1. Introduction
In recent years, the installed capacity of renewable energy sources such as wind and solar power has continued to grow, making the power system increasingly variable and intermittent. Consequently, conventional coal-fired units are shifting from long-term stable baseload operation to more flexible operation with greater emphasis on rapid response and deep load regulation [
1,
2]. Under these circumstances, large coal-fired boilers must not only provide base power supply, but also maintain safe, stable, and economical operation over a wide load range, including low-load and ultra-low-load conditions [
3]. Therefore, flexible operation has become a practical requirement for coal-fired units, and their capability to operate at low and ultra-low loads has become an important indicator of adaptability to the evolving power system [
4].
However, large variations in boiler load not only change the in-furnace combustion organization, air-staging performance, temperature field, and pollutant formation and transport, but also strongly affect the operating conditions of the downstream selective catalytic reduction (SCR) system [
5]. As the boiler load decreases, the fuel input, flue-gas flow rate, flow momentum, and turbulent mixing intensity in the furnace all decline markedly. The high-temperature zone contracts, the flame center moves downward, and local flow bias and non-uniformity become more pronounced [
6]. These changes alter the temperature, velocity distribution, and NO
x concentration at the furnace exit, and the resulting non-uniformity is further transmitted to the SCR inlet. This directly affects post-injection NH
3-NO
x mixing, catalyst-inlet flow-field uniformity, and catalytic reaction performance [
7]. In engineering practice, the ammonia injection grid, guide vanes, and other flow-control devices in the SCR system are usually designed and optimized mainly for medium- and high-load conditions [
8,
9,
10]. Whether these designs can still maintain satisfactory flow organization and mixing under ultra-low-load conditions remains insufficiently understood. Therefore, investigating the flow, mixing, and denitrification performance of the SCR system over a wide load range, especially under ultra-low-load conditions, is of clear engineering significance.
SCR is one of the most widely used technologies for controlling NOx emissions from coal-fired power plants because of its high denitrification efficiency and good applicability to large-scale flue-gas treatment systems. In an SCR reactor, injected NH3 reacts selectively with NOx over the catalyst surface to form N2 and H2O. The performance of the SCR system is strongly affected by the flue-gas temperature, velocity distribution, NOx concentration, NH3 distribution, and the local NH3/NOx molar ratio at the catalyst inlet. Non-uniform inlet conditions may lead to local NH3 deficiency or excess, resulting in reduced NOx removal efficiency or increased NH3 slip. Therefore, improving NH3-NOx mixing and catalyst-inlet field uniformity is essential for maintaining stable SCR performance, especially under wide-load and low-load operation.
Numerical simulation provides an effective means of addressing these issues. Compared with field measurements, CFD modeling can provide full-field information on the flow, temperature, species distribution, and particle behavior inside the boiler. This makes it possible to clarify how combustion characteristics vary with boiler load and how these changes propagate through the rear pass duct to the SCR system. In recent years, CFD has been widely applied to the analysis of combustion processes, pollutant formation, and denitrification optimization in large coal-fired boilers [
11,
12,
13].
Askarova et al. [
14] developed a multi-dimensional model that coupled heat transfer with reaction kinetics to support furnace design. Chang et al. [
15] examined trade-offs between flame stability and emissions in tangentially fired boilers at low load, emphasizing the influence of burner arrangement. Furthermore, Laubscher et al. [
16] analyzed thermal and flow maldistribution in the rear pass duct from 99% to 60% load. Wang et al. [
17] utilized a 1:1 scale 3D CFD model to optimize the flow guides and ammonia mixing devices of a 660 MW SCR system, successfully reducing the ammonia concentration’s relative standard deviation at the catalyst inlet to 5.3%. Świeboda et al. [
18] reviewed modeling best practices for optimizing the SNCR process in pulverized coal boilers, focusing on geometry simplification, mesh refinement, and validation methods. Yin et al. [
19] developed an integrated NO
x emission model to optimize ammonia injection control during load-cycling processes, effectively reducing NH
3 slip and NO
x fluctuations by accounting for NH
3 storage inertia and flue gas dynamics. Chen et al. [
20] compared monolith and packing structures with various particle shapes to optimize SCR performance, proposing a structure-selection strategy based on reaction-diffusion behaviors tailored for different industrial temperature ranges.
However, several limitations remain in the existing literature. First, most previous studies have focused on rated-load or medium- to high-load conditions, with limited attention paid to deep load regulation near 25% BMCR. As a result, combustion stability, temperature distribution, and NOx evolution under low-load operation are still not well understood. Second, although some studies have considered variable-load operation, the load range investigated is often incomplete, and continuous analyses from high load to ultra-low load are still lacking. This makes it difficult to fully capture the variations in combustion, flow, and emission characteristics over the entire load range. Third, in most existing simulations, furnace combustion, rear pass duct flow, and the SCR process are treated separately, while full-process coupled simulations from the furnace to the SCR region remain scarce. In addition, studies on internal flow regulation in the SCR system have mainly focused on the flow-straightening effect of guide vanes, whereas the role of static mixers in enhancing post-injection mixing and improving the uniformity of catalyst-inlet velocity and concentration fields has received much less attention. This is especially true under wide-load and ultra-low-load conditions, where the underlying mechanisms are still not well understood.
To address these issues, a 660 MW coal-fired unit was selected in this study, and a full-process CFD model covering the furnace, rear-pass duct, and SCR system was established. The model was used to systematically investigate combustion characteristics, NOx formation, SCR inlet conditions, and denitrification performance over a boiler load range of 25% to 100%. On this basis, three representative static mixer configurations were further examined to evaluate their effects on NH3-NOx mixing, normalized stoichiometric ratio (NSR) distribution, catalyst-inlet field uniformity, and overall NOx removal performance under wide-load operation.
Compared with previous numerical studies on SCR systems, including our previous full-process furnace-to-SCR CFD study [
21], the present work has several distinguishing features. In the previous study, the analysis mainly focused on furnace combustion characteristics and SCR-inlet flow-field optimization, and the investigated component was the guide-vane arrangement. The evaluation was mainly based on velocity uniformity, ash deposition, and erosion risk, while NH
3 injection, SCR reaction kinetics, and NO
x conversion were not included. In contrast, the present study further extends the full-process CFD framework to SCR reactive mixing and denitrification performance by considering NH
3 injection, NH
3-NO
x matching, NSR distribution, SCR catalytic reaction, catalyst-inlet field uniformity, and NO
x removal efficiency. In addition, the investigated component is changed from guide vanes to static mixers installed downstream of the ammonia injection grid. Therefore, this work is not a repetition of the previous flow-field optimization study, but a complementary and extended investigation from SCR-inlet flow redistribution to static mixer-assisted reactive-mixing enhancement and SCR performance improvement under flexible operation of coal-fired units.
The novelty of this study lies in extending the furnace-to-SCR CFD framework to static mixer-assisted NH3-NOx reactive mixing under wide-load operation. Unlike studies using idealized uniform SCR inlet boundaries, the present work uses non-uniform inlet profiles derived from upstream hot-state furnace simulations and evaluates NH3-NOx matching, catalyst-inlet uniformity, NOx removal efficiency, and pressure-loss penalty together for representative static mixer configurations.
2. Boiler Description and Numerical Methodology
2.1. Boiler Description
A 660 MW ultra-supercritical coal-fired boiler was selected for this study. The boiler features a spiral-wound furnace, single reheating, solid slag discharge, and divided rear pass ducts. The reheat steam temperature is controlled by flue-gas temperature control dampers. The rated main steam flow rate, pressure, and temperature are 1994 t/h, 29.3 MPa, and 605 °C, respectively, while the corresponding values for reheat steam are 1671 t/h, 5.66 MPa, and 623 °C. The furnace has a depth of 15.567 m, a width of 23.193 m, and a height of 64.5 m. To control NO
x emissions, an SCR system is installed in the rear pass. The flow organization in the rear pass duct upstream of the SCR inlet and the parameter distributions at the catalyst inlet are critical to ammonia mixing and SCR catalyst performance. The overall boiler layout is shown in
Figure 1, and the main specifications are listed in
Table 1.
The unit is equipped with a positive-pressure, cold primary-air, direct-firing pulverizing system with six medium-speed coal mills, each supplying one burner layer. The burner layers are designated A to F from bottom to top. A total of 36 burners are arranged on the front and rear walls, including six DRB-4Z burners in layer A and 30 Airejet burners in layers B to F. Both burner types are low-NOx burners. The Airejet burner features a central air core, a primary-air passage, and an outer swirling secondary-air passage, which enhances gas–solid mixing and suppresses NOx formation. The DRB-4Z burner employs staged regulation of the inner and outer secondary-air streams to create a locally reducing atmosphere in the main combustion zone, thereby reducing NOx formation. To further reduce NOx emissions, SOFA nozzles are installed above the main combustion zone, with eight on the front wall and eight on the rear wall.
The pulverized-coal fineness at the mill outlet was controlled at about R90 = 20% to ensure stable ignition and satisfactory burnout. The boiler was designed for Jinbei bituminous coal. The proximate analysis, ultimate analysis, and as-received lower heating value of the design coal and the as-fired coal are listed in
Table 2. Overall, the two coals have similar combustible fractions and heating values, whereas the as-fired coal contains higher moisture and volatile matter but lower ash content. To better represent in-furnace combustion under actual operating conditions, the as-fired coal was used as the input fuel in the present calculations.
2.2. Computational Domain and Mesh
To investigate in-furnace combustion, rear-pass duct flow, and SCR performance under wide-load operation, a two-step one-way coupled furnace-to-SCR CFD framework was adopted in this study. First, a full-process hot-state combustion model covering the burner zone, main furnace, rear-pass duct, horizontal duct, and SCR inlet section was established to obtain the non-uniform flow, temperature, pressure, and species distributions under different boiler loads. As shown in
Figure 2, this model provides the upstream furnace-derived boundary information for the downstream SCR-region simulation. The calculated profiles at the SCR inlet section, including the three velocity components, turbulence quantities, static pressure, temperature, and chemical-species mass fractions, were extracted and mapped onto the inlet boundary of the detailed SCR-region model.
Second, the SCR-region model was used to simulate the ammonia injection region, downstream duct, static mixer, guide structures, and catalyst layers. In this stage, NH3 injection, NH3-NOx mixing, catalyst-inlet field uniformity, SCR reaction, NOx removal efficiency, and pressure loss were evaluated. Therefore, the SCR inlet conditions were not prescribed as idealized uniform boundaries, but were obtained from the upstream hot-state combustion simulation. The coupling was one-way, and feedback from the SCR section to the upstream furnace and rear-pass flow was neglected. This assumption is reasonable because the SCR reaction occurs far downstream of the furnace and mainly affects local species conversion and pressure loss in the SCR system. Nevertheless, this treatment cannot describe the possible feedback of SCR pressure-loss variations on the upstream draft system or boiler-side flow redistribution, which is a limitation of the present modeling framework.
As shown in
Figure 2, the computational domain was discretized using polyhedral meshes. Compared with conventional structured hexahedral meshes, polyhedral meshes offer greater flexibility for complex geometries and are more suitable for regions with complicated shapes, such as the furnace, rear pass duct bends, and the SCR inlet. They also generally provide good mesh quality and improve the computational efficiency of complex flow, heat transfer, and species transport while maintaining numerical stability and accuracy. Therefore, they are well suited to the coupled simulation of turbulence, combustion, particle transport, and heat transfer in the present study. To balance accuracy and computational cost, local mesh refinement was applied in regions with strong gradients in the flow and species fields, including the burner zone, furnace exit, rear pass duct bends, and the SCR inlet. The mesh density was further assessed through a mesh independence study, and a grid containing approximately 7.059 million cells was finally adopted for the simulations.
2.3. Numerical Models
2.3.1. Governing Equations and Turbulence Models
The governing equations include the continuity, momentum, and energy equations. The gas-phase continuity equation is given as follows [
22]:
Here, ρ is the fluid density, t is time, v is the velocity vector, and Sm is the gas-phase mass source term contributed by the particle phase.
The momentum equation is given as follows [
22]:
Here, p is the pressure, τ is the stress tensor, g is the gravitational acceleration, and F is the body force.
The energy equation is given as follows [
22]:
Here, E is the internal energy of the fluid, and hj and Jj are the sensible enthalpy and diffusive flux of species j, respectively. Sh is the energy source term.
For the first-stage full-process hot-state combustion simulation, the standard k–ε turbulence model was adopted. This model was selected because of its robustness, numerical stability, and computational efficiency for large-scale industrial boiler simulations involving coupled turbulence, pulverized-coal combustion, radiation, particle transport, and NO
x formation. Although more advanced turbulence models may provide more detailed predictions of local anisotropic vortices and small-scale secondary flows, the standard k–ε model provides a practical compromise between accuracy and computational cost for the furnace-scale combustion calculation. In addition, the predicted furnace-exit gas temperature, O
2 concentration, NO
x concentration, and carbon-in-ash were validated against field-measured data, supporting its applicability for obtaining the upstream non-uniform boundary profiles used in this study. The standard
k-ε two-equation model is adopted, and the equations are given as follows [
22]:
Here, k and ε are the turbulent kinetic energy and its dissipation rate, respectively. μt is the turbulent viscosity. Gk and Gb denote the production of turbulent kinetic energy due to velocity gradients and buoyancy, respectively. YM represents the contribution of dilatation to the dissipation rate. C1ε, C2ε, and C3ε are model constants, and σk and σε are the turbulent Prandtl numbers for k and ε, respectively.
For the second-stage detailed SCR-region simulations, the shear stress transport (SST) k–ω model was adopted. Compared with the standard k–ε model, the SST k–ω model combines the advantages of the k–ω formulation near walls and the k–ε formulation in the outer flow region, and is more suitable for flows with adverse pressure gradients, separation, reattachment, duct bends, guide vanes, and static-mixer-induced secondary flows. Therefore, it was used in the SCR-region model to improve the prediction of flow redistribution, NH
3-NO
x mixing, pressure loss, and catalyst-inlet field uniformity. In this two-step modeling framework, the standard k–ε model was used to obtain the furnace-derived inlet profiles, while the SST k–ω model was used for the detailed SCR performance evaluation. The detailed formulation of the SST k–ω model can be found in the literature [
23].
2.3.2. Lagrangian Coal-Particle Tracking Model
Since the volume fraction of pulverized-coal and fly-ash particles in the flue gas was well below 10%, particle volume effects and inter-particle interactions were neglected. Particle motion was therefore simulated using the discrete phase model. In this model, the particle force balance was solved in a Lagrangian framework to obtain particle trajectories, as given below [
24]:
Here, up is the particle velocity, mp is the particle mass, ρp is the particle density, τr is the particle relaxation time, and F represents external forces other than gravity and drag.
Two-way coupling between the particle and gas phases was considered. Particle motion was driven by drag, buoyancy, and turbulence-induced dispersion from the gas phase. Particle temperature was determined by convective heat transfer with the surrounding gas and radiative heat exchange with the gas phase. This thermal history affected volatile release, ignition, and char burnout. Meanwhile, devolatilization and combustion of the particles released volatiles and oxidation products into the gas phase and transferred sensible and reaction heat to the gas. These processes modified the local temperature, density, and thermophysical properties [
25].
2.3.3. Combustion and Radiation Models
Pulverized-coal combustion in the furnace involves moisture evaporation, devolatilization, volatile combustion, char combustion, and fuel-N conversion. The pulverized-coal particle size was described using a Rosin–Rammler distribution, with a particle diameter range of 5–100 μm and a mean diameter of 50 μm. Devolatilization was described using a two-competing-rate kinetic model, in which two parallel Arrhenius-type reactions are used to represent the low-temperature and high-temperature volatile-release processes of coal particles. Char combustion was modeled as a surface reaction jointly controlled by oxygen diffusion and intrinsic chemical kinetics.
Gas-phase volatile combustion was modeled using a non-premixed combustion model. In this model, the gas-phase thermochemical state is described by the mixture fraction and its variance, rather than by directly solving finite-rate gas-phase reaction equations. The local species concentrations, density, and temperature were obtained from the mixture-fraction/PDF formulation. The volatile matter released from coal particles was represented as an equivalent volatile pseudo-species derived from the proximate and ultimate analyses of the as-fired coal through elemental balance. In the present calculation, the volatile molecular weight was set to 30 kg kmol−1, and the corresponding equivalent volatile formula was C1.19H4.15O0.58N0.1492.
For fuel-N conversion, fuel-bound nitrogen was partitioned between volatile nitrogen and char nitrogen in the Fuel NOx model. The fraction of fuel-bound nitrogen retained in char on a dry ash-free basis was set to 0.7, while the remaining nitrogen was released with the volatile matter. The subsequent conversion of volatile-N and char-N to NO was calculated by the Fuel NOx model according to the local temperature, oxygen concentration, and combustion environment, rather than by prescribing a fixed overall fuel-N-to-NO conversion ratio.
All species were assumed to have the same diffusivity, so the species transport equations could be reduced to a mixture-fraction equation. Because elemental mass is conserved during chemical reactions, the source terms in the species transport equations cancel, and the mixture fraction becomes a conserved scalar. The governing equation for the mixture fraction is given as follows [
26]:
Here,
f is the mixture fraction,
k is the thermal conductivity,
Cp is the specific heat capacity, and
Sm is the source term. The transport equation for the mean mixture-fraction variance,
, is given as follows [
26]:
Here, σt, Cg, and Cd are constants.
Because the furnace temperature can reach 1400–1500 °C, radiative heat transfer plays a dominant role in the furnace and around platen-type heating surfaces. Therefore, radiation was included in the simulations. In the present study, the discrete ordinates radiation model was adopted. For brevity, the detailed governing equations are not repeated here and can be found in the literature [
27,
28]. In the radiation calculation, the wall emissivity of the main furnace walls and heating-surface walls was set to 0.8. This value was adopted as an engineering approximation for the overall radiative behavior of boiler heating surfaces in the present furnace-scale simulation.
2.3.4. SCR Catalyst Porous-Medium and Reaction Model
The SCR catalyst region was modeled as an equivalent porous medium. The catalyst used in the present coal-fired unit is a honeycomb-type catalyst with long, narrow, and nearly parallel channels. Based on the channel hydraulic diameter, catalyst porosity, superficial flue-gas velocity, and flue-gas properties, the Reynolds number inside the catalyst channels was estimated to be approximately 160–630 over the boiler load range of 25–100%. This indicates that the flow inside the honeycomb catalyst channels remained in the laminar-flow range. Therefore, the pressure drop across the catalyst was assumed to be dominated by viscous resistance.
In the present porous-medium model, the general Darcy–Forchheimer momentum source term was written as [
29]:
where S is the momentum source term, μ is the dynamic viscosity of the flue gas, α is the permeability of the porous catalyst region, C
2 is the inertial resistance coefficient, ρ is the flue-gas density, and v is the superficial velocity vector. According to the above Reynolds-number estimation and the laminar-flow assumption for the honeycomb catalyst channels, the inertial resistance coefficient C
2 was set to zero in this study. Thus, only the Darcy-type viscous resistance term was retained in the actual calculation.
For the SCR denitrification reaction, the standard SCR reaction was considered as the dominant NO reduction pathway because NO is generally the major component of NO
x in coal-fired flue gas [
30]:
In the present engineering-scale CFD model, the SCR reaction rate was implemented using the finite-rate Arrhenius form:
where k is the reaction rate constant,
A is the pre-exponential factor,
n is the temperature exponent,
Ea is the activation energy,
R is the universal gas constant, and T is the gas temperature. The literature-based apparent kinetic parameters for the standard SCR reaction were adopted from Ma et al. [
31]. Specifically,
A = 3.18 × 10
8 s
−1,
n = 0, and
Ea = 8.80 × 10
4 J mol
−1 were used. Although the temperature exponent n is zero, the temperature dependence of the reaction rate is still retained through the Arrhenius exponential term containing
Ea.
This treatment was adopted because the present study focuses on the engineering-scale effects of static mixer-assisted NH3-NOx mixing and catalyst-inlet field uniformity, rather than detailed catalyst microkinetics. The apparent global reaction model is sufficient to evaluate the relative effects of different mixer configurations on NH3-NOx matching, catalyst-inlet uniformity, and overall NOx removal performance. More detailed SCR kinetic models may include NH3 adsorption/desorption, NH3 oxidation, NO2-related fast SCR reactions, slow SCR reactions, NO oxidation, and other side reactions. These mechanisms may affect the absolute local reaction rate, NH3 slip, and by-product formation. However, because the same reaction model, kinetic parameters, and operating conditions were used for all compared cases, the relative trends among the tested static mixer configurations are expected to remain reliable. Therefore, the simplified apparent global kinetic model is considered appropriate for the comparative purpose of this engineering-scale CFD study, while its limitations in describing detailed catalyst microkinetics and side reactions are acknowledged.
2.4. Boundary Conditions and Operating Conditions
Four typical boiler loads of 100%, 75%, 50%, and 25% were selected for the numerical simulations, and the corresponding operating parameters are listed in
Table 3. The corresponding coal feed rates were 255.0, 197.2, 130.5, and 74.1 t/h, respectively. As the boiler load decreased, the primary air temperature dropped from 77 °C to 58 °C, while the secondary air temperature decreased from 332 °C to 298 °C. To reflect the actual air-supply characteristics at low load, the excess air ratio was gradually increased from 1.15 to 1.25. The burner arrangement was also adjusted with boiler load. At 100% load, layer A burners, layer B burners, layer C burners, layer E burners, and layer F burners were in service. At 75% load, layer A burners, layer B burners, layer C burners, and layer E burners were in service. At 50% load, layer A burners, layer B burners, and layer E burners were in service. At 25% load, only layer A burners and layer B burners were in service. These conditions reasonably represent actual boiler operation over a wide load range, especially under deep load regulation conditions.
In the SCR system calculations, NH3 with a volume fraction of around 3% was used as the reductant. The NH3 injection rate was determined from the flue-gas flow rate, the NOx concentration at the SCR inlet, and the prescribed normalized stoichiometric ratio. The normalized stoichiometric ratio, abbreviated as NSR, was defined as the molar flow rate of injected NH3 divided by the molar flow rate of NOx at the inlet. It represents the NH3 supply per mole of NOx and characterizes the matching between NH3 injection and NOx concentration.
To ensure comparability among different boiler loads and static mixer configurations, the NSR was fixed at 1.0 in all cases. This setting was used to isolate the effects of flow organization and NH3-NOx mixing from the influence of total ammonia supply, so that the role of static mixer-assisted mixing could be evaluated more clearly. Changing NSR would affect the absolute SCR performance. A higher NSR may increase NOx removal efficiency, but it also increases the risk of local NH3 excess and NH3 slip. In contrast, a lower NSR may reduce NH3 slip, but it can lead to insufficient NH3 supply and lower denitrification efficiency. Therefore, the present conclusions mainly reflect the relative effects of flow and mixing improvement under the same ammonia-supply condition.
The wall boundary conditions were specified according to the physical characteristics of different wall regions. All solid walls were treated as no-slip walls, and wall roughness was not considered. For heat-transfer surfaces, including the furnace water walls and enclosure-wall heating surfaces, prescribed wall-temperature boundary conditions were applied. The wall-temperature values under different boiler loads were determined from boiler design data and operating data. For wall regions without heat-transfer surfaces and with external insulation, adiabatic boundary conditions were used.
The modeling framework used in this study is applicable not only to the present boiler, but also to similar coal-fired units in which upstream combustion conditions strongly affect SCR inlet fields and denitrification performance. By coupling furnace combustion, rear-pass duct transport, NH3 injection, NH3-NOx mixing, and SCR reaction, this method can be used to diagnose SCR performance deterioration caused by non-uniform temperature, velocity, and NOx distributions, and to evaluate retrofit measures such as ammonia injection adjustment, guide-vane modification, and static mixer installation. However, when applied to other units, the boiler geometry, operating parameters, catalyst properties, and field validation data should be updated accordingly.
The numerical simulations were performed using ANSYS Fluent 2019 R3 (ANSYS Inc., Canonsburg, PA, USA). A pressure-based steady-state solver was employed. Pressure-velocity coupling was handled using the SIMPLE algorithm, and the convective terms were discretized with a second-order upwind scheme. The standard k–ε model was used in the first-stage full-process hot-state combustion simulations, whereas the SST k–ω model was used in the second-stage detailed SCR-region simulations. Appropriate under-relaxation factors were applied to facilitate convergence. For both simulation stages, the iterations were continued until the residuals of the energy and radiation equations were below 10−6, while those of the remaining equations were below 10−3.