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. PREPARATION OF MODEL INPUT
  2. Keywords and Input Data

ELEME

ELEME introduces element (grid block) information.

Record ELEME.1

Free format for 14 parameters.

ELNE, MA12, VOLX, AHTX, PMX, X, Y, Z,

(USERX(I), I=1,3), Activity

Or Format (A3, I2, 2I5, A5, 9E10.4, A3) (for 5 five-character element name only)

EL, NE, NSEQ, NADD, MA12, VOLX, AHTX, PMX, X, Y, Z,

(USERX(I), I=1,3), Activity

ELNE element name, can be 3-10 characters.

EL, NE five-character code name of an element. The first three characters are arbitrary, the last two characters must be numbers.

NSEQ number of additional elements having the same volume and belonging to the same reservoir domain (used for formatted input only).

NADD increment between the code numbers of two successive elements. (Note: the maximum permissible code number NE + NSEQ ×NADD is ≤ 99. Used for formatted input only).

MA12 a five-character material identifier corresponding to one of the reservoir domains as specified in block ROCKS. If the first three characters are blanks and the last two characters are numbers then they indicate the sequence number of the domain as entered in ROCKS. If MA12 is left blank the element is by default assigned to the first domain in block ROCKS.

VOLX element volume ( m3m^3m3).

AHTX interface area (m2m^2m2) for linear heat exchange with semi-infinite confining beds. Internal MESH generation via MESHMaker will automatically assign AHTX.

PMX block-by-block permeability modification coefficient, ζn\zeta _nζn​ (optional). The PMX may be used to specify spatially correlated heterogeneous fields. But users need to run their own geostatistical program to generate the fields they desire, and then use preprocessing programs to place the modification coefficients into the ELEME data block, as TOUGH4 provides no internal capabilities for generating such fields.

If a dummy domain ‘SEED’ is specified in data block ROCKS, it will be used as multiplicative factor for all the permeability parameters from block ROCKS (see Eq. 8-3), and strength of capillary pressure will be scaled according to Eq. 8-4. With a dummy domain ‘SEED’ in data block ROCKS, PMX = 0 will result in an impermeable block.

In TOUGH4, PMX can be active without a dummy domain ‘SEED’ in the ROCKS block. If a dummy domain ‘SEED’ is not specified in data block ROCKS, it can be used to specify grid block permeabilities or permeability modifiers. If a positive value less than 1e-4 is given, it is interpreted as absolute permeability; if a negative value is provided, it is interpreted as a permeability modifier, i.e., a factor with which the absolute permeability specified in block ROCKS is multiplied. Alternatively, the same information can be provided through USRX (columns 31–40) in block INCON.

If PMX is blank for the first element, the element-by-element permeabilities are ignored. If a dummy domain ‘SEED’ is not specified in data block ROCKS, strength of capillary pressure will not be automatically scaled. Leverett scaling of capillary pressure can be applied with MOP2(6) > 0 in data block MOMOP.

X, Y, Z Cartesian coordinates of grid block centers. These may be included in the ELEME data to make subsequent plotting of results more convenient. Note that coordinates are used in TOUGH4 only in: optional initialization of a gravity-capillary equilibrium with EOS9 (see the addendum for EOS9), optional addition of potential energy to enthalpy with MOP2(12) > 0 in data block MOMOP, and wellbore simulation.

USERX(I) (optional) anisotropic permeability or permeability modifier of the X-, Y-, and Z-direction for I = 1, 2, and 3, respectively. Based on the values, TOUGH4 will internally determine whether it is permeability itself or permeability modifier. Alternatively, the same information can be provided through USRX in block INCON. This input has become obsolete in TOUGH4, and it is retained for compatibility with TOUGH3. Users are encouraged to use the keyword SPAVA for input of the spatial variable parameters.

Activity (optional) element activity indicator. It can be “A”: active element, “I”: inactive element, “V”: time-dependent first-type boundary element, “T” constant temperature element. The default value is "A".

Repeat record ELEME.1 for the number of elements desired.

Record ELEME.2 A blank record closes the ELEME data block.

Used in: All EOS modules

Example:

ELEME // this is for input in the main input file

A1435, 0*2, 1, 0.619000E+12, 0.123800E+11, 0.0, 0.948000E+05, 0.0, -.500000E+02

In the free format MESH file, TOUGH4 does not allow including NSEQ, NADD in input line:

ELEME

A1435, 1, 0.619000E+12, 0.123800E+11, 0.0, 0.948000E+05, 0.0, -.500000E+02

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