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

TIMBC

TIMBC permits the users to specify time-dependent Dirichlet boundary conditions. All values in this data block are read in free format (be careful, this record does not compatible with TOUGH3 input). The inputs either is through a file named "timbc.dat" or through the data section following this keyword. If "timvsp.dat" exists in the working folder, data are directly read from the file and the inputs in the TIMBC section will be neglected.

Record TIMBC.1

NTPTAB, T3Comp

NTPTAB number of elements with time-dependent boundary conditions.

T3Comp This parameter is optional. If T3Comp="T3", the input format will be compatible with TOUGH3 input ( see TOUGH3 user manual for details), and the following input formatting will not be applied.

Record TIMBC.2

BEleName, NBCP, NBCPV

BEleBame name of boundary element

NBCP number of times.

NBCPV numbering of primary variable that is time dependent, e.g., 1 for pressure. It can be different for different EOS module and different phase state condition.

Record TIMBC.3

TIMBCV, PGBCEL

TIMBCV the time when primary variable NBCPV at boundary element BCELM is specified.

PGBCEL value of primary variable NBCPV at boundary element BCELM at time TIMBCV. A special case will be evoked if PGBCEL<0.0. Once PGBCEL<0.0, the current element will return to regular element with a volume of abs(PGBCEL), and will not be treated as first type boundary since time TIMBCV. It is also allowed this element changes back to first type boundary again if PGBCEL become larger than 0.0 at later time.

The default phase state condition will be the current condition of the element. User may specify a new phase condition through a special case for NBCPV =2, by PGBCEL=:

0-1.0: default phase condition.

10.0+sg: two-phase condition.

20.0+xg: single gas phase condition.

30.0+xg: single aqueous phase condition.

Repeat TIMBC.3 for NBCP times.

Repeat records TIMBC.2, TIMBC.3 for all NPTTAB elements.

Used in: All EOS modules

Example

TIMBC

2 // time-dependent first-type boundary at 2 elements

ELEM1, 3, 1 // 1st element name, change at 3 times, time-dependent: 1st PV

1000.0, 1.0e7 //time1, the value of 1st primary variable at time1

2000.0, 2.0e7 //time2, the value of 1st primary variable at time2

4000.0, 2.5e7 //time3, the value of 1st primary variable at time3

ELEM2, 2, 4 // 2nd element name, change at 2 times, time-dependent: 4th PV

2000.0, 40.0 // time1, the value of 4th primary variable at time1

4000.0, 45.0 // time2, the value of 4th primary variable at time2

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