TOUGH2 Overview

Adopted from Stefan Finsterle

Finsterle GeoConsulting
Kensington, California

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Chapter 4. TOUGH2 Overview

• Capabilities
• Code architecture
• Installation
• Basic input/output concepts

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 That’s TOUGH!
TOUGH2: Transport Of Unsaturated Groundwater and Heat 2

multidimensional 0D, 1D, 2D, 3D

multiphase liquid, gas, NAPL
multicomponent water, air, VOC, radionuclides
nonisothermal heat
flow and transport multiphase Darcy law
fractured-porous media DFN, dual-f, dual-k, MINC, ECM

EOS: Equation-Of-State
Accurate description of thermophysical properties
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 TOUGH2 Summary
• multiphase flow
– pressure, viscous, gravitational forces
– capillary pressure, relative permeability
– vapor pressure lowering
– appearance/disappearance of phases
– accurate thermodynamic properties

• Multicomponent – compositional model

– phase partitioning, dissolution/precipitation
– sorption, multiphase diffusion
– parent-daughter decay of radionuclides

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 TOUGH2 Summary (cont.)
• nonisothermal system
– heat convection/conduction/diffusion
– latent heat effects (evaporation/condensation)
– radiative heat transfer
– semi-analytical heat exchange with confining
layers and wells

• fractured-porous media
– discrete fracture network
– equivalent continuum model
– double-porosity
– dual-permeability
– multiple interacting continua (MINC)
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 TOUGH Summary (cont.)
• Integral (Integrated) Finite Differences
• Fully coupled (mass and energy)
• Fully implicit
• Permeability/mobility weighting options
• Newton-Raphson (?)
• Absolute and relative residual convergence
criteria
• Direct and iterative linear equation solvers
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 Architecture
• Balance equations for multiphase/multicomponent
and heat flow have identical mathematical form,
regardless of number and nature of components
and phases.
• Differences in fluid systems (types of components
and phases present) is only in fluid properties.
• “Modular” architecture:
– Core module for assembling flow and transport equation
– Equation-of-state (EOS) module: thermophysical and
transport properties
– Module for linear equation solver
– Modules for input/output
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Modular Architecture for TOUGH2-EGS

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 Equation-of-State Modules
• EOS1 : water, tracer, heat
• EOS2 : water, CO2, heat
• EOS3 : water, air, heat
• EOS4 : water, air, heat, VPL
• EOS5 : water, hydrogen, heat
• EOS7 : water, brine, air, heat
• EOS7r : water, brine, RN1, RN2, air, heat
• EOS8 : water, oil, NCG, heat
• EOS9 : water (variably unsaturated: Richards’ equation)
• EWASG : water, brine, NCG, heat
• ECO2N : water, brine, CO2, heat
• ECO2M : water, brine, CO2, heat (multiphase)
• T2VOC : water, air, VOC, heat
• TMVOC : water, air, m VOCs, m NCGs, heat 9
 Formatted Text Input
• No graphical user interface is part of TOUGH2 (check
Pre- Postprocessing tab at http://tough.lbl.gov)
• Text-based (ASCII) input file → use text editor (e.g.,
TextPad, WordPad, Notepad, EDIT, …, without
saving formatting characters), and without using tabs
• Input file has strict formatting requirements →
see FORTRAN formatting statements in manual, e.g.:

Format(A5,5X,2E10.4)
• Columns 1-5: 5-character string
• Columns 6-10: 5 spaces
• Columns 11-20, 21-30: Two real numbers
max. 10 digits
format irrelevant
include decimal point 11
 Main Input Blocks
• 5-character keywords in columns 1-5 indicate main input
blocks:
– Mesh: MESHM, ELEME, CONNE
– Material properties: ROCKS, RPCAP, SELEC, DIFFU
– Initial/boundary conditions: INDOM, INCON, GENER
– Computational parameters: PARAM, SOLVR, MULTI,
ENDCY
– Output: TIMES, FOFT, COFT, GOFT
• Certain blocks can be provided in external files:
– MESH, INCON, GENER
• Blocks of variable length (ROCKS, ELEME, CONNE, GENER,
INCON, INDOM) need to be terminated by an empty line
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TOUGH2 Input Format

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TOUGH2 Input Format (cont’d)

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TOUGH2 Input Format (cont’d)

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 General Remarks
• Blank space may invoke (non-zero!) default value!
• Many hidden flags; examples:
– SPHT
– non-zero/negative values
– special domain names (REFCO, SEED)

• Some blocks are optional

• Blocks can be provided in (almost) any order;
exceptions:
– First line must be title line
– ELEME before CONNE
– START before INCON
– MULTI before PARAM, INDOM, and INCON (only if NKINNK)
– Follow convention (suggestion: TITLE, ROCKS, RPCAP,
PARAM, ELEME, CONNE, GENER, INCON, ENDCY) 16
 Files
• Main input file (arbitrary name + .txt or blank)
• Optional input files:
– MESH Grid (blocks ELEME and CONNE)
– INCON Initial conditions
– GENER Neumann boundary conditions
• Main output file (arbitrary name + .out)
• Additional output files
– SAVE final system state (set of primary variables)
→ initial conditions for continuation run → INCON
– LINEQ, VERS
– TABLE, FOFT, COFT, GOFT
– MESH, MINC, GENER
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 Output
• No graphical output
• Some postprocessors available, check:
http://tough.lbl.gov
• Main ASCII output file
• Special output files

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• Development of pre- and
postprocessing software is outside
scope of SC National Lab
• Private industry develops TOUGH-
specific pre- and postprocessors or
provides interfaces to TOUGH
– PetraSim (Thunderhead Engineering Inc.)
– mView (Geofirma Engineering Ltd.)
– Leapfrog (ARANZ Geo)
– GMS (AQUAVEO)
– GeoModeller (Intrepid Geophysics)
– Petrel (SLB; Audigane et al., C&G, 2011)
• Some LBNL Developments
– WinGridder
– EXT (TOUGH → Tecplot)
– MeshMaker