The conferred assumptions are considered during the development of the model:
The system’s conditions are assumed in isothermal state to explore the adsorption kinetics of carbon dioxide in coal seam. This is very crucial for understanding the dynamic response of coal to carbon dioxide sorption under various equilibrium pressures.
All the physicochemical and mechanical variables are constant and uniformly distributed. These variables have the possibility to change the coal seam structures by affecting the stress state of overlying rock strata. Variation of mechanical properties of coal seam can lead to create problems during the measurement of the integrity and safety of storage scheme under storage conditions.
The behavior of coal in a linear poroelastic medium is isotropic. The mathematical approach in poroelastic medium could be more useful than the conventional elastic medium in cases of fluid content that can move within the pore space.
The flow of gas is considered in single phase for the Darcy’s law, as water flow is less significant compared to the methane recovery in this study.
Besides these, few assumptions may have to be justified by taking into account the situations where gas injection initiates at the final stage of the so-called initial recovery operation. Actually, the major amount of water originally remained in the reservoir, is removed during the initial recovery operation and the rest fraction of the water is considered immobile undoubtedly (Pini et al. 2011; Pan et al. 2017). The two principal components that form the model are needed for representing the two aspects of the recovery operations. First one is known as mass transfer balances for gas flow and sorption, and the second one is as stress–strain relationship to describe the alternations of porosity and permeability at the time of injection. Here, the model is slightly extended for multi-component single-phase (gas) displacement in a coal seam, where the previous studies have applied this model successfully for interpreting pure gas injection experiments into coal seam.
Mass balances
In fact, coal reservoirs can be considered as a fracture system with high permeable fracture network and low permeable coal matrix. In this work, the overall porosity of the coal is symbolized by \(\varphi_{\text{t}}\), which is further divided into cleat porosity, \(\varphi_{\text{c}}\), and macroporosity, \(\varphi_{\text{p}}\). The microporosity of the coal is being accounted as a part of the solid particle, i.e.,
$$\varphi_{\text{t}} = \varphi_{\text{c}} + \left( {1 - \varphi_{\text{c}} } \right)\varphi_{\text{p}}$$
(1)
Both the gas pressure and concentration across the fractures and macropores are set to be constant during the sorption process, as this process is considered as a rate-restricting stage. Material balance for a system of nc components is noted for each component, i:
$$\frac{{\partial \left( {\varphi_{t} c_{i} } \right)}}{\partial t} + \frac{{\partial \left[ {\left( {1 - \varphi_{t} } \right)n_{i} } \right]}}{\partial t} + \frac{{\partial \left( {uc_{i} } \right)}}{\partial z} = 0,\quad i = 1 \ldots n_{c}$$
(2)
where ni = adsorbed phase concentration of component, i; ci = actual gas concentration of component, i; u = superficial velocity; t = time coordinate; z = space coordinate.
A pressure gradient of nearly 4 MPa through the coal seams exists for the whole duration of the continuous gas injection operation, where axial dispersion is ignored. Not only that, but also the influence of diffusion in the fractures is negligible under such conditions and assumes that the flow is controlled by convection. The conservative analysis of Peclet number (the ratio of the characteristic time for convection to the characteristic time for diffusion) can help to justify this conclusion and some conditions assumed in this study. Axial mixing can be ignored safely for the value of Peclet number at 600 and a diffusion coefficient of 10−5 m2/s.
A linear driving force equation is applied to interpret the sorption rate of component i through the coal’s matrix, i.e.,
$$\frac{{\partial \left[ {\left( {1 - \varphi_{t} } \right)n_{i} } \right]}}{\partial t} = \left( {1 - \varphi_{t} } \right)k_{\text{mi}} \left( {n_{i}^{*} - n_{i} } \right),\quad \left( {i = 1 \ldots \ldots n_{c} } \right)$$
(3)
where kmi = the mass transfer coefficient of component, i.
Here, the driving force-initiated gas sorption is the difference between the adsorbed phase concentrations of component in equilibrium state, ni, for component i. The first one is expressed by an equilibrium adsorption isotherm, i.e.,
$$n_{i}^{*} = \rho_{s} \frac{{n_{i}^{\infty } b_{i} y_{i} P}}{{1 + P\mathop \sum \nolimits_{j = 1}^{{n_{c} }} b_{j} y_{j} }},\quad i = 1 \ldots \ldots ,n_{c}$$
(4)
where \(n_{i}^{*}\) = the adsorbed concentration of component i per unit volume of coal in the solid particle; \(n_{i}^{\infty }\) = saturation capacity per unit mass adsorbent; \(\rho_{s}\) = adsorbed total density; \(y_{i}\) = molar fraction of gas; \(P\) = equilibrium pressure; \(b_{i}\) = equilibrium constant of Langmuir model for component, i.
The superficial velocity u is defined by Darcy’s law as follows:
$$u = v\varphi_{c} = - \frac{k}{\mu }\left( {\frac{\partial P}{\partial z}} \right)$$
(5)
where \(\mu\) = the dynamic viscosity; \(v\) = the interstitial velocity; \(k\) = the permeability.
Stress–strain relationship
For interpreting the mechanical characteristic of coal seams at the time of injection operation, a stress–strain interactive model is required. The fluid pressure keeps a decisive influence in estimating the stress condition of the reservoir, thus affecting notably the porosity and the permeability of the fracture networks (Cui et al. 2007; Gray 1987).
Initially, the fractures are shut down or extended, depending on whether the effective pressure on the rock is enhanced or belittled. Here, effective pressure is defined as lithostatic overburden minus the fluid pressure. Moreover, the openings of the fracture network are closed when the coal starts swelling upon gas sorption. Now, an equation is written to have the following usual form in the case of coal (Bustin et al. 2008; Durucan and Shi 2009):
$$\frac{k}{{k_{0} }} = \left( {\frac{\varepsilon }{{\varepsilon_{0} }}} \right)^{3} = { \exp }\left[ { - C_{1} \left( {P_{c} - P} \right) - C_{2} s} \right]$$
(6)
where \(p_{c}\) = the lithostatic overburden (confining pressure); s = total swelling; \(c_{1} {\text{and}} c_{2}\) = two constant parameters of coal properties; subscript, 0 = indicates an arbitrary factor elected for initial state.
In this study, the reference magnitudes of porosity and permeability are applied to a non-deformed coal in contact with a non-swelling gas at ambient pressure. It is worth much to mark out that an extreme pressure is confined with high-pressure gas injection operation on coal cores for validation purpose.
Now, a Langmuir-derived model can be effectively interpreted for the coal swelling study, which is further extended in an analogous way for gas sorption mixtures as (Pini et al. 2011; Pan et al. 2017; Durucan and Shi 2009):
$$s_{i} = \frac{{s_{i}^{\infty } b_{i}^{s} p}}{{1 + p\mathop \sum \nolimits_{j = 1}^{{n_{c} }} b_{j}^{s} y_{j} }},\quad \, i = 1 \ldots ..,n_{c}$$
(7)
where \(s_{i}^{\infty } {\text{and}} b_{i}^{s}\) = the corresponding parameters for isotherm conditions.
An equation indicating the total swelling as a function of gas sorption is derived by combining Eqs. (4) and (7) to maintain the physical relationship between sorption and swelling. However, this derived equation additionally allows the consideration of kinetic phenomena of swelling process and describes the total swelling using the sorption rate provided by Eq. (3) as:
$$s = \mathop \sum \limits_{i = 1}^{{n_{c} }} s_{i} = \frac{{\mathop \sum \nolimits_{i = 1}^{{n_{c} }} \alpha_{i} \beta_{i} n_{i} }}{{1 - \mathop \sum \nolimits_{j = 1}^{{n_{c} }} \alpha_{i} n_{i} }}$$
(8)
where \(\alpha_{i} {\text{and}} \beta_{i}\) = Langmuir parameters of the sorption and swelling isotherms, i.e.,
$$\alpha_{i} = \frac{{b_{i} - b_{i}^{s} }}{{\rho_{s} n_{i}^{\infty } b_{i} }},\quad \, i = 1 \ldots \ldots ., \, n_{c}$$
(9a)
$$\beta_{i} = \frac{{b_{i}^{s} s_{i}^{\infty } }}{{b_{i} - b_{i}^{s} }},\quad \, i = 1 \ldots \ldots , \, n_{c}$$
(9b)
Nevertheless, it should be noted that Eq. (8) is only valid for 0 ≤ ni ≥ n∞i.
Solution procedure
The problem is ascertained by Eqs. (1)–(6) and further accomplished by the following fundamental models: (a) the Peng–Robinson equation of state, required to include gas density with temperature and pressure, and (b) an additional relationship for evaluating the gas mixture viscosity using a method of Wilke. Now, the initial conditions along with boundary conditions are written as follows:
Initial conditions: when t = 0, ci = c0i, 0 ≤ z ≤ L
$$n_{i} = n_{i}^{0} , \, 0 \le z \le L$$
Boundary conditions: when z = 0, ci = cinji, t > 0
$${\text{when}}\,z = L, \, P = P_{\text{out}} , \, t > 0$$
Here, the orthogonal layout method has been employed to discretize the PDEs in space. However, the resulting approach of solving ordinary differential equations has been done numerically by applying a commercial ODEs solver (in Fortran).
Parameter estimation
A comprehensive set of experimental data of few previous works has been generated and correlated with referencing to the present study to calculate the sorption and swelling isotherms of CH4, CO2, and N2 that have been fitted using the Langmuir model and delineated in Fig. 3 (Pini et al. 2011; Yamaguchi et al. 2006). Now, a uniform magnitude is assumed for converting the estimated extended sorption isotherms to the absolute sorption isotherms for the adsorbed phase density before initiating fitting work, such as 36.7 mol/L, 42.1 mol/L, and 47.1 mol/L for CO2, CH4, and N2, respectively. The magnitudes of the fitted parameters are provided in Table 2.
Table 2 Langmuir constants for the sorption and swelling isotherms for the coal considered in this study In principle, based on the particular simplified stress condition of the coal bed, the parameters C1 and C2 in Eq. (6) can be measured upon the mechanical features only. After evaluating the field conditions of coal bed, the relationships for the coefficients of C1 and C2 are provided in Table 3. The two elastic input parameters used in the bulk modulus equation for all applied models, i.e., \(K = E_{y} /\left[ {3\left( {1 - 2v} \right)} \right]\), are defined as Young’s modulus of elasticity \(E_{y}\) and Poisson’s ratio v, respectively. But, in the model for a fracture derived by Shi and Durucan, Ef can be compared with the Young’s modulus, whereas fracture compressibility is defined as Cf (Bustin et al. 2008; Gilman and Beckie 2000). In a resembling way, the additional model derived by Pini et al. is used in an experiment for two purposes. First one is to achieve the values of Ce for non-swelling or non-adsorbing gas, whereas the second one is to obtain the values of Cs for swelling or adsorbing gas. (Further details are explained in the next section.) Finally, the parameters required for the two coefficients in the Peng–Robinson EOS (equation of state) are reported in Table 4.
Table 3 Constants C1 and C2 of Eq. (6) as achieved from different permeability models Table 4 Thermodynamic properties of N2, CH4, and CO2 for the Peng–Robinson EOS Model evaluation
A numerical representation for a coal seam underlying at 500 m depth is explained here, in which the applied properties are obtained from Barapukuria Coal Field (Dinajpur, Bangladesh). The input values of the properties for simulation model are synopsized in Tables 5 and 6. The value of coal permeability has been chosen between 1 and 10 mD to match for coal beds. For a sorption time constant \(\tau = 1/k_{\text{mi}}\) of around 1.5 days, a coefficient of mass transfer has been selected at 10−5 s−1, in comply with the parameters applied in reservoir simulation and additionally from the carried out experiments. The production well’s pressure is held uniform at a magnitude of Pout = 0.1 MPa, and the injection pressure at a value of Pinj = 4 MPa is assumed to be slightly minimal than the corresponding hydrostatic pressure of the coal seam at 50 MPa. However, during the initiating moment of injection operation when the CH4 gas is saturated 100%, the reservoir pressure is not higher than the hydrostatic pressure and simply has taken a magnitude of P0 = 1.5 MPa. (The scenario may be different during the coal bed primary production.)
Table 5 Input parameters for the model (Pini et al. 2009) Table 6 Parameters for the permeability relationship in Eq. (6) (Pini et al. 2009) For highlighting the influence of permeability changes on gas the flow dynamics at the time of ECBM process, two cases have been observed, which vary in the magnitude of the constant parameter C2, in Eq. (6). Firstly for “Case A,” to estimate Cs that indicates as the weighted average among the three components, the magnitudes of the parameter Cs,i (for each component i) have been obtained from the experiment, i.e., \(C_{s} = \mathop \sum \nolimits_{i = 1}^{{n_{c} }} C_{s,i} s_{i}\), where xi denotes for the fractional swelling (si/s) and values of \(C_{s,i}\) held for CH4, CO2, and N2 are 0.624, 1.479, and 2.336, respectively. Now for “Case B,” we will consider it as robust swelling case, that is why the value of \(C_{s,i}\) has been taken four times higher than the previous case for CO2 and also has been set for other components and the value of these given parameters is given in Table 6. To compare the values of these parameters with the values from other studies, they are reported simultaneously with using a likable stress–strain relationship. In addition, it is notable to see that the initial values of porosity used in this study are quite larger than those previous studies. The main reason behind this fact is its difference to referred condition (zero, 0). This condition refers to a state where no fluid pressure or no confinement is presented (unstressed state); on the other hand, this similar thing is defined as initial reservoir condition in the other studies. Thus, the overburden stress can get an opportunity to take into account in this study.