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NESC1098 TOUGH2, TOUGH

TOUGH, Unsaturated Groundwater Transport and Heat Transport Simulation

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1. NAME OR DESIGNATION OF PROGRAM

TOUGH2, TOUGH. Last updated versions are available at http://esd.lbl.gov/TOUGH2/

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2. COMPUTERS
To submit a request, click below on the link of the version you wish to order. Only liaison officers are authorised to submit online requests. Rules for requesters are available here.
Program name Package id Status Status date
TOUGH2-NESC NESC1098/03 Tested 04-MAY-1992

Machines used:

Package ID Orig. computer Test computer
NESC1098/03 CRAY X-MP IBM 3090
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3. DESCRIPTION OF PROGRAM OR FUNCTION

A successor to the TOUGH program, TOUGH2 offers added capabilities and user features, including the flexibility to handle different fluid mixtures (water, water with tracer; water,CO2; water,air; water,air,with vapour pressure lowering, and water,hydrogen), facilities for processing of geometric data (computational grids), and an internal version control system to ensure referenceability of code applications.

 

TOUGH (Transport of Unsaturated Groundwater and Heat) is a multi-dimensional numerical model for simulating the coupled transport of water, vapor, air, and heat in porous and fractured media. The program provides options for specifying injection or withdrawal of heat and fluids. Although primarily designed for studies of high-level nuclear waste isolation in partially saturated geological media, it should also be useful for a wider range of problems in heat and moisture transfer, and in the drying of porous  materials. For example, geothermal reservoir simulation problems can be handled simply by setting the air mass function equal to zero on input. The TOUGH simulator was developed for problems involving strongly heat-driven flow. To describe these phenomena a multi-phase approach to fluid and heat flow is used, which fully accounts for the movement of gaseous and liquid phases, their transport of latent transitions between liquid and vapor. TOUGH takes account of fluid flow in both liquid and gaseous phases occurring under pressure, viscous, and gravity forces according to Darcy's law. Interference between the phases is represented by means of relative permeability  functions. The code handles binary, but not Knudsen, diffusion in the gas phase and capillary and phase absorption effects for the liquid phase. Heat transport occurs by means of conduction with thermal conductivity dependent on water saturation, convection, and  binary diffusion, which includes both sensible and latent heat.

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4. METHODS

All thermophysical properties of liquid water and vapor are obtained from steam table equations, as given by the International Formulation Committee, 1967. Air is treated as an ideal gas, and additivity of partial pressures is assumed for air/vapor mixtures. The viscosity of these mixtures is computed by a formulation given by Hirschfelder et al., but using steam table values instead of approximations from kinetic gas theory for vapor viscosity. Air dissolution in water is represented by Henry's law. The basic mass- and energy-balance equations are written in integral form for an arbitrary flow domain. The continuum equations are discretized in space using the "integral finite difference" method. Time is discretized fully implicitly as a first-order finite difference to obtain the needed numerical stability for an efficient calculation of multi-phase flow. The resulting set of algebraic equations are strongly coupled and highly nonlinear. A completely simultaneous solution of the discretized mass- and energy-balance equations is performed taking all coupling terms into account. The nonlinearities are handled by Newton-Raphson iteration. The discretized equations are valid for one-, two-, or three-dimensional regular and irregular geometries and for porous as well as fractured media.

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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

Maxima of

  • 500 grid blocks

  • 27 reservoir domains

  • 8 relative permeability functions

  • 7 capillary pressure functions

No allowance is made for vapor pressure lowering or for hysteresis in either capillary pressure or relative permeability. TOUGH does not perform stress calculations for the solid skeleton, but does allow for porosity changes in response to changes in pore pressure (compressibility) and temperature (expansivity).

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6. TYPICAL RUNNING TIME

The longest running sample problem requires 3 CP minutes on a Cray X-MP/14 (TOUGH2), 2 CPU hours on a SUN3 (TOUGH) with SUN Floating-Point Accelerator, and 1.3 CPU hours on a DEC VAX6220.

NESC1098/03
NEA-DB compiled the program on an IBM 3090 computer and ran the test cases included in this package. For execution, the following CPU times were required: SAM1-EOS3: 2 secs; SAM1-EOS5: 2
secs; RHP-EOS3: 4 min 30 secs; RHP-EOS4: 5 min 17 secs; RVF-EOS1: 3
secs; RFP-EOS1: 1 min 30 secs; RFP-EOS2: 2 min 12 secs.
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7. UNUSUAL FEATURES OF THE PROGRAM

A library of the most commonly used capillary pressure and relative permeability functions is provided in the TOUGH source; values are selected by means of input  data. Additional functions may be used by adding the necessary FORTRAN code to the appropriate subroutines.

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8. RELATED OR AUXILIARY PROGRAMS

TOUGH and TOUGH2 belong to the MULKOM family of multi-phase, multi-component codes, developed at Lawrence Berkeley Laboratory primarily for geothermal reservoir applications. TOUGH2 includes a number of fluid property modules (also referred to as equation-of-state or EOS modules). The formulation of the TOUGH governing equations is analogous to the multi-phase treatment customarily used in geothermal reservoir simulators, such as SHAFT79 (NESC 893).

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9. STATUS
Package ID Status date Status
NESC1098/03 04-MAY-1992 Tested at NEADB
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10. REFERENCES
  • TOUGH, NESC No. 1098.SUN, TOUGH SUN Version Tape Description and Sample Problem Output NESC 91-01 (October 2, 1990).

NESC1098/03, included references:
- Karsten Pruess:
  TOUGH2 - A General-Purpose Numerical Simulator for Multiphase
  Fluid and Heat Flow
  LBL-29400, UC-251 (May 1991).
- Karsten Pruess:
  TOUGH User's Guide
  NUREG/CR-4645 (SAND86-7104), (June 1987).
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11. HARDWARE REQUIREMENTS

1.3 Mwords of memory are required on a Cray X-MP/14 and 2 Mbytes on a DEC VAX6220.

NESC1098/03
All sample cases ran on IBM 3090 in less than 4 MB of main storage.
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NESC1098/03 FORTRAN-77
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13. SOFTWARE REQUIREMENTS

UNICOS (Cray), UNIX 4.2 (SUN), VMS 4.6, 5.2 (DEC VAX).

NESC1098/03
MVS/XA (IBM 3090).
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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS

TOUGH input files can be run with TOUGH2, so that existing TOUGH applications can be maintained.

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15. NAME AND ESTABLISHMENT OF AUTHORS

  CRAX     K.A. Pruess
           Earth Sciences Division
           Lawrence Berkeley Laboratory

 

   SUN     C. Cooper
           Water Resources Center
           Desert Research Institute

 

   VAX     J.D. Osnes
           RE/SPEC Inc.

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16. MATERIAL AVAILABLE
NESC1098/03
File name File description Records
NESC1098_03.001 Information file 85
NESC1098_03.002 Machine-readable documentation (by author) 182
NESC1098_03.003 JCL and control information (NEADB) 138
NESC1098_03.004 TOUGH2 FORTRAN source program 8405
NESC1098_03.005 EOS 1 Subrout. for water or 2 waters 1099
NESC1098_03.006 EOS 2 Subrout. for water/CO2 mixtures 1187
NESC1098_03.007 EOS 3 Subroutine for water/air 1131
NESC1098_03.008 EOS 4 Subrout.for water/air with vapor pres. 1384
NESC1098_03.009 EOS 5 Subrout.for water/hydrogen 1135
NESC1098_03.010 SAM1 sample problem 1 code demonstration 84
NESC1098_03.011 RHP samp prob 2 heat pipe in cyl. geometry 40
NESC1098_03.012 RVF sam. prob 3 heat sweep in a vert. fract. 31
NESC1098_03.013 RVF sam. prob 3 heat sweep etc. (NEADB) 29
NESC1098_03.014 RFP sam. prob 4 5-spot geoth. prod/injection 128
NESC1098_03.015 SAM1 S.P. 1 output (EOS3) 826
NESC1098_03.016 SAM1 S.P. 1 output (EOS5) 813
NESC1098_03.017 RHP S.P. 2 output (EOS3) 1708
NESC1098_03.018 RHP S.P. 2 output (EOS4) 1625
NESC1098_03.019 RVF1 S.P. 3 output (EOS1) (by author) 156
NESC1098_03.020 RVF2 S.P. 3 output (EOS1) (by author) 236
NESC1098_03.021 RVF3 S.P. 3 output (EOS1) (by author) 567
NESC1098_03.022 RVF S.P. 3 output (EOS1) (NEADB) 495
NESC1098_03.023 RFP S.P. 4 output (EOS1) 1038
NESC1098_03.024 RFP S.P. 4 output (EOS2) 1238
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17. CATEGORIES
  • R. Environmental and Earth Sciences

Keywords: finite difference method, geothermal systems, multiphase flow.