Acta Polytechnica DOI:10.14311/AP.2020.60.0012 Acta Polytechnica 60(1):12–24, 2020 © Czech Technical University in Prague, 2020 available online at https://ojs.cvut.cz/ojs/index.php/ap HOMOGENIZATION OF TRANSPORT PROCESSES AND HYDRATION PHENOMENA IN FRESH CONCRETE Michal Beneša, Radek Štefanb,∗ a Czech Technical University in Prague, Faculty of Civil Engineering, Department of Mathematics, Thákurova 7, 166 29 Prague 6, Czech Republic b Czech Technical University in Prague, Faculty of Civil Engineering, Department of Concrete and Masonry Structures, Thákurova 7, 166 29 Prague 6, Czech Republic ∗ corresponding author: radek.stefan@fsv.cvut.cz Abstract. The problem of hydration and transport processes in fresh concrete is strongly coupled and non-linear, and therefore, very difficult for a numerical modelling. Physically accurate results can be obtained using fine-scale simulations, which are, however, extremely time consuming. Therefore, there is an interest in developing new physically accurate and computationally effective models. In this paper, a new fully coupled two-scale (meso-macro) homogenization framework for modelling of simultaneous heat transfer, moisture flows, and hydration phenomena in fresh concrete is proposed. A modified mesoscale model is first introduced. In this model, concrete is assumed as a composite material with two periodically distributed mesoscale components, cement paste and aggregates. A homogenized model is then derived by an upscaling method from the mesoscale model. The coefficients for the homogenized model are obtained from the solution of a periodic cell problem. For solving the periodic cell problem, two approaches are used – a standard finite element method and a simplified closed-form approximation taken from literature. The homogenization framework is then implemented in MATLAB environment and finally employed for illustrative numerical experiments, which verify that the homogenized model provides physically accurate results comparable with the results obtained by the mesoscale model. Moreover, it is verified that, using the homogenization framework with a closed-form approach to the periodic cell problem, significant computational cost savings can be achieved. Keywords: Concrete, hydration, transport processes, homogenization, numerical experiments. 1. Introduction Modelling of transport processes and hydration phe- nomena in early age concrete is a challenging engineer- ing problem, since hydration of cement is an exother- mic reaction, which may result in high temperatures and related deformations, stresses, and cracking in concrete structures, e.g. [1–7] and references therein. Fresh concrete is a heterogeneous porous material highly saturated with liquid water, e.g. [4]. In the present paper, concrete is assumed as a composite material with two periodically distributed mesoscale components, cement paste and aggregates, represented by multiphase hygroscopic and heat conducting rigid porous media partially saturated with liquid water, e.g. [4, 8]. Coupled transport processes in porous materials are associated with balance equations for mass of moisture and heat energy of the whole medium, e.g. [9]. For the mesoscopic description of transport processes in cement paste and aggregates, we use the balance equa- tions based on the averaging theory, see [4] and ref- erences therein, particularly [10–12], for more details. The governing equations at the mesoscale level are completed by an appropriate set of constitutive equa- tions, material data, and physically relevant boundary and initial conditions. It is well known and closely described in literature that the problem of hydration and transport processes in concrete is strongly coupled and non-linear, e.g. [4, 7] and references therein. This, together with the complexity of the mesoscopic structure of the concrete composite, makes the detailed numerical simulations of the problem extremely time consuming. Therefore, there is an interest in developing new physically accu- rate and computationally effective models based on a sophisticated numerical coupling at different scales, see e.g. [13–16], see also our previous work [17, 18]. The homogenization method is one of the most advanced techniques in upscaling the response of the microstructure of heterogeneous materials, e.g. [19– 28]. In this method, the solution of a fine scale problem is used to examine the local material behaviour at the macroscale. Combining the heat transfer together with mass flows through fresh concrete motivates us to construct a fully coupled multi-field and a two-scale (meso-macro) homogenization framework. 12 https://doi.org/10.14311/AP.2020.60.0012 https://ojs.cvut.cz/ojs/index.php/ap vol. 60 no. 1/2020 Homogenization of transport processes and hydration phenomena. . . 2. The mesoscale model In the mesoscale model, concrete is assumed as a composite material with two periodically distributed mesoscale components, cement paste and aggregates, represented by multiphase hygroscopic and heat con- ducting rigid porous media partially saturated with liquid water, e.g. [4, 8]. The detailed description of the assumptions adopted for developing the model is given in our previous work [17]. Let Ω be a polygonal domain with boundary ∂Ω. Consider a concrete composite consisting of two flow regions (aggregates and cement paste) periodically distributed in a domain Ω with period εY, where Y = (0, 1)2 is a periodicity cell split into two com- plementary parts Ya and Yc. Throughout the paper, subscripts a and c refer to aggregates and cement paste, respectively. By χa and χc, we denote the corresponding characteristic functions of Ya and Yc, respectively, extended Y–periodically to R2. From the geometrical point of view, ε is the characteristic length representing the small scale variability of the concrete composite. In this paper, we present the homogenization result for the problem (indexed by ε) ∂t [%w (χεcφc(ξ ε) + χεaφa)S(p ε)] −∇· [ %wkR(S(pε)) µ(ϑε) (χεckc(ξ ε) + χεaka)∇p ε ] = α1χεcf(p ε,ϑε,ξε), (1) ∂t [cw%w (χεcφc(ξ ε) + χεaφa)S(p ε)ϑε] + ∂t [(χεc%sccsc(1 −φc(ξ ε)) + χεa%sacsa(1 −φa)) ϑ ε] −∇· [(χεcλc(p ε,ϑε,ξε) + χεaλa(p ε,ϑε))∇ϑε] −∇· [ cw%wϑ εkR(S(p ε)) µ(ϑε) (χεckc(ξ ε) + χεaka)∇p ε ] = α2χεcf(p ε,ϑε,ξε), (2) coupled with an integral condition ξε(x,t) = ∫ t 0 f(pε(x,s),ϑε(x,s),ξε(x,s)) ds. (3) The unknowns in the model are the temperature ϑε, water pressure pε, and the memory function ξε, the so-called degree of hydration. From the physical point of view, equations (1) and (2), respectively, repre- sent the mass balance of moisture (liquid water) and the heat equation for the porous system, see e.g. [9]. Equation (3) represents an additional integral condi- tion. Such type of equations arises in the theory of heat conduction when inner heat sources are of special types, in particular, in so-called problems of hydration heat. In this case, the intensity of inner sources of heat also depends on the amount of heat already de- veloped, see [29]. In the mesoscale model, we assume different hydraulic and thermal characteristics in ag- gregate and cement paste, respectively. In particular, φ� (� ≈ a,c) is the porosity, and S represents the degree of saturation with liquid water. Further, k� is the intrinsic permeability, kR represents the relative hydraulic conductivity, λ� is the thermal conductivity function, and µ is the temperature dependent viscos- ity of the fluid. Material constants are as follows: %w is the density of liquid water and cw represents the isobaric heat capacity of water. Moreover, %s� and cs�, respectively, are the mass density and the isobaric heat capacity of the solid. Finally, f is the hydration degree rate and parameters α1 and α2 on the right hand sides of (1) and (2) express the final values of mass of hydrated water and the amount of released heat energy during hydration, respectively. To complete the model, it is further necessary to prescribe the initial and boundary conditions. The initial conditions specify the initial fields of the water pressure and temperature: pε(0) = p0, ϑε(0) = ϑ0 in Ω. (4) The so-called Newton (Robin type) boundary condi- tions are prescribed on the boundary ∂Ω where the water flux through the boundary of the domain is proportional to the difference between the pressure at the boundary and the outer pressure p∞. Similarly, the heat flux at the boundary of the system is propor- tional to the difference between the temperature at the boundary and the external temperature ϑ∞. 3. The homogenized problem The system (1)–(3) has been theoretically investigated in [17, 29]. Instead of solving (1)–(3) on a fine mesh resolving the small scale variability of ε, the basic idea of the upscaling methods is to replace the heteroge- neous medium by an “equivalent” homogeneous one. It has been shown in [17] that there is a sequence {εj}, limj→+∞εj = 0+, such that [pεj ,ϑεj ,ξεj ] converges in a suitable topology to the solution of the following upscaled equations. Water conservation equation: ∂t [%w (χ∗cφc(ξ) + χ ∗ aφa)S(p)] −∇· [A∗(p,ϑ,ξ)∇p] = α1χ∗cf(p,ϑ,ξ) (5) Energy conservation equation: ∂t [cw%w (χ∗cφc(ξ) + χ ∗ aφa)S(p)ϑ] ∂t [([χ∗c%sccsc(1 −φc(ξ)) + χ ∗ a%sacsa(1 −φa)]) ϑ] −∇· [Λ∗(p,ϑ,ξ)∇ϑ + cwϑA∗(p,ϑ,ξ)∇p] = α2χ∗cf(p,ϑ,ξ). (6) The system is coupled with the integral condition ξ(x,t) = ∫ t 0 f(p(x,s),ϑ(x,s),ξ(x,s))ds. (7) In (5) and (6), the homogenized coefficient functions are given by χ∗c = ∫ Y χc(y)dy, χ∗a = ∫ Y χa(y)dy, 13 Michal Beneš, Radek Štefan Acta Polytechnica Λ∗ij(ω,η,ζ) = ∫ Y (χc(y)λc(ω,η,ζ) + χa(y)λa(ω,η))︸ ︷︷ ︸ λ(y,ω,η,ζ) × × ( δij + δik ∂vj ∂yk ) dy (8) and A∗ij(ω,η,ζ) = ∫ Y %wkR(S(ω)) µ(η) [χc(y)kc(ζ) + χa(y)ka]︸ ︷︷ ︸ a(y,ω,η,ζ) × × ( δij + δik ∂wj ∂yk ) dy, (9) where wi and vi ∈ W 1,2per(Y), i = 1, 2, are periodic solu- tions (in a weak sense) of the following cell problems, respectively, −∇y · (a(y,ω,η,ζ)(ei + ∇ywi)) = 0 in Y (10) and −∇y · (λ(y,ω,η,ζ)(ei + ∇yvi)) = 0 in Y. (11) Here, a summation convention is used, i.e. summation is performed over repeated indices. Further, δij (or δik) denotes the Kronecker delta and {e1,e2} is the canonical basis of R2. Note that the problems (10) and (11), respectively, define wi and vi, i = 1, 2, up to an additive constants. Usually, we choose wi and vi such that∫ Y wi dy = 0 and ∫ Y vi dy = 0. (12) It is easily seen that the homogenized coefficients (8) and (9) do not depend on the choice of the additive constant. 4. Numerical solution 4.1. Macroscopic FE formulation Let 0 = t0 < t1 < · · · < tN = T be an equidistant partitioning of time interval [0,T] with the discrete time step ∆t, {tn} N n=0, ∆t = T/N. For any function ζ, we will use the approximation ζn ≈ ζ(tn) and de- note the backward time difference as δ∆t [ζn+1], where δ∆t [ζn+1] := ζn+1−ζn ∆t ≈ dζ(tn+1) dt . By Th, we denote an admissible quadrilateral partition of Ω with a mesh size h with standard properties from the finite element theory (see e.g. [30]). Let Wh be the standard con- forming linear finite element space over Th. Let ph0 = p0, ϑh0 = ϑ0, and ξh0 = 0 in Ω. For n = 0, . . . ,N − 1, we seek [phn+1,ϑhn+1,ξhn+1] ∈ Wh × Wh × C(Ω) the approximate solution of [p,ϑ,ξ] at time tn, such that %wχ ∗ c ∫ Ω δ∆t [ φc(ξhn+1)S(p h n+1) ] ϕh dx + %wχ∗aφa ∫ Ω δ∆t [ S(phn+1) ] ϕh dx + ∫ Ω A∗(phn,ϑ h n,ξ h n)∇p h n+1 ·∇ϕ h dx + ∫ ∂Ω βc(x)phn+1ϕ h dS = α1χ∗c ∫ Ω f(phn,ϑ h n,ξ h n)ϕ h dx + ∫ ∂Ω βc(x)(p∞)n+1ϕhdS (13) holds for all ϕh ∈ Wh, further cw%wχ ∗ c ∫ Ω δ∆t [ φc(ξhn+1)S(p h n+1)ϑ h n+1 ] ψh dx + cw%wχ∗aφa ∫ Ω δ∆t [ S(phn+1)ϑ h n+1 ] ψh dx + ∫ Ω δ∆t [ χ∗c%sccsc(1 −φc(ξ h n+1))ϑ h n+1 ] ψh dx + ∫ Ω δ∆t [ χ∗a%sacsa(1 −φa)ϑ h n+1 ] ψh dx + ∫ Ω Λ∗(phn,ϑ h n,ξ h n)∇ϑ h n+1 ·∇ψ h dx + ∫ Ω cwϑ h nA ∗(phn,ϑ h n,ξ h n)∇ϑ h n+1 ·∇ψ h dx + ∫ ∂Ω αc(x)ϑhn+1ψ h dS + cw ∫ ∂Ω βc(x)ϑhnp h n+1ψ h dS = α2χ∗c ∫ Ω f(phn,ϑ h n,ξ h n)ψ h dx + ∫ ∂Ω αc(x)(ϑ∞)n+1ψh dS + cw ∫ ∂Ω βc(x)ϑhn(p∞)n+1ψ hdS (14) holds for all ψh ∈ Wh and ξhn+1 = ξ h n + ∆tf(p h n,ϑ h n,ξ h n). (15) The unknown vector field xn+1 =( pn+1,ϑn+1,ξn+1 )T is introduced, and the Galerkin procedure is applied. This leads to a system of non-linear algebraic equations b(xn+1) −b(xn) + ∆tKnxn+1 + ∆tfn+1(xn+1) = 0, (16) where pn+1, ϑn+1, and ξn+1 store the unknown nodal values of water pressure, temperature, and hydration degree at a time tn+1, respectively. The non-linear system (16) is solved iteratively using the Newton’s method. 14 vol. 60 no. 1/2020 Homogenization of transport processes and hydration phenomena. . . 4.2. Periodic cell problem The problems (10) and (11) need to be solved in each discrete time step. For fixed ω, η, and ζ ∈ R, both problems, (10) and (11), can be written in a general form as a periodic cell problem (i = 1, 2) −∇y · (A(y)(ei + ∇yui)) = 0 in Y, (17) where A is a given step function, A(y) := { Ac ∈ R+ for y ∈Yc, Aa ∈ R+ for y ∈Ya, (18) and ui is the unknown function satisfying the periodic boundary conditions on ∂Y. 4.2.1. The classical FE method The variational formulation of (17) reads as follows: we seek ui ∈ W 1,2per(Y) such that (i = 1, 2)∫ Y A(y)∇ui ·∇ϕ dy = − ∫ Y A(y)ei ·∇ϕ dy (19) for all ϕ ∈ W 1,2per(Y). A finite element approxima- tion is obtained by restricting the weak formulation (19) to a finite dimensional subspace W 1,2per,h(Y) of W 1,2per(Y). Then, we seek the approximate solution uhi ∈ W 1,2 per,h(Y) satisfying the equation∫ Y A(y)∇uhi ·∇ϕ h dy = − ∫ Y A(y)ei ·∇ϕh dy (20) for all ϕh ∈ W 1,2per,h(Y). 4.2.2. Computation of the homogenized coefficients by an analytical approximation It is worth pointing out that the cell problems (10) and (11) need to be solved at each integration point and in each discrete time step n = 0, 1, . . . ,N of the problem (13)–(15). This means that a very large number of cell problems need to be solved in order to compute homogenized coefficients A∗ and Λ∗ in the whole macroscopic domain Ω. In [20], the authors proposed an analytical approx- imation of the solution to the periodic cell problem (17) with a step function A defined by (18). It can be easily shown that the functions ũ1(y) = ∫ y1 0 ds A(s,y2) (∫ 1 0 ds A(s,y2) )−1 −y1 (21) and ũ2(y) = ∫ y2 0 ds A(y1,s) (∫ 1 0 ds A(y1,s) )−1 −y2 (22) satisfy the equation (17) almost everywhere in Y, see [20, Theorem 2.1]. The proposed solution can be seen as an approximation to the solution of (19) in L2(Y). The computational cost savings are evident because of the closed-form approximation of the solution to the periodic cell problem. It is worth noting that, for the aggregate of a rectan- gular shape symmetrically placed within the periodic cell, which is the case considered in the following numerical experiments, the aforementioned approxi- mation leads to simple formulae for the homogenized coefficients, see also [20–23]. For Λ∗ (and for A∗ analogously), we can write Λ∗11(pk,ϑk,ξk) = 2d2λc(pk,ϑk,ξk) + 1 − 2d2 2d1 λc(pk,ϑk,ξk) + 1 − 2d1 λa(pk,ϑk) , (23) Λ∗22(pk,ϑk,ξk) = 2d1λc(pk,ϑk,ξk) + 1 − 2d1 2d2 λc(pk,ϑk,ξk) + 1 − 2d2 λa(pk,ϑk) , (24) and Λ∗12 = Λ ∗ 21 = 0, (25) where pk, ϑk, and ξk, respectively, are the water pres- sure, temperature, and hydration degree at the k-th integration point of the macroscopic (homogenized) model, and d1 and d2 are the geometrical parameters of the periodic cell, see Figure 1. Figure 1. Cell geometry. The solution of the cell problem in Y is crucial for obtaining the homogenized coefficients in the global domain Ω. Therefore, a comparison of solutions of the homogenized problem (13)–(15), with homogenized coefficients obtained by using the analytical formulae (23)–(25) and the one computed numerically according to (20), is one of the major goals of the present work, see the next section. 5. Numerical experiments The mesoscale model and the homogenization frame- work have both been implemented in a MATLAB [31] code, which is employed for the following numerical experiments. For the spatial discretization, the finite element method is utilized by using four-node bilinear elements with 3×3 integration points. The temporal discretization is performed by a semi-implicit differ- ence scheme, see Section 4. 15 Michal Beneš, Radek Štefan Acta Polytechnica The aim of the illustrative examples is to demon- strate some of the properties of the mesoscale model and the homogenization framework by analysing the effects of changing (i) the characteristic length ε, (ii) the aggregate shape, (iii) the FE mesh size, and (iv) the approach to solving the local problem. For the numerical experiments presented in this paper, the cell geometry shown in Figure 1 is assumed. The rectangular aggregate shape was chosen for the reason that it can be easily analysed by the analytical approach and it can be simply discretized by four- node bilinear finite elements. Similar examples have also been investigated by other researches focusing on the homogenization problem, e.g. [19–23]. For real-world problems, the cell geometry can be modified in order to represent the material more accu- rately. Concrete is a cementitious composite formed by the aggregates of different shapes and sizes. This could be implemented in the present models by the ap- propriate setting of the periodic cell geometry. Within the cell, multiple domains representing the aggregates can be modelled, each of them of a different shape and size, and the local problem can be solved by the finite element method. Due to the limited scope of the paper, such problem is not presented and will be analysed in our future work. All the material parameters and properties of con- crete components adopted for the calculations as well as the parameters of initial and boundary conditions are summarized in Section 7. 5.1. Convergence analysis – layered structure The first example is focused on an analysis of hy- dration and transport processes in a structure (wall) formed by parallel layers of a fresh cement paste and aggregates. The objective of this hypothetical ex- ample is to show the convergence of the mesoscale solution towards the homogenized problem solution, as described for similar problems, e.g., in [19–23]. This type of example has been chosen as in this case (a layered structure), the homogenized coefficients can be obtained by an exact solution, see [23, p. 2262], cf. e.g. [26]. The geometrical parameters of the analysed problem are depicted in Figure 2. The calculations are performed on the mesoscale level for three different values of ε: 0.1, 0.05, 0.01. In all the cases, we use the same finite element mesh of 500 elements in total with ∆x = 1 mm, see Figure 2. The homogenized problem is solved twice. Once with the same mesh as for the mesoscale level (∆x = 1 mm), once with a coarse mesh with ∆x = 25 mm. The time step is set to ∆t = 30 s in all cases. The obtained distributions of water pressure across the analysed structure are displayed in Figure 3. The temperature profiles are depicted in Figure 4. The dis- tributions of hydration degree are shown in Figure 5. Figure 2. Scheme of the analysed problem, finite element (FE) mesh, and boundary conditions (BC). For the detailed convergence analysis, we focus on the resulting distributions of temperature and water pressure. In Tables 1 and 2, the differences between the temperatures and water pressures determined by the mesoscale (ϑε, pε) and homogenized (ϑ, p) models for selected times are illustrated by the respective L2 error norms, see [19–23]. ε ‖ϑε −ϑ‖2 (K m) t = 8 h t = 16 h t = 24 h 0.1 8.9 × 10−3 5.8 × 10−3 2.4 × 10−3 0.05 2.2 × 10−3 1.5 × 10−3 7.6 × 10−4 0.01 8.3 × 10−5 7.9 × 10−5 1.0 × 10−4 Table 1. Error norms for the temperature determined by the mesoscale and homogenized models for selected times. ε ‖pε −p‖2 (Pa m) t = 8 h t = 16 h t = 24 h 0.1 2560.0 1520.0 819.8 0.05 734.9 358.4 197.9 0.01 29.9 14.5 9.3 Table 2. Error norms for the water pressure deter- mined by the mesoscale and homogenized models for selected times. From Figures 4–3 and Tables 1 and 2, it is clear that with the decreasing value of ε, the mesoscale solution converges towards the homogenized problem solution. Moreover, it can be seen that for the homogenized problem, a coarse finite element mesh provides almost the same results as a fine mesh. 5.2. Illustrative example – concrete column cross-section In the second example, the hydration and transport processes in a concrete column of a square cross- section are simulated. The objective of the example is to illustrate the usage of the numerical procedures 16 vol. 60 no. 1/2020 Homogenization of transport processes and hydration phenomena. . . 0 100 200 300 400 500 x1 (mm) -2.7 -2.6 -2.5 -2.4 -2.3 W a te r p re ss u re (P a ) #106 t = 8 h p", " = 0:1 p", " = 0:05 p", " = 0:01 p, -ne mesh p, coarse mesh 0 100 200 300 400 500 x1 (mm) -3.85 -3.8 -3.75 -3.7 -3.65 -3.6 -3.55 -3.5 W a te r p re ss u re (P a ) #106 t = 16 h p", " = 0:1 p", " = 0:05 p", " = 0:01 p, -ne mesh p, coarse mesh 0 100 200 300 400 500 x1 (mm) -4.35 -4.3 -4.25 -4.2 -4.15 -4.1 W a te r p re ss u re (P a ) #106 t = 24 h p", " = 0:1 p", " = 0:05 p", " = 0:01 p, -ne mesh p, coarse mesh Figure 3. Distribution of water pressure across the analysed structure. for the determination of the homogenized material parameters, as described in Section 4.2. The scheme of the analysed problem is depicted in Figure 6. As can be seen from Figure 6, we assume two vari- ants of the aggregate shape: square (denoted as Vari- ant S) and rectangle (denoted as Variant R). On the mesoscale level, the simulations are per- formed for ε = 0.025, i.e. with 8 × 8 cells for the analysed section. In both cases (Variants S and R), 0 100 200 300 400 500 x1 (mm) 29 29.5 30 30.5 31 31.5 32 T e m p e ra tu re (/ C ) t = 8 h #", " = 0:1 #", " = 0:05 #", " = 0:01 #, -ne mesh #, coarse mesh 0 100 200 300 400 500 x1 (mm) 42 44 46 48 50 52 T e m p e ra tu re (/ C ) t = 16 h #", " = 0:1 #", " = 0:05 #", " = 0:01 #, -ne mesh #, coarse mesh 0 100 200 300 400 500 x1 (mm) 46 48 50 52 54 56 58 60 T e m p e ra tu re (/ C ) t = 24 h #", " = 0:1 #", " = 0:05 #", " = 0:01 #, -ne mesh #, coarse mesh Figure 4. Distribution of temperature across the analysed structure. we use the same finite element mesh of square ele- ments of the size of 2.5 mm (6400 elements in total), see Figure 7. For the homogenized model, a finite element mesh of 10 × 10 square elements is used on the macroscale level (element size of 20 mm). The homogenized ma- terial parameters are determined using two different approaches (see Section 4.2): (i) using the finite ele- ment solution of the periodic cell problem with the 17 Michal Beneš, Radek Štefan Acta Polytechnica 0 100 200 300 400 500 x1 (mm) 0 0.05 0.1 0.15 0.2 H y d ra ti o n d e g re e (- ) t = 8 h 9", " = 0:1 9, -ne mesh 9, coarse mesh 0 100 200 300 400 500 x1 (mm) 0 0.05 0.1 0.15 0.2 H y d ra ti o n d e g re e (- ) t = 8 h 9", " = 0:05 9, -ne mesh 9, coarse mesh 0 100 200 300 400 500 x1 (mm) 0 0.05 0.1 0.15 0.2 H y d ra ti o n d e g re e (- ) t = 8 h 9", " = 0:01 9, -ne mesh 9, coarse mesh Figure 5. Distribution of hydration degree across the analysed structure. mesh of 10×10 square elements for one quarter of the cell (element size of 50 mm; due to symmetry, only one quarter of the cell is modelled), and (ii) using the simplified approach proposed by Sviercoski et al. [20]. In the following figures, the results obtained by the homogenized model using these two approaches are indexed as (FE) and (Approx.), respectively. The time step is set to ∆t = 60 s in all the cases. Figure 6. Scheme of the analysed problem, cell ge- ometries, boundary conditions (BC). Figure 7. Finite element mesh used for the mesoscale simulations: Variant S (left), Variant R (right). The obtained profiles of water pressure, tempera- ture, and hydration degree along the diagonal of the analysed section (xD, see Figure 6, see also e.g. [19]) are displayed in Figure 8. A more detailed comparison of the temperature dis- tribution is presented using the isolines maps (contour plots) in Figure 9, cf. e.g. [21–23]. For illustration, selected results (hydration degree and saturation) are shown using the filled contour maps in Figures 10 and 11, cf. e.g. [23]. As can be seen, the presented homogenized model provides a sufficiently accurate approximation to the mesoscale problem of hydration and transport pro- cesses in early age concrete. This holds true mainly for the temperature, which is, from the engineering point of view, the most important variable. The analysed example also indicates that, in com- parison with the classical FE-approach, the approx- imate solution of the periodic cell problem (deter- mination of the homogenized material coefficients) proposed by Sviercoski et al. [20] gives almost the same results while achieving significant computational cost savings. 18 vol. 60 no. 1/2020 Homogenization of transport processes and hydration phenomena. . . The computational cost savings are evident because of the closed-form approximation of the solution to the periodic cell problem, which needs to solved at each integration point (at the macroscale) and in each discrete time step. By the analytical solution, the homogenized coefficients are obtained directly by a closed-form formulae – see formulae (23)–(25), while for the finite element approach, the local problem needs to be solved numerically. 6. Conclusions In the paper, we have proposed a fully coupled two- scale (meso-macro) homogenization framework (theo- retically investigated in [17, 29]) for the modelling of simultaneous heat transfer, moisture flows and hydra- tion phenomena in fresh concrete. A modified mesoscale model has been introduced by assuming concrete as a composite material with two periodically distributed mesoscale components, cement paste and aggregates, partially saturated with liquid water and gas. For the mesoscale problem, an upscaling method has been utilized in order to obtain the homogenized model. The homogenized coefficients have been de- termined based on the solution of the periodic cell problem. Two different approaches have been adopted for solving the periodic cell problem: (i) the classical finite element method, (ii) a simplified approach based on an analytical approximation proposed by Sviercoski et al. [20]. The resulting algorithm, based on the finite element discretization in space and a semi-implicit finite dif- ference discretization in time, has been implemented in MATLAB environment and employed for several numerical experiments. The results of the presented examples have con- firmed the following. • With a decreasing value of the characteristic length ε, representing the small scale variability of the con- crete composite, the mesoscale solution converges towards the homogenized problem solution. • For the homogenized problem, a coarse finite ele- ment mesh provides almost the same results as the fine mesh. • The presented homogenized model provides a suf- ficiently accurate approximation to the mesoscale problem of hydration and transport processes in early age concrete. • For the homogenized model, the approximate so- lution of the periodic cell problem (determination of the homogenized material coefficients) proposed by Sviercoski et al. [20] gives almost the same re- sults as the classical FE approach while achieving significant computational cost savings. In our future work, we will focus on: • numerical experiments investigating the effect of the cell geometry (aggregates of different shapes and sizes); • utilization of the homogenization approach for the analysis of transport processes in concrete exposed to high temperatures. 7. Appendix – Model parameters Based on a literature review, the model parameters employed for the numerical experiments presented in this paper have been adopted as follows (see also our previous work [18]). The values of density and heat capacity of con- crete components are taken as: %w = 1000 kg m−3, %sa = 2830 kg m−3, %sc = 3220 kg m−3, cw = 4180 J kg−1 K−1, csa = 840 J kg−1 K−1, csc = 750 J kg−1 K−1 [16, Table 1], [32, Example 13.1]. The porosity of cement paste, φc(ξ), is determined by [4, (29)], with φc,∞ = 0.2, and Aφ = 0.35 [4, Fig. 1]. The porosity of aggregate, φa, is set to a constant value φa = 0.05, see e.g. [33]. The intrinsic permeability of cement paste, kc(ξ), is given by [4, (32)], with kc,∞ = 10−18 m2 [4, Table I], [32, p. 308] and Ak = 8 [4, p. 312]. The intrinsic permeability of aggregate, ka, is set to a constant value ka = 10−20 m2, see e.g. [33]. The thermal conductivity of cement paste and ag- gregate, λc(p,ξ) and λa(p), respectively, is determined by [4, (37)] with the constant thermal conductivity of a dry material, namely λc,dry = 1.0 W m−1 K−1 and λa,dry = 2.4 W m−1 K−1 [16, p. 136, Table 1]. The degree of the saturation with liquid water, S, is taken from [34, (20)] with the material parameters specified in [34, Table 5] for ordinary concrete (a = 18.6237 MPa, b = 2.2748). Here, we follow a simplified assumption that the capillary pressure, pc, and the liquid water pressure, p, are in the relation pc = patm −p with patm being the atmospheric pressure [4, pp. 305–306], [13, Chapter 4.2.2]. The relative hydraulic conductivity, kR(S), and the dynamic viscosity, µ(ϑ), respectively, are adopted from [34, (21)], [35, (38)], and [35, (AI.8)]. The hydration degree rate f is determined as (e.g. [4, (23)], [16, (7)], [32, (13.31)–(13.35)]) f = A(ξ)βϑ(ϑ)βRH(RH(p,ϑ)), (26) where the formulae and most of the material pa- rameters for A(ξ), βϑ(ϑ), and βRH(RH(p,ϑ), are adopted from [16, 32] with: B1 = 23.4/(24×3600) s−1, B2 = 7×10−4, η = 6.7, Qe/R = 4600 K, and αe = 7.5. The notation is taken from [32]. The relative humid- ity, RH, is calculated from [4, (12)], by assuming pc = patm − p (see above). The ultimate hydration degree, ξ∞, is set to ξ∞ = 0.8 (see [2, (13)], [16, (9),(10)]). The constants α1 and α2 in the source terms in equations (1),(2), or (5),(6), respectively, are assumed 19 Michal Beneš, Radek Štefan Acta Polytechnica 0 50 100 150 200 xD (mm) -2.82 -2.815 -2.81 -2.805 -2.8 -2.795 -2.79 -2.785 W a te r p re ss u re (P a ) #106 t =8 h, Variant S # p 2 p" p(FE) p(Approx:) 0 50 100 150 200 xD (mm) -3.07 -3.065 -3.06 -3.055 -3.05 -3.045 -3.04 W a te r p re ss u re (P a ) #106 t =8 h, Variant R # p 2 p" p(FE) p(Approx:) 0 50 100 150 200 xD (mm) 36 37 38 39 40 41 42 T e m p e ra tu re (/ C ) t = 8 h, Variant S # p 2 #" #(FE) #(Approx:) 0 50 100 150 200 xD (mm) 50 52 54 56 58 60 62 64 T e m p e ra tu re (/ C ) t = 8 h, Variant R # p 2 #" #(FE) #(Approx:) 0 50 100 150 200 xD (mm) 0 0.05 0.1 0.15 0.2 0.25 H y d ra ti o n d e g re e (- ) t = 8 h, Variant S # p 2 9" 9(FE) 9(Approx:) 0 50 100 150 200 xD (mm) 0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 H y d ra ti o n d e g re e (- ) t = 8 h, Variant R # p 2 9" 9(FE) 9(Approx:) Figure 8. Water pressure, temperature, and hydration degree profiles along the diagonal of the analysed section. as ([4, 16, 32], see also [29] and references therein) α1 = −Qw,potmc, (27) α2 = Qh,potmc, (28) with Qw,pot = 0.25, Qh,pot = 510 × 103 Jkg−1, and mc = (1 −φc(0))%sc. The initial conditions are set to p0 = −2.155 × 106 Pa (S0 = 0.99) and ϑ0 = 293.15 K. The parameters of the boundary conditions are taken as: βc = 10−30 s m−1, p∞ = −6.9 × 107 Pa (RH∞ = 0.6), αc = 4 W m−2 K−1, and ϑ∞ = 293.15 K, for the boundaries denoted as BC1 in Sec- tion 5. The boundaries denoted as BC2 in Section 5 are assumed to be perfectly insulated, i.e. βc = 0 and αc = 0. List of symbols cw Isobaric heat capacity of water [J kg−1 K−1] csa Isobaric heat capacity of aggregates [J kg−1 K−1] csc Isobaric heat capacity of cement paste [J kg−1 K−1] 20 vol. 60 no. 1/2020 Homogenization of transport processes and hydration phenomena. . . Temperature (/C), t = 8 h, Variant S 38 38.5 38.5 3 9 39 39 3 9 .5 3 9 .5 39.5 39.5 4 0 40 40 40 4 0 .5 40.5 40.5 41 4 1 41 41.5 41.5 0 50 100 150 200 x1 (mm) 0 50 100 150 200 x 2 (m m ) #" #(FE) #(Approx:) Temperature (/C), t = 8 h, Variant R 5354 55 55 5 6 56 56 5 7 5 7 57 57 5 8 58 58 58 59 59 59 60 6 0 60 6 1 61 62 62 0 50 100 150 200 x1 (mm) 0 50 100 150 200 x 2 (m m ) #" #(FE) #(Approx:) Temperature (/C), t = 24 h, Variant S 5456 5 8 58 58 6 0 60 60 60 6 2 62 62 64 64 66 0 50 100 150 200 x1 (mm) 0 50 100 150 200 x 2 (m m ) #" #(FE) #(Approx:) Temperature (/C), t = 24 h, Variant R 75 80 80 8 5 85 85 85 9 0 90 90 95 0 50 100 150 200 x1 (mm) 0 50 100 150 200 x 2 (m m ) #" #(FE) #(Approx:) Figure 9. Distribution of temperature in the analysed cross-section. ka Intrinsic permeability of aggregates [m2] kc Intrinsic permeability of cement paste [m2] kc,∞ Intrinsic permeability of the matured concrete [m2] kR Relative permeability of liquid phase [–] mc Mass of cement [kg m−3] p Liquid pressure [Pa] p0 Initial value of liquid pressure [Pa] p∞ External liquid pressure [Pa] patm Atmospheric pressure [Pa] pc Capillary pressure [Pa] Qh,pot Potential hydration heat [J kg−1] Qw,pot Chemically bound water [kg kg−1] RH Relative humidity [–] RH∞ External relative humidity [–] S Degree of saturation with liquid water [–] S0 Initial degree of saturation with liquid water [–] Greek symbols αc Convective heat transfer coefficient [W m−2 K−1] βc Convective mass transfer coefficient [m s−1] δij Kronecker delta [–] ε Scale parameter (characteristic length) [–] ϑ Temperature [K] ϑ0 Initial value of temperature [K] ϑ∞ External temperature [K] λc Thermal conductivity of cement paste [W m−1 K−1] λc,dry Thermal conductivity of dry cement paste [W m−1 K−1] λa Thermal conductivity of aggregates [W m−1 K−1] λa,dry Thermal conductivity of dry aggregates [W m−1 K−1] µ Water viscosity [Pa s] ξ Degree of hydration [–] ξ∞ Final degree of hydration [–] 21 Michal Beneš, Radek Štefan Acta Polytechnica Figure 10. Distribution of hydration degree in the analysed cross-section. %w Liquid density [kg m−3] %sa Density of aggregates [kg m−3] %sc Density of cement paste [kg m−3] φc Porosity of cement paste [–] φc,∞ Porosity at final stage of hydration [–] Figure 11. Distribution of saturation degree in the analysed cross-section. φa Porosity of aggregates [–] χa Characteristic function of aggregates [–] χc Characteristic function of cement paste [–] 22 vol. 60 no. 1/2020 Homogenization of transport processes and hydration phenomena. . . Acknowledgements The first author has been financially supported by the European Regional Development Fund (project No. CZ.02.1.01/0.0/0.0/16−019/0000778) within activities of the Center of Advanced Applied Sciences (CAAS). The second author has been supported by the Czech Sci- ence Foundation, project no. GA17-23067S. The support is gratefully acknowledged. References [1] F. J. Ulm, O. Coussy. Modeling of thermochemomechanical couplings of concrete at early ages. 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Numer Heat Tr A-Appl 49(8):733–763, 2006. doi:10.1080/10407780500503854. 24 http://dx.doi.org/10.1002/nme.3014 http://dx.doi.org/10.1016/j.commatsci.2011.10.017 http://dx.doi.org/10.1002/zamm.201700158 http://dx.doi.org/10.1007/978-94-024-1138-6 http://dx.doi.org/10.1016/j.conbuildmat.2008.04.009 http://dx.doi.org/10.1016/S0008-8846(99)00102-7 http://dx.doi.org/10.1080/10407780500503854 Acta Polytechnica 60(1):12–24, 2020 1 Introduction 2 The mesoscale model 3 The homogenized problem 4 Numerical solution 4.1 Macroscopic FE formulation 4.2 Periodic cell problem 4.2.1 The classical FE method 4.2.2 Computation of the homogenized coefficients by an analytical approximation 5 Numerical experiments 5.1 Convergence analysis – layered structure 5.2 Illustrative example – concrete column cross-section 6 Conclusions 7 Appendix – Model parameters List of symbols Acknowledgements References