1. Introduction
Diffusion processes hold a position of utmost significance in science. These processes, ranging from the spread of heat through materials to the dispersion of molecules in fluids, play a pivotal role in understanding various phenomena across diverse scientific disciplines. Traditionally, diffusion has been effectively described using classical, integer-order differential equations, such as Fick’s second law or the heat equation. However, these conventional models fail to capture the intricacies observed in systems characterized by anomalous behavior. For example, different aspects such as interactions between particles and memory effects have limited the classical approach in describing a large variety of experimental problems [
1].
One way to overcome the shortcomings of the classical approach involving integer-order differential equations is to instead use time-fractional diffusion equations, which have been found useful in many real-life processes where anomalous diffusion occurs [
1,
2,
3,
4,
5]. In the current paper, we consider the numerical solution of time-fractional diffusion equations corresponding to sub-diffusive models, where the order of the time-fractional differential operator belongs to 
. Sub-diffusion refers to situations where particles spread more slowly than predicted by classical models [
1].
Since finding an exact solution to a time-fractional diffusion equation is not usually feasible in practice, the development of effective numerical methods is crucial for solving real-world diffusion problems. One of the more popular approaches is to use finite difference methods for the numerical solution of time-fractional diffusion equations (see [
6,
7,
8,
9,
10,
11,
12,
13,
14,
15] and the references therein). These methods usually discretize the spatial and temporal domains and approximate the derivatives using appropriate difference formulas. On the other hand, in the numerical solution of ordinary fractional differential equations, an often-used approach is to convert the fractional differential equation to a weakly singular integral equation and to solve the transformed equation using a collocation-type method (see, for example [
16,
17,
18,
19,
20]). However, only a few researchers have considered the numerical solution of time-fractional diffusion equations by collocation methods [
21,
22,
23,
24] (see also [
25]). In collocation methods one looks for an approximate solution in a finite-dimensional space and determines the approximate solution by requiring that it satisfies the equation on an appropriate finite set of points (on the so-called collocation points). If initial or boundary conditions are present, then the collocation solution will usually be required to fulfill these conditions, too. In particular, collocation methods that use polynomial splines and special non-uniform grids take into account the possible singular behavior of the exact solution of weakly singular integral equations. Moreover, these methods usually enable us to obtain a stable and high-order procedure with uniform convergence on the whole interval of integration. Therefore, in the present article, we are interested in developing a numerical scheme for time-fractional diffusion equations that combines space variable discretization and the classical piecewise polynomial collocation method on a non-uniform grid, where the grid points reflect the possible singular behavior of the underlying solution.
The space variable discretization (sometimes also called the method of lines [
26]) is a technique that involves discretizing with respect to the spatial variables and treating the resulting system as a set of coupled fractional ordinary differential equations. For our problem, this allows us to remodel the time-fractional diffusion equation into a system of ordinary fractional differential equations. To solve the obtained system of fractional differential equations, we reformulate it as a system of weakly singular Volterra integral equations of the second kind and employ a suitable collocation method for finding approximate solutions. Our approach enables us to construct a high-order numerical method for solving the sub-diffusion problem, despite the fact (see [
12,
27,
28]) that the temporal partial derivatives of solutions of time-fractional diffusion equations have, in general, weak singularities at the initial time 
. It is worth mentioning that we can achieve a sufficiently high convergence order even when using polynomials of low degree.
The rest of the paper is organized as follows: In 
Section 2, we present the underlying problem and necessary notations. Next, in 
Section 3, we use the method of lines to create a system of ordinary fractional differential equations. In 
Section 4, we reformulate this system as a system of integral equations and study the regularity properties of its exact solution. Then, we introduce a collocation-based method for finding approximate solutions in 
Section 5 and study the convergence and convergence order of the proposed method in 
Section 6. In 
Section 7, we test our theoretical error estimates using some numerical experiments.
  2. Time-Fractional Sub-Diffusion Model
Consider the time-fractional sub-diffusion equation
      
      subject to the following boundary and initial conditions: 
Here, 
 is the unknown function, 
, 
p is a positive constant (sometimes called the general diffusion coefficient), 
 with 
, 
 and 
, where 
. Furthermore, 
 denotes the 
-order Caputo fractional derivative of 
 with respect to the variable 
t, which, for 
, is defined [
29,
30] by
      
      where 
 is the Euler gamma function: 
 For one-dimensional absolutely continuous functions, 
y, on 
, we will use the simplified notation, 
, for the Caputo fractional derivative of 
y:
Using 
 and 
, with 
, 
, we denote the sets of 
m times continuously differentiable functions on 
 and 
, respectively; for 
, we set 
 and 
. In particular, 
 denotes the Banach space of continuous functions, 
w: 
, with the usual norm, 
: 
. Below, we will also use the following notations. For
      
      the writing 
; for 
, we set 
) means that 
, 
; note that 
 is a Banach space with respect to the norm
      
Using 
, we denote the space of all essentially bounded measurable functions 
, such that
      
      where 
 means that the Lebesgue measure of the set 
 is equal to zero. For 
, the writing 
 means that 
, 
, and 
 is a Banach space with respect to the norm
      
Finally, let X and Y be some linear spaces, and let  be a given operator. Then, for a fixed  and vector  with , by  we denote the vector , with .
Note that without the loss of generality, we can consider Equation (
1) only with homogeneous boundary conditions (
2) and (
3) since, in the case of more general boundary conditions
      
      where 
 and 
 are some sufficiently smooth functions on 
, Problem {(
1), (
4), (
6)} is easily transformed to a problem with homogeneous boundary conditions. Indeed, introducing (see, e.g., [
31]) an auxiliary function 
 by
      
      the inhomogeneous boundary conditions (
6) for 
u are transformed to the homogeneous boundary conditions for 
v: 
, 
. Moreover, we see that both Equation (
1) and the initial condition (
4) maintain their original form with respect to the new unknown function 
v:
      where
      
      and
      
      where
      
For the existence and uniqueness of a classical solution 
u to (
1)–(
4) (that is, 
 and 
 both exist in 
Q and 
u satisfies (
1)–(
4) pointwise), we refer the reader to [
31]. The regularity properties of solutions 
u to (
1)–(
4) are described in [
12] (see also [
14,
28,
31,
32]). In particular, the smoothness of all the data of (
1)–(
4) does not imply the smoothness of the solution 
u in the closed domain 
, and the essential feature of all typical solutions to (
1)–(
4) is that the first-order derivative, 
, in general, blows up as 
 (see [
12]). This is a significant obstacle for constructing high-order methods for the numerical solutions to (
1)–(
4).
On the other hand, in [
12], it is shown that when the data of Problem (
1)–(
4) has sufficient regularity, there exists a constant 
 such that for the spatial derivatives of the exact solution, 
, to (
1)–(
4), we have
      
      In our approach below, we assume that the solution, 
u, to (
1)–(
4) satisfies the derivative bounds (
7). In particular, we will use this assumption already in the space variable discretization described in the next section.
  3. Space Variable Discretization
We begin by developing a system of fractional differential equations from Problem  (
1)–(
4) by space variable discretization using the idea of the method of lines. Let 
, 
. We introduce a uniform mesh on the interval 
 defined by 
 gridpoints
      
      Using (
8) and a standard second-order difference formula
      
      we approximate (
1)–(
4) using a system of equations
      
      Here,
      
      are the unknown functions, and 
 and 
 are defined by
      
      Thus, we have for finding 
 a system of fractional differential equations in the form
      
      subject to the initial conditions
      
      where the function 
 is given by (
4), the functions 
 are defined by
      
      and the constants 
 are determined by
      
For simplicity of presentation, we rewrite (
11) and (
12) in vector form
      
      where 
 is unknown, its Caputo fractional derivative is defined componentwise by 
, and
      
Below, we will also need the Riemann–Liouville integral operator, 
, of order 
, defined by
      
      where 
I is the identity mapping and 
 is the Euler gamma function. Note that the operator 
 is linear, bounded, and compact as an operator from 
 to 
 (see, e.g., [
33]). Moreover, we have for any 
 that (see, e.g., [
34])
      
  4. Integral Equation Reformulation
Let 
 be an arbitrary continuous vector function, such that 
. Then, with the help of (
5) and (
17), we obtain
      
      where 
 is a constant vector and
      
      It follows from (
16) that 
 in the form of (
18) satisfies the initial condition (
15) if and only if
      
      Let now 
 be a solution to (
14) and (
15) such that 
 and 
. Then, due to (
18) and (
19), we can rewrite Problem (
14)–(
15) in the form
      
      where
      
Conversely, it is easy to see that if 
 is a solution to (
20), then 
 defined by (
18) with 
 is a solution to (
14) and (
15) and belongs to 
. In this sense, Equation (
20) is equivalent to Problem (
14)–(
15).
In order to describe the existence, uniqueness, and regularity properties of the solution to Problem (
14)–(
15), we introduce weighted spaces, 
 and 
, adaptions of a more general weighted space of functions introduced in [
35] (see also [
33]). For 
, we define the weight function
      
      and for given 
, 
, 
, 
, 
, by 
, we denote the Banach space of continuous functions, 
, which are 
q times continuously differentiable in 
, such that
      
      We see that if 
, then for all 
 and 
, the following estimation holds:
      where 
 is a positive constant.
Further, given 
, 
, 
 and 
, 
, notation 
 means that 
 for 
. The set 
 becomes a Banach space if it is equipped with the norm
      
      Note that
      
Following the proof of Lemma 2.2, in [
33], we can prove the following result.
Lemma 1. Let  and . Then operator , defined byis compact as an operator from  to , thus also from  to  and from  to . Furthermore,  is compact as an operator from  into , where .  Theorem 1. Let  and let , where , , . Let , . Then, the following statements are fulfilled.
 - (i) 
- Problem (14)–(15) possesses a unique solution, , such that it and its Caputo derivative, , belong to . 
- (ii) 
- Let , , , with , given by (13). Then , the solution to Problem (14)–(15) and its Caputo derivative, , belong to , where 
Proof.  (i) We observe that 
 since 
 and 
. Further, 
 is a compact operator from 
 to 
 since 
 is compact. Note that the homogeneous equation, 
, has in 
 only a trivial solution, 
. Therefore, using the Fredholm alternative, we obtain that the equation 
 possesses in 
 a unique solution 
. Thus, Problem (
14)–(
15) has a unique solution 
.
 (ii) Let 
, 
, 
. Then, clearly 
. Since 
, it follows from Lemma 1 that 
 is a compact operator from 
 to 
. Therefore, 
 is also a compact operator from 
 to 
. Since the homogeneous equation 
 has in 
 only a trivial solution, it follows from the Fredholm alternative that equation 
 has a unique solution 
. Thus, Problem (
14)–(
15) possesses a unique solution 
.    □
    5. Approximate Solutions for (14)–(15)
We construct an approximation 
 to 
, the exact solution to Problem (
14)–(
15), as follows. First, we find an approximation 
 for 
, the exact solution to (
20). Let 
. We introduce on the interval 
 a graded grid, 
, with the grid points
      
      where 
 is the so-called grading exponent. We see that for 
, the points (
24) are distributed uniformly, but for 
 they are more densely clustered near the left endpoint of the interval 
.
For a given integer 
, let 
 denote the set of polynomials of a degree not exceeding 
k. We introduce the space of piecewise polynomial functions
      
      where 
 is the restriction of function 
 to the subinterval 
. Observe that the elements of the space 
 may have jump discontinuities at the interior points 
 of 
.
Let 
. Let 
 be a fixed system of collocation parameters satisfying
      
      Using these collocation parameters, we introduce 
m collocation points in each subinterval 
 by the formula
      
      We find the approximation 
 for the exact solution 
 of equation 
 using collocation conditions
      
      where 
 is defined by (
25) and 
. If 
, then, by 
, we denote the right limit 
. If 
, then, by 
, we denote the left limit 
.
The collocation conditions (
26) with respect to 
 lead to a system of linear algebraic equations to find 
, 
, the exact form of which is determined by the choice of a basis in the space 
. We can use Lagrange fundamental polynomial representation
      
      where, for 
 and 
, we set 
 if 
 and
      
      Then, 
 and 
 for every 
, 
, 
. Thus, we obtain a system of linear algebraic equations with respect to the coefficients 
:
      for 
, 
, 
.
Having found 
 by the system (
28), we can determine 
 with the help of (
27). Thus, we obtain the approximation 
 to 
, the solution to Problem (
14)–(
15), as follows:
  6. Convergence Analysis
In this section, we study the convergence and convergence order of our method.
For given 
, we define the interpolation operator, 
, by
      
      for any continuous function 
. If 
, then, by 
, we denote the right limit 
. If 
, then 
 denotes the left limit 
. Using operator 
, the conditions (
26) for finding 
 with 
, 
, take the form
      
In order to prove Theorem 2 below, we need Lemmas 2–4. Lemmas 2 and 3 follow from the results of [
33,
35] and Lemma 4 follows from [
16].
Lemma 2. The operators, , , belong to the space  andwith a positive constant c, which is independent of N. Moreover, for every , we have  Lemma 3. Let  be a linear compact operator. Then,  Lemma 4. Let , , , , and . Let  () be the Riemann–Liouville integral operator of order α. Assume that the collocation points (25) with grid points (24) and parameters  satisfying  are used. Moreover, assume that  are such that a quadrature approximationwith appropriate weights  is exact for all polynomials F of degree m. Thenwhere c is a positive constant independent of N and  Theorem 2. Let the assumptions of Theorem 1 be fulfilled. Let , , and assume that the collocation points (25) with parameters  satisfying  and grid points (24) are used. Moreover, assume that parameters  are chosen so that quadrature approximation (31) with appropriate weights is exact for all polynomials F of degree m. Then, the following statements are fulfilled.  - (i) 
- Problem (14)–(15) possesses a unique solution, , such that . There exists an integer , such that for , Equation (30) possesses a unique solution , where  for , determining by (29) a unique approximation  to , the solution to (14) and (15), and 
- (ii) 
- If (0,b], with  given by (13), then Problem (14)–(15) has a unique solution , such that  and its Caputo derivative  belong to  and the following error estimate holds: - Here, κ is given by Formula (23), r is a grading exponent given in (24), and  is defined by (32). 
Proof.  (i) Existence and uniqueness are already proven in Theorem 1; thus, we only need to prove the convergence (
33). We note that 
 is a compact operator from 
 to 
 (see Lemma 1), thus also from 
 to 
. Using the same proof idea as in Theorem 1, we can show that equation 
 possesses a unique solution 
. In other words, operator 
 is invertible in 
 and its inverse is bounded: 
. From this and Lemma 3, we obtain that for all sufficiently large 
N, we can say that
        
        Therefore, operator 
 is invertible in 
 for sufficiently large 
N and
        
        where 
c is a constant independent of 
N. Thus, for 
, Equation (
30) has a unique solution, 
, where 
 for every 
. For 
 and 
, the solution to equation 
, we see that
        
        Therefore, by (
35),
        
        where 
c is a positive constant independent of 
N. It follows from (
18), (
29), (
36), and Lemma 1 that
        
        where 
 is a positive constant independent of 
N. Using Lemma 2, we see that convergence (
33) holds.
 (ii) It follows from Theorem 1 part 
(ii) (with 
) that Problem (
14)–(
15) has a unique solution, such that 
. From the proof of part 
(i), we know that there exists an integer 
, such that for 
, Equation (
30) has a unique solution 
, where for every 
, 
. Denote
        
        With the help of (
30), we see that 
, and therefore we obtain from (
37) the following equation with respect to 
:
        
        Since 
, it follows from (
38) for every 
 that
        
        We know from the proof of part (i) that 
 is invertible in 
 for sufficiently large 
N and 
 for all 
. Thus, there exists also the inverse of 
 in 
 for 
 and
        
        Using (
39), (
40), (
35), and Lemma 2, we obtain
        
        where 
c is a positive constant independent of 
N. From the definition of the operator 
 we see that
        
        and therefore,
        
        where 
 and 
 are some positive constants independent of 
N. Due to 
, we obtain
        
        This leads to the estimate
        
        where 
 is a constant that is independent of 
N and where 
 and 
 are defined with the help of (
29) and (
18), respectively. Using Lemma 4, we see that the error estimate (
34) holds.    □
  In Theorem 3 below, we present the error estimate of our numerical method for solving Problem (
1)–(
4). We assume that the data of Problem (
1)–(
4) satisfies the conditions laid out in Theorem 2.1 in [
12]. Under these assumptions, it follows from [
12] that Problem (
1)–(
4) has a unique solution 
u that satisfies (
1)–(
4) pointwise, and there exists a constant 
C, such that
      
Theorem 3. Let the solution u to (1)–(4) satisfy the estimates (41) and (42). Let the assumptions of Theorem 2 be fulfilled. Then, the following error estimate holds:Here,  (),  is defined by (32), , κ is given by formula (23), r is a grading exponent given in (25),  is given by (29), and c is a positive constant that is independent of n and N.  Proof.  It follows from (
9) and Theorem 2 that for 
, we have
        
        Note that 
 are fixed points defined by our numerical method, but 
t belongs to 
.    □