasonable computing time interval. The data-
                                                                   Fig. 2. A representation of a burner heating zone which is created by the
driven model is designed to predict the OTWT distribution          highlighted burner. The burner heating zone is represented by a shaded-blue
corresponding to a FSF distribution, and the data created          cylindrical volume.
from the data-driven model is expected to be close to that
taken from a reformer CFD simulation result in the least
squares sense. The least-squares algorithm of the model            C. Model-based balancing scheme
identification based on n sets of the reformer CFD simulation
data is formulated as follows,                                        The third step of the furnace balancing algorithm is
                            ⎛                       ⎞2             the model-based balancing scheme which utilizes the data-
                   n−1
                   !!   335            !95
                            ⎝Tk,m −                                driven correlation (Eq. 1) to determine an optimized FSF
            min                            αkj Fj,m ⎠        (2)
        αij ∈[0,∞)                                                 distribution which can reduce the degree of nonuniformity
                     m=0 k=0          j=0
                                                                   in the OTWT distribution. Specifically, the furnace balancing
    subject to
                                                                   scheme is formulated as an optimization problem in which
      αkj = 0                            if dkj > rHZ      (3a)    minimizing the sum of the weighted squared deviations
      αkj = αki                          if dkj = dki      (3b)    of all outer reforming tube wall temperatures from a set-
      &     'β                                                     point value (TAV E ) is the objective function. The idea of
        dkj
               · αkj ≥ αki ≥ αkj         if dkj > dki      (3c)    implementing the weighted squared deviations is critical
        dki                                                        because the data-driven model is not designed to account
where Tk,m is the average outer wall temperature of the k th       for the effect of the furnace-side flow pattern on the OTWT
reforming tube taken from the mth reformer CFD data set,           distribution inside the reformer. Hence, in the effort of
Fj,m is the FSF flow rate of the j th burner derived from          determining the appropriate weighting factors of the furnace
the mth reformer CFD data set, β = 6.0 is an empirical             balancing scheme, the existing reformer CFD data is utilized
constant of the data-driven model estimated from the study         to investigate the impact of the furnace-side flow pattern on
of the burner heating zone, dkj is the distance between            the OTWT distribution. Fig. 3 shows that the combustion
the k th reforming tube and the j th burner and dki is the         products flow down the reforming tube length, enter the flue-
distance between the k th reforming tube and the ith burner.       gas tunnels through the extraction ports and move toward
In Eqs 3a−3c, the ranges of k, i and j are 0−335, 0−95 and         the reformer outlets. The furnace-side flow pattern causes
0 − 95, respectively. The cost function (Eq. 2) of the model       the wall temperature of the flue-gas tunnels to increase with
identification penalizes the deviation of the average outer        decreasing distance from the reformer outlets as shown in
wall temperature of each reforming tube generated by the           Fig. 4. We note that the minimum temperature of the flue-gas
data-driven model from that derived from the corresponding         tunnels (1240 K) is higher than the maximum temperature of
reformer CFD data set. Eq. 3a suggests that if the k th            the outer reforming tube wall (1183 K) [11], which suggests
reforming tube is not situated within the heating zone of the      that the neighboring reforming tubes also receive additional
j th burner (Eq. 3a), the data-driven model will assume that       radiative heating from the flue-gas tunnels. However, the
the FSF flow rate of the j th burner does not affect the k th      additional radiative heating transferred to the neighboring
outer reforming tube wall temperature. Additionally, Eq. 3b        reforming tubes along each row is nonuniform, and specifi-
indicates that if the distance between the k th reforming tube     cally, the reforming tubes near the reformer outlets to receive
and the j th burner is equal to that between the k th reforming    a higher rate of radiative heating from the neighboring flue-
tube and the ith burner, the data-driven model then presumes       gas tunnels compared to the other reforming tubes that are
that the effects of the burners on the k th outer reforming tube   situated further away. As a result, to account for the impact
wall temperature are the same. Similarly, Eq. 3c shows that        of the nonuniform heating from the neighboring flue-gas
if the distance between the k th reforming tube and the j th       tunnels on the OTWT distribution, the weighting factors in
burner is greater than that between the k th reforming tube        the objective function are chosen as shown in Eqs. 5a, 5b
and the ith burner, the data-driven model then infers that the     and 5c, so that the deviations of the estimated OTWT from
effects of the j th burner on the k th outer reforming tube wall   TAV E are penalized more severely for reforming tubes that
temperature are weaker than those of the ith burner.               are positioned further away from the reformer outlets so that
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the FSF can be redirected to the burners situated near the
refractory back wall.
   In addition, the model-based balancing scheme is formu-
lated to account for typical industrial operational constraints.
In particular, it is unconventional for a FSF flow rate of a
burner to be regulated individually. In the reformer, every
set of two consecutive burners in a row of twelve burners
is assumed to be controlled by a flow regulator and to have
the same FSF flow rate (as shown in Eq. 5d). A common
flow regulator installed to adjust the FSF distribution is a
flow control valve. In this study, we assume that the FSF of
the burners is regulated by two distinct flow control valve         Fig. 3. The velocity vector field of the furnace-side flow pattern in the
models, one of which is used for the inner-lane burners,            vicinity of the 4th burner row in the reformer is constructed from the
                                                                    reformer CFD data [11].
and the other valve model is implemented in the outer-lane
burners such that when all valves are fully open, the FSF flow
rate of the outer-lane burners is 60% of that of the inner-lane
burners. Even though in industrial practice a FSF distribution
is generated from a certain valve position distribution, the
decision variable of the model-based balancing scheme is
chosen to be the FSF distribution. Nevertheless, the furnace
balancing algorithm remains useful for industrial applications
that target to reduce the temperature nonuniformity in the
combustion chamber and to increase the reformer thermal
efficiency because for any FSF distribution, a valve position
distribution can be derived based on the characteristics
of flow control valves and the proportionality relationship
between the valve models. In this work, we assume that the
                                                                    Fig. 4. The temperature contour map of the 4th flue-gas tunnel, which is
total FSF derived based on typical industrial data is kept          situated directly under the 4th burner row in the reformer, is created from
constant at Ftot when an optimized distribution is evaluated        the reformer CFD data in [11], and the reforming outlets are situated at the
(as shown in Eq. 5e). The model-based balancing scheme is           bottom right corner.
formulated as follows,
                               ⎛                      ⎞2
                       !335                95
                                           !                        tube wall temperature distribution and the limited detailed
           min              wk ⎝TAV E −        αkj Fj ⎠     (4)
   Fj ∈(0,∞),j=0,··· ,95                                            industrial data of reformer operational settings (e.g., although
                           k=0                    j=0
                                                                    the total FSF flow rate is available for public access, to the
    subject to                                                      extent of our knowledge the data of the FSF distribution has
      wk = 0.1                   if (k mod 48) < 16          (5a)   never been reported), we assume that the FSF is uniformly
       wk = 0.3                  if 16 ≤ (k mod 48) < 32     (5b)   distributed among the inner-lane burners and among the
                                                                    outer-lane burners. Hence, the reformer CFD simulation
       wk = 0.6                  if 32 ≤ (k mod 48)          (5c)
                                                                    result of the uniformly distributed FSF serves as a basis for
       Fj = Fj+1                 if j ∈ {0, 2, · · · , 94}   (5d)   this investigation. It is critical to recall that a given FSF
       95
       !                                                            distribution is the result of a combination of valve settings,
             Fj = Ftot                                       (5e)   which regulates the amount of fuel and air delivered to each
       j=0                                                          group of two burners. Specifically, the uniform distribution
where wk is the weighting factor of the k th reforming tube         of the FSF is accomplished by allowing all valves to be fully
and Fj is the optimized FSF flow rate of the j th burner. It is     opened in which the feed flow rate of the outer-lane burners
important to note that wk is determined based on a trial-           is 60% of that of the inner-lane burners because of the pro-
and-error approach until the largest reduction in standard          portionality relationship of the valves discussed in Sec. II-C.
deviation of the estimated OTWT distribution is observed.           The OTWT distributions along the reforming tubes that are
                                                                    generated by the reformer CFD model implemented with the
                 III. S IMULATION RESULTS                           uniformly distributed FSF are shown in Fig. 5. It is reported
   In this section, we illustrate the deployment of the furnace     that the temperature nonuniformity pattern is independent
balancing algorithm to generate the optimized FSF distri-           of the total FSF flow rate and of the axial location along
bution that leads to a reduction of nonuniformity in the            the reforming tubes [3]. This information suggests that if
temperature distribution inside the combustion chamber. Due         the OTWT distribution becomes more uniform at any given
to the lack of prior knowledge of the quantitative effect of the    plane at a constant height in the reformer then the overall
asymmetric furnace-side flow pattern on the outer reforming         temperature nonuniformity inside the combustion chamber is
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also reduced and the overall reformer thermal efficiency can
be improved. In the remainder of this section, we focus on
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