2.1. Problem Description and Primary Model
The exhaust heating system is composed of an HC doser, the DOC, and the exhaust of a diesel engine. The investigation concerns the thermal performance of the DOC with diesel droplet oxidation inside. The HC doser is located downstream of the exhaust gas recirculation (EGR), which is the inlet of the DOC. After dosing, the diesel droplets are directly injected into the exhaust flow. These droplets continuously evaporate and are converted to gaseous hydrocarbon species in the gas phase. Then, the species are absorbed by the active sites on the surface of the DOC substrate via mass diffusion before reacting. The process is shown in
Figure 1.
After the catalytic reaction, the hydrocarbon species are converted to carbon dioxide and water in the active sites. Then, products are released to the gas phase. The reaction is an exothermic reaction. Hence, the DOC substrate and exhaust are heated up by the exothermic process and reach the target temperature for DPF regeneration or some other utilization. The model of DOC thermal dynamics with post-injection was proposed by researchers [
22]. Compared with previous models, the DOC thermal dynamics models using an HC doser have some differences. The diesel droplets, which are at room temperature, are injected into a hot exhaust. Hence, the heating up and thermolysis of the droplets need to be considered inside the DOC. The assumptions about the model are as follows:
- (1)
The model is a one-dimensional model, which is uniform in the radial direction;
- (2)
The species, such as NOx, HC, and CO, in the original exhaust are eliminated, because the order of the magnitude is less than the effect of the dosing species;
- (3)
The heat conduct term is eliminated, because Pe > 50, according to the investigation of Lepreux [
22];
- (4)
The endothermic effect of the droplet evaporation is eliminated in the gaseous energy balance, because the order of magnitude is less than the exothermic effect of the catalytic reaction.
These assumptions are reasonable under general diesel engine conditions. In the exhaust pipe of the DOC, the airflow is uniform in the radial direction. Hence, a one-dimensional model for the DOC reaction is widely used by researchers. The concentration of the dosing species is more than 15,000 ppm for the heating-up exhaust. As for the original species, the concentration is lower than 1000 ppm under all conditions; thus, the original species can be eliminated in the diesel exhaust heating model. The reason for eliminating the conduct term of the DOC model is given in Lepreux’s research [
22]. For the evaporation of diesel droplets, the endothermic effect is only 4.64 × 10
4 J/mol, which can only generate a 1–5-K fluctuation in the exhaust temperature. However, the chemical reaction of hydrocarbons has an exothermic effect of more than 4.0 × 10
6 J/mol, which is 100 times more than the evaporation effect. As a result, the endothermic effect of the droplet evaporation is eliminated in the gaseous energy balance. For more details of the energy balance and mass balance inside the DOC, readers can refer to prior investigations [
13,
14,
15,
16,
17,
18,
19,
20,
21,
22]. The model is proposed as follows:
Mass balance:
where subscript
s refers to the solid phase, and subscript
g refers to the gas phase.
Ci,g is the molar fraction of species
i in the gas phase,
ε is the porosity of the DOC,
F is the mass flow rate of the exhaust,
km,i is the mass transfer coefficient,
S is the geometric surface area-to-volume ratio,
aPt is the catalytic surface area-to-volume ratio (volume represents the volume of the control unit),
ri is the rate of the reaction of species
i,
Acell is the mean cell cross-sectional area,
λg is the thermal conductivity of gas,
ht is the convective heat transfer coefficient between the gas and solid, c
p is the specific heat, Δ
Hk is the enthalpy of chemical species
k, and
aPt’ is the amount of catalyst coating.
The chemical reaction includes gaseous reactions and solid-phase reactions. Compared with in-cylinder post-injection, gaseous reactions are specific in this system. In this paper, gaseous reactions adopt the model, proposed by Ning, with some changes [
26]. The reason is that, in the actual thermolysis process of diesel, small-molecule hydrocarbons vaporize first. Hence, the thermolysis is divided into two steps, considering the actual diesel fuel thermolysis and evaporation. Meanwhile, stoichiometry rebalances, considering the main species C
7H
8 in diesel fuel l (DF1) and C
10H
22 in diesel fuel 2 (DF2).
The catalytic reaction in the solid phase of the DOC was investigated by researchers for years. The reaction is shown in Equations (7)–(9).
The gaseous reaction reflects the thermolysis and evaporation of diesel fuel droplets. The reaction is a continuous vaporization process for small-molecule hydrocarbons. Hence, it can be treated as a decomposition process. The decomposition rate is expressed by the Arrhenius form in Equations (10) and (11).
In the equations,
rliq is the reaction rate of the first step of thermolysis (Equation (5)), reflecting the generation rate of
C3H6 (DVF) and diesel residue. Furthermore,
rresid is the reaction rate of the second step of thermolysis (Equation (6)), reflecting the generation rate of DF1 and DF2.
Aliq is the pre-exponential factor of Equation (5).
Eliq is the activation energy of Equation (5). C
liq is the gaseous species concentration of diesel fuel in Equation (5). Similarly,
Aresid is the pre-exponential factor of Equation (6).
Eresid is the activation energy of Equation (6). C
resid is the gaseous species concentration of diesel residue in Equation (6). Finally, n in Equations (10) and (11) represents the reaction order of diesel fuel thermolysis. It requires identification using experimental calibration.
Considering the reaction rate in the solid phase of the DOC, the LH form is widely used in DOC investigations [
13,
14,
15,
16,
17,
18,
19,
20]. The chemical kinetics of the DOC, proposed by Kryl [
14], were recognized by researchers [
15,
16,
17,
18,
19,
20]. Hence, in this paper, the rate model is adopted, with some changes. It is shown in Equations (12)–(14).
In Equations (12)–(14), rs,C3H6 is the reaction rate of C3H6 on the surface of the catalyst, rs,DF1 represents the surface reaction rate of DF1, and rs,DF2 represents the rate of DF2. The numerator term reflects the reaction rate, which contains the pre-exponential factor, activation energy, and molar concentrations of the reactants. The denominator is the coverage of the adsorbed species in the LH equations. The Arrhenius form is also adopted in the denominator term. The pre-exponential factor and activation energy in the inhibitory term are usually treated as correction factors. These factors are identified by calibration.
2.2. Order Reduction of Energy Balance
The order reduction is based on the energy balance equations of the primary model. Two simplified factors, proposed by Lepreux [
22] (
k1 and
k2), are adopted. After consolidation and simplification, the equations are as follows:
where
T(
x,
t) refers to the temperature in the axial position of
x at time
t, and
Φ(
x,
t) refers to the energy source term of the hydrocarbon reaction. The source term can be simplified, as shown in the following section. The boundary conditions of the temperature in the time dimension and space dimension are defined as Equation (17), according to experimental data. Based on the boundary conditions of the model, a real-time temperature can be divided into two parts, as shown in Equation (18), where
Tg_noinj(
x,
t) and
Ts_noinj(
x,
t) represent the temperature with no dosing.
Tg_noinj(
x,
t) and
Ts_noinj(
x,
t) are only influenced by the working condition parameters. The net temperature induced by HC dosing is written as Δ
Tg(
x,
t) and Δ
Ts(
x,
t). In the following equations, our main purpose is to research the characteristics of the net temperature induced by HC dosing.
On the basis of the above equations, Equations (15) and (16) are transformed into the Laplace form as follows:
τ(
x,
s) is defined as a convolution function and is used for the simplification of the space derivative as follows:
The Laplace form of the above equation is
τ(
x,
s) is a factor that represents the difference between ∂Δ
Tg/∂x and Δ
Tg/x. We assume that the difference between ∂Δ
Tg/∂x and Δ
Tg/
x does not change much in the heating process. Thus, the difference can be treated as a supplementary constant
β(
x) to be expressed. The physical meaning of
β(
x) is the ratio of the net temperature gradient to the net temperature slope. This is shown in Equation (22).
Hence, Equation (19) is transformed into
According to the definition, the relationship between
Tg and
φ is a second-order linear transfer function under some conditions, in which it has little variation in the exhaust flow rate and little variation in
β(
x). In general, in the heating-up process, the relation is a second-order time-varying process. Simultaneously, the linear form of
Ts is shown in Equation (24).
From the equations, the net temperature of the exhaust is simplified as a second-order system with two poles. In comparison, the net temperature of the DOC substrate is a second-order system with two poles and one zero. The addition of the zero will induce a faster heating-up process in the DOC substrate than in the gas phase. The result is identical with the actual thermal dynamics of the DOC heating-up process. Equation (24) can be written as follows:
where
K is an amplification coefficient, which reflects the conversion ability of the reaction heat to the exhaust net temperature. A higher
K induces a higher net temperature, with the same source term of energy.
Tw is a time coefficient, which reflects the time required to reach a steady state. A higher
Tw induces a longer time to reach a steady state of the system.
ζ is a damping ratio, which reflects the stability and resistance of the system. A higher
ζ induces greater resistance in the heating-up and cooling-down processes but less overshoot in stability. The three factors define a second-order system. The solid phase has a similar form; thus, it is eliminated. In this reduction, the thermal dynamics of the DOC are equivalent to a catalytic heater. The heater constructs a second-order relationship between the energy source
Φ and outlet exhaust temperature, as shown in
Figure 2.
2.3. Relationship between the Φ and Dosing Rate of Diesel Fuel
The equations above propose a second-order linear model between the input
Φ and outputs Δ
Tg and Δ
Ts. As for the relationship between the
Φ and dosing rate of diesel (
uinj), it is hard to reduce it, because the process from the dosing pulse width to the source term energy involves evaporation, thermolysis, mass transfer, absorption, catalytic reaction, and desorption. In this paper, the source term of input
Φ is estimated by the oxygen sensor in engineering. Hence, the comparison of
Φ and
uinj can be directly experimentally investigated. The experimental relationship between input
uinj and output
Φ is shown in
Figure 3. In this investigation, three different dosing rates are experimentally investigated under a 1600 r/min 50% torque condition, 2000 r/min 50% torque condition, and 2400 r/min 50% torque condition. The dosing parameters are 40 Hz, 1000 μs (Inj1); 40 Hz, 1500 μs (Inj2); and 40 Hz, 2000 μs (Inj3).
It is worth mentioning that r/min is the unit of the engine speed, which represents the revolutions per minute. The torque percentage is the ratio of the current torque to the current engine speed maximum torque. This is a general method for condition division in diesel engineering. The dosing rate is controlled by pulse width modulation (PWM). Hence, Hz is the unit of frequency, and μs is the time unit of the dosing pulse width.
The step response of
uinj in the reaction model has approximate first-order characteristics. However, it costs less than 3 s to reach the peak value after dosing. As for the other conditions, the time to reach a steady state of oxygen consumption is most often less than 5 s. The statics of time are shown in
Figure 4, according to hundreds of experimental groups. From the figure, about 88.2% of groups need less than 5 s to reach the steady state of oxygen consumption. Only light-load conditions, which have a lower mass flow rate, take more time to reach the steady state of oxygen consumption. As for the whole heating-up process of the DOC, most conditions need more than 60 s to reach the peak temperature in the outlet. The oxygen consumption rate is determined by the catalytic rate of C
3H
6, DF1, and DF2. The equation is shown in Equation (26).
where
tp represents the necessary time for the oxygen rate to approximately reach steady state. From Equation (16), the energy release is shown. It consists of
rs,C3H6,
rs,DF1, and
rs,DF2. Generally speaking, a quick approach to steadying the oxygen rate can correspondingly induce a quick approach to steadying the state of energy release (
Φ). In other words, once the injection starts, the conversion of chemical energy to thermal energy inside tends to approximately steady the state very quickly. This conclusion is drawn from different simulations. Interested readers can simulate the model or refer to our
Supplementary Materials. Because of the limitation of space, the simulation results are omitted here.
While the connections between Φ and the dosing rate are composed of different chemical processes, a fast response relationship in the time dimension is adopted, according to the experimental result. The chemical conversion is reflected in the factor of K.
As a result, the relationship between the input
uinj and output
Φ is treated as a zero-order transfer function, because
Φ has a very quick response under most conditions, according to experimental data. The reduced model is shown in
Figure 5.
The uinj in actual engineering has a different unit. For the physical process, the uinj represents the HC dosing rate. As for ECU, the uinj represents the dosing pulse width. However, the different unit of uinj can be modified by K in the transfer function. Tw and ζ remain unchanged with different units of uinj. Hence, uinj is normalized to eliminate the effect of the unit in the following section.
According to our derivation and assumption, the DOC thermodynamic model is reduced to a second-order time-varying model.