TOUGH4 User Manual
  • Quick Entry to Keywords for Data Input
  • 1️⃣INTRODUCTION
    • About TOUGH
    • TOUGH Development History
    • TOUGH4 Implementation
    • Scope and Methodology
  • 2️⃣WHAT IS NEW IN TOUGH4
  • 3️⃣CODE COMPILATION AND INSTALLATION
    • Setup for Compilation
    • Code Compilation
      • 1. Compilation of TOUGH4 using Visual Studio
      • 2. Compilation of TOUGH4 on Linux-like platform
    • Installation
    • Running the Executable for Simulations
  • 4️⃣GOVERNING EQUATIONS
    • Mass-Balance Equation
    • Accumulation Terms
    • Flux Terms
    • Sink and Source Terms
    • Virtual Node Well Treatment
    • Semi-Analytical Conductive Heat Exchange
    • Drift Model
    • Non-Darcy Flow
  • 5️⃣NUMERICAL METHOD
    • Space and Time Discretization
    • Interface Weighting Schemes
    • Initial and Boundary Conditions
      • Initial Conditions and Restarting
      • Neumann Boundary Conditions
      • Dirichlet Boundary Conditions
      • Atmospheric Boundary Conditions
      • Constant Temperature Boundary Conditions
    • Parallel computing schemes
    • Linear Solvers
    • Python Functions
      • Relative Permeability
      • Capillary Pressure
      • Initial Condition Calculation
      • Fetching Output Data
      • Fetching Thermophysical Property Data From NIST Webbook
      • Coupling With Third-Party Software
  • 6️⃣SOFTWARE ARCHITECTURE
    • Program Design
    • Data Structure
    • Linear Equation Setup
  • 7️⃣PROCESS MODELING
    • EOS1
    • EOS2
    • EOS3
    • EOS4
    • EOS6
    • EOS7
    • EOS9
    • ECO2
    • EWASG
    • TMVOC
    • Tracers/Decay Chain
    • Biodegradation Reaction
    • Wellbore Flow
    • Non-Darcy Flow
    • Enhanced Coal Bed Methane
  • 8️⃣PREPARATION OF MODEL INPUT
    • Input Formatting
    • Keywords and Input Data
      • TITLE
      • BIODG
      • CBMDA
      • CHEMP
      • COFT
      • CONNE
      • COUPL
      • DIFFU
      • ELEME
      • ENDCY
      • ENDFI
      • FLAC
      • FNIST
      • FOFT
      • FORCH
      • GASES
      • GENER
      • GOFT
      • HYSTE
      • INCON
      • INDOM
      • MESHM
      • MODDE
      • MOMOP
      • MULTI
      • OUTPU
      • PARAM
      • ROCKS
      • ROFT
      • RPCAP
      • SELEC
      • SOLVR
      • SPAVA
      • TIMBC
      • TIMES
      • TRACR
      • WELLB
    • Inputs for Initial Conditions
      • EOS1
      • EOS2
      • EOS3
      • EOS4
      • EOS6
      • EOS7
      • EOS9
      • ECO2
      • EWASG
      • TMVOC
    • Geometry Data
      • General Concepts
      • MESHMaker
      • Multiple-continuum processing
    • Inputs for MESHMaker
      • Generation of radially symmetric grids
        • RADII
        • EQUID
        • LOGAR
        • LAYER
      • Generation of rectilinear grids
      • MINC processing for fractured media
    • Adjustment of Computing Parameters at Run-time
  • 9️⃣OUTPUTS
  • 🔟VALIDATION AND APPLICATION EXAMPLES
    • EOS1
      • Problem 1 - Code Demonstration
      • Problem 2 - Heat Sweep in a Vertical Fracture (rvf)
      • Problem 3 - Five-spot Geothermal Production/Injection (rfp)
      • Problem 4 - Coupled Wellbore Flow (r1q)
      • Problem 5 - Five-Spot Geothermal Production/Injection under extremely high temperature
    • EOS2
      • Problem 1 -Five-spot Geothermal Production/Injection (rfp)
    • EOS3
      • Problem 1 - Code Demonstration (eos3p1)
      • Problem 2 - 1D TH Problem with Heating and Gas Source (by Guanlong Guo)
      • Problem 3 - Heat Pipe in Cylindrical Geometry (rhp)
      • Problem 4 - 3D Thermal Consolidation Test, Coupling with FLAC3D Simulator (by Guanlong Guo)
    • EOS4
      • Problem 1 - Code Demonstration (eos4p1)
      • Problem 2 - Heat Pipe in Cylindrical Geometry (rhp)
    • EOS6
      • Problem 1-Validation with EOS2
      • Problem 2-Noble Gas Transport
    • EOS7
      • Problem 1-Multiphase and Nonisothermal Processes in a System with Variable Salinity (rf1)
      • Problem 2-Thermal and Tracer Diffusion (EOS7R/rdif7)
      • Problem 3-Contamination of an Aquifer from VOC Vapors in the Vadose Zone (EOS7R/rdica)
      • Problem 4-Density, Viscosity, Solubility, and Enthalpy of Real Gas Mixtures (EOS7C/SAM7C1)
      • Problem 5-CO2 Injection into a Depleted Gas Reservoir (EOS7C2/SAM7C2)
      • Problem 6- CO2 Injection into a Saturated System (EOS7C/SAM7C3)
      • Problem 7-Density, Viscosity, and Enthalpy of Real Gas Mixtures (EOS7CA/SAM7CA1)
      • Problem 8-CO2 Injection into a Shallow Vadose Zone (EOS7CA/SAM7CA2)
      • Problem 9-Non-Isothermal Compressed Air Energy Storage in Reservoir (by Julien Mouli-Castillo)
    • EOS9
      • Page 1
    • ECO2
      • Problem 1-Demonstration of Initialization Options (ECO2N/rtab)
      • Problem 2-Radial Flow from a CO2 Injection Well (ECO2N/rcc3)
      • Problem 3-CO2 Discharge Along a Fault Zone (ECO2N/r1dv)
      • Problem 4-CO2 Injection into a 2-D Layered Brine Formation (ECO2N/rtp7)
      • Problem 5-Upflow of CO2 along a Deep Fault Zone (ECO2M/r1d)
      • Problem 6-Migration of a CO2 Plume in a Sloping Aquifer, Intersected by a Fault (ECO2M/rwaf)
      • Problem 7-GCS/GHE with a double-porosity reservoir (Case6_50kg_DP/ECO2NV2)
    • EWASG
      • Problem 1 - Brine Density Calculation (dnh)
      • Problem 2 - Production from a Geothermal Reservoir with Hypersaline Brine and CO2 (rhbc)
    • TMVOC
      • Problem 1-Initialization of Different Phase Conditions (r7c)
      • Problem 2-1-D Buckley-Leverett Flow (rblm)
      • Problem 3-Diffusion of components (rdif2)
      • Problem 4-Steam Displacement of a NAPL in a Laboratory Column (rtcem)
      • Problem 5-Steam Displacement of a Benzene-Toluene Mixture in a Laboratory Column (rbt)
      • Problem 6 -Air Displacement of a NAPL from a Laboratory Column (rad)
      • Problem 7-NAPL Spill in the Unsaturated Zone (r2dl)
    • T4.Well
      • Problem 1-Steady-state two-phase flow upward
      • Problem 2-Non-isothermal CO2 flow through a wellbore initially full of water
  • CONCLUSION REMARKS
  • REFERENCES
  • ACKNOWLEDGEMENT
  • Appendix
    • ☑️A: RELATIVE PERMEABILITY FUNCTIONS
      • IRP=1 Linear function
      • IRP=2 Power function
      • IRP=3 Corey's curves
      • IRP=4 Grant's curve
      • IRP=5 Perfectly mobile
      • IRP=6 Fatt and Klikoff function
      • IRP=7 van Genuchten-Mualem Model
      • IRP=8 Verma function
      • IRP=10 Modified Brooks-Corey Model
      • IRP=11 Modified van Genuchten Model
      • IRP=12 Regular hysteresis
      • IRP=13 Simple hysteresis
      • IRP=31 Three phase perfectly mobile
      • IRP=32 Modified Stone's first 3-phase method
      • IRP=33 Three-phase Parker's function
      • IRP=34 Alternative Stone 3-phase
      • IRP=35 Power-law function
      • IRP=36 Faust for two-phase Buckley-Leverett problem
      • IRP=37 Another alternative to Stone function
      • IRP=40 Table lookup
      • IRP=41 User-Defined relative permeability function
    • ☑️B: CAPILLARY PRESSURE FUNCTIONS
      • ICP=1 Linear function
      • ICP=2 Function of Pickens
      • ICP=3 TRUST capillary pressure
      • ICP=4 Milly’s function
      • ICP=6 Leverett’s function
      • ICP=7 van Genuchten function
      • ICP=8 No capillary pressure
      • ICP=10 Modified Brooks-Corey Model
      • ICP=11 Modified van Genuchten Model
      • ICP=12 Regular hysteresis
      • ICP=13 Simple hysteresis
      • ICP=31 Parker et al 3-phase function
      • ICP=32 Parker 3-phase function, alternative 1
      • ICP=33 Parker 3-phase function, alternative 2
      • ICP=34 Parker 3-phase function, alternative 3
      • ICP=40 Table lookup
      • ICP=41 User-Defined capillary pressure function
    • ☑️C: ADDITIONAL PROGRAM OPTIONS
    • ☑️D: DESCRIPTION OF FRACTURED FLOW
      • Multiple Continuum Approaches
      • Active Fracture Modle
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  1. VALIDATION AND APPLICATION EXAMPLES
  2. EOS3

Problem 4 - 3D Thermal Consolidation Test, Coupling with FLAC3D Simulator (by Guanlong Guo)

This example is contributed by Dr. Guanlong Guo, Energy Geosciences Division , LBNL , using TOUGH4 build No.: 2407301S

PreviousProblem 3 - Heat Pipe in Cylindrical Geometry (rhp)NextEOS4

Last updated 9 months ago

TOUGH4-FLAC3D is a two-way sequential coupling simulator, as detailed in Section 4. The coupling between the codes is achieved by iteratively writing/reading the binary files generated by each code during the simulation process. At the beginning of each time step, the porosity is updated based on the increments of volumetric strain, pore pressure and temperature in the previous time step. Then, the updated porosity is further corrected by the increment of the pressure and the temperature during the iteration process at the current time step. Mathematically, the porosity is updated as (Kim et al., 2012; Tounsi et al., 2023)

ϕi+1−ϕi=(Bi)2+(Bi−ϕi)(1−Bi)Kdri∑α=1,2[Sα(pαi+1−pαi)]+ϕiαT(Ti+1−Ti)−Δϕc\phi^{i+1}-\phi^i=\frac{{{(B}^i)}^2+\left(B^i-\phi^i\right)\left(1-B^i\right)}{K_{dr}^i}\sum_{\alpha=1,2}\left[S_\alpha\left(p_\alpha^{i+1}-p_\alpha^i\right)\right]+\phi^i\alpha_T\left(T^{i+1}-T^i\right)-\Delta\phi_c ϕi+1−ϕi=Kdri​(Bi)2+(Bi−ϕi)(1−Bi)​∑α=1,2​[Sα​(pαi+1​−pαi​)]+ϕiαT​(Ti+1−Ti)−Δϕc​ (10-6)

Δϕc=(Bi)2Kdri∑α=1,2[Sα(pαi−pαi−1)]+BiαT(Ti−Ti−1)−Bi(ϵvi−ϵvi−1)\Delta\phi_c=\frac{\left(B^i\right)^2}{K_{dr}^i}\sum_{\alpha=1,2}\left[S_\alpha\left(p_\alpha^i-p_\alpha^{i-1}\right)\right]+B^i\alpha_T\left(T^i-T^{i-1}\right)-B^i\left(\epsilon_v^i-\epsilon_v^{i-1}\right)Δϕc​=Kdri​(Bi)2​∑α=1,2​[Sα​(pαi​−pαi−1​)]+BiαT​(Ti−Ti−1)−Bi(ϵvi​−ϵvi−1​) (10-7)

where B is the Biot's coefficient, KdrK_{dr}Kdr​ is the drained bulk modulus, SαS_\alphaSα​ is the degree of saturation of phase α\alphaα , αT\alpha_TαT​ is the volumetric thermal expansion coefficient, T is the temperature and ϵv\epsilon_vϵv​ is the volumetric strain.

Once the coupled TH process reaches equilibrium, the equivalent pore pressure is calculated and then transferred to FLAC3D. The coupling discussed above is the direct coupling between the TH process and the mechanical process. In addition, some indirect couplings, such as changes in permeability and capillary pressure, have been implemented in the coupling code.

The thermal consolidation problem in this section assumes a point heat source buried in a saturated porous media. The analytical solution of the thermal consolidation problem is referenced in (Booker & Savvidou, 1985; Xu et al., 2020). Figure 10-6 presents the geometry and meshing strategy of the simulation domain. Due to the symmetric property, the domain below (50m × 50m× 50m) accounts for 1/8 of the entire domain. A heat source, 50 J/s, is applied to the element at the center of the whole domain, i.e. the element at the left-bottom corner of the domain in Figure 10-6. The initial isotropic stress is -0.1 MPa. The initial pore pressure is 0.1 MPa. The initial temperature is 25 °C. Roller boundaries are applied to the symmetric boundaries, while the other boundaries are subject to a compressive stress, -0.1 MPa. No flux boundary is applied to the symmetric boundaries and a constant pressure (0.1 MPa) is applied to the other boundaries.

The material properties for the 3D thermal consolidation are given in Table 10-1.

Table 10-1 Material properties for the 3D thermal consolidation test

Figure 10-7 compares the analytical solution with the simulations results at a monitoring point M (1.2m,1.2m,1.2m). The simulation results are in good agreement with the analytical solution for temperature, pore pressure, shear stress. Slight deviations are observed in the simulation results for normal stress and displacement, as seen in Figure 10-7 (c) and (d). This difference may be attributed to the transfer of different time-stepping strategies in the simulation for enhancing computational efficiency. Using small time steps throughout the whole simulation may help prevent these discrepancy issues. In general, the TOUGH4-FLAC coupling code can accurately simulate the coupled THM problems.

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Input files
Output files
Figure 10-6 X-Z cross-section of the 3D simulation domain
Figure 10-7 Comparison between simulated results with analytical solutions