NESC9537 CFEST1.1.

1. NAME OR DESIGNATION OF PROGRAM:  CFEST1.1.

3. DESCRIPTION OF PROGRAM OR FUNCTION

CFEST is a Coupled Fluid, Energy, and Solute Transport code for the study of a multilayered, nonisothermal ground-water system. It can model discontinuous as well as continuous layers, time-dependent and constant source/sinks, and transient as well as steady-state flow. The finite element method is used for analyzing isothermal and nonisothermal events in  a confined aquifer system. Only single-phase Darcian flow is considered. In the Cartesian coordinate system, flow in a horizontal plane, in a vertical plane, or in a fully three-dimensional region can be simulated. An option also exists for the axisymmetric analysis of a vertical cross section. The code employs bilinear quadrilateral elements in all two-dimensional analyses and trilinear quadrilateral solid elements in three-dimensional simulations.

The CFEST finite element formulation can approximate discontinuities, major breaks in slope or thickness, and fault zones in individual hydrogeologic units. The code accounts for heterogeneity in aquifer permeability and porosity and accommodates  anisotropy (collinear with the Cartesian coordinates). The variation in the hydraulic properties is described on a layer-by-layer basis for the different hydrogeologic units. Options are included for both constant and time-variant Dirichlet (specification of the dependent  variables) and Neumann (specification of a flux of variables) boundary conditions. Initial conditions can be prescribed hydraulic  head or pressure, temperature, or concentration. The computations are performed in five subprograms for sequential execution of large  problems with auxiliary programs included for generation of input files and plotting of input data and computed results.

CFEST can be used to support site, repository, and waste package subsystem assessments. Some specific applications are regional hydrologic characterization; simulation of coupled transport of fluid, heat, andsalinity in the repository region; consequence assessment due to natural disruption or human intrusion scenarios in the repository region; flow paths and travel-time estimates for transport of radionuclides; and interpretation of well and tracer test.

4. METHOD OF SOLUTION

CFEST solves partial differential equations (PDEs) for pressure, temperature, and solute concentration for large, multilayered, natural hydrologic systems using the finite element method. These equations are coupled with fluid properties of density and viscosity. The relationship between porosity and pore-water pressure is also taken into account. The algorithm used to solve this coupled set of PDEs is based on linearization of the coupled equations. The scheme utilized to solve the resulting large, sparse matrices involves two matrices, one to store only nonzero coefficients and the other to identify the column associated with these coefficients. Vectors containing the first and last rows associated with each column are used to limit operations to only the required number of rows of the system matrix. For constant time steps and steafy-state flow (ignoring density variation effects), the equation solver uses a back substitution scheme. When density or viscosity effects are considered, a new system matrix is developed and solved at each time step.
The latest known values of pressure, temperature, and solute concentration are used to compute fluid are aquifer properties.

5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

Maxima of -
   4000 nodes
   4000 elements
   1000 surface nodes
   1000 surface elements
    999 grid points
    100 element sources
    100 element sinks
CFEST is primarily designed for a confined aquifer system. Unconfined steady-state and transient solutions can be obtained by iterative execution and upgrading the top elevation of the saturated zone. Variable density solutions are obtained by iterative substitution. The user must set appropriate limits for updating fluid density to avoid steady-state transport solutions that may cause oscillatory results. Multidimensional transport of a single radionuclide is supported. Radionuclide chain migrations are not simulated.

6. TYPICAL RUNNING TIME:

NEA-DB executed the test case command procedure included in this package on a DEC VAX 8810 computer in 1m36s of CPU time.

7. UNUSUAL FEATURES OF THE PROGRAM

Data for physical quantities is accepted in any consystent system of units. The user can specify the conversion factors for coordinates, hydraulic conductivity/ permeability, head, temperature, and concentration data to develop a consistent set of units for internal use. Restart capabilities allow continuation from any previously completed time step or simulation.

8. RELATED AND AUXILIARY PROGRAMS

CFEST was originally developed in a DEC PDP11/70 version for the DOE Underground Energy Storage Program  as an extension of the PDP11 version of FE3DGW (NESC 9722).

10. REFERENCES:

- S.K. Gupta, C.R. Cole, C.T. Kincaid and A.M. Monti:
  Coupled Fluid, Energy, and Solute Transport (CFEST) Model:
  Formulation and User's Manual
  BMI/ONWI-660 (October 1987)
- C. Yuelys-Miksis:
  CFEST-1 Tape Description
  NESC Note 89-02 (October 25, 1988)
- NEA Data Bank:
  Note for Users intending to implement CFEST-1.1 on CONVEX C210
  NDB/91/0688 (22 May, 1991)

11. MACHINE REQUIREMENTS:

13. OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED:

VMS V5.1-1 with compiler FORTRAN V5.0-1 (VAX 8810).

14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS

    The
auxiliary plotting programs make calls to proprietary CalComp software; this software is not included.

15. NAME AND ESTABLISHMENT OF AUTHORS

          S.K. Gupta
          Office of Nuclear Waste Isolation
          Battelle Project Management Division

          C.R. Cole
          Pacific Nowrthwest Laboratory

File name	File description	Records
NESC9537_01.001	information file	219
NESC9537_01.002	description of tape contents	37
NESC9537_01.003	command file to compile and link FOR files	57
NESC9537_01.004	description of CFEST parameters	348
NESC9537_01.005	source, initialize system matrix	460
NESC9537_01.006	generate contour plots of input and output	2574
NESC9537_01.007	reads bin files, prep. inp files for LCONTUR	428
NESC9537_01.008	diff btw models result and initial condition	613
NESC9537_01.009	restart a trans or std-state model simul	434
NESC9537_01.010	re-initialization program	384
NESC9537_01.011	prepares LPROG3I input file	570
NESC9537_01.012	creates LPROG1 input file	858
NESC9537_01.013	prepares input control file for LPROG3 exec.	574
NESC9537_01.014	estimates temperature	2992
NESC9537_01.015	plotting program	1245
NESC9537_01.016	plotting program	1246
NESC9537_01.017	lists available mass balance information	516
NESC9537_01.018	generates addit. printed time step output	614
NESC9537_01.019	reads input data and generates bun files	3613
NESC9537_01.020	calculates constant integration parameters	1154
NESC9537_01.021	main progr for cyclic estim. phys. quant.	7250
NESC9537_01.022	creates input for LPROG3	1884
NESC9537_01.023	prepares input files for LPRESULT	599
NESC9537_01.024	reads and changes the trace switches	154
NESC9537_01.025	plotting program	4419
NESC9537_01.026	plotting program	919
NESC9537_01.027	calculates and prints velocities	2864
NESC9537_01.028	plotting program	1643
NESC9537_01.029	include file	11
NESC9537_01.030	include file	105
NESC9537_01.031	include file	8
NESC9537_01.032	include file	8
NESC9537_01.033	include file	15
NESC9537_01.034	include file	9
NESC9537_01.035	include file	9
NESC9537_01.036	include file	17
NESC9537_01.037	include file	9
NESC9537_01.038	include file	9
NESC9537_01.039	include file	9
NESC9537_01.040	include file	9
NESC9537_01.041	include file	10
NESC9537_01.042	include file	10
NESC9537_01.043	include file	116
NESC9537_01.044	include file	10
NESC9537_01.045	include file	10
NESC9537_01.046	include file	25
NESC9537_01.047	include file	8
NESC9537_01.048	include file	10
NESC9537_01.049	include file	36
NESC9537_01.050	include file	14
NESC9537_01.051	include file	8
NESC9537_01.052	include file	8
NESC9537_01.053	include file	49
NESC9537_01.054	include file	14
NESC9537_01.055	include file	8
NESC9537_01.056	include file	8
NESC9537_01.057	include file	16
NESC9537_01.058	include file	22
NESC9537_01.059	include file	16
NESC9537_01.060	include file	129
NESC9537_01.061	include file	12
NESC9537_01.062	include file	11
NESC9537_01.063	include file	56
NESC9537_01.064	include file	9
NESC9537_01.065	include file	9
NESC9537_01.066	include file	10
NESC9537_01.067	include file	86
NESC9537_01.068	include file	14
NESC9537_01.069	include file	9
NESC9537_01.070	include file	10
NESC9537_01.071	include file	30
NESC9537_01.072	include file	11
NESC9537_01.073	include file	77
NESC9537_01.074	include file	77
NESC9537_01.075	include file	78
NESC9537_01.076	include file	10
NESC9537_01.077	include file	25
NESC9537_01.078	include file	17
NESC9537_01.079	include file	20
NESC9537_01.080	include file	14
NESC9537_01.081	include file	8
NESC9537_01.082	include file	8
NESC9537_01.083	Description of sample problemes	21
NESC9537_01.084	command file to execute sample problems	450
NESC9537_01.085	LPROG3I input	20
NESC9537_01.086	LPROG1 input	100
NESC9537_01.087	LPROG3I input	20
NESC9537_01.088	LPROG1 input	90
NESC9537_01.089	LPROG3I input	20
NESC9537_01.090	LPROG1 input	100
NESC9537_01.091	LPROG3I input	20
NESC9537_01.092	LPROG1 input	80
NESC9537_01.093	LPROG3I input	20
NESC9537_01.094	LPROG1 input	320
NESC9537_01.095	LPROG3I input	30
NESC9537_01.096	LPROG1 input	100
NESC9537_01.097	LCONTURI input	10
NESC9537_01.098	LVSECTION input	10
NESC9537_01.099	Log file from execution of file 83	3599
NESC9537_01.100	LPROG1 output	277
NESC9537_01.101	LPROG1 output	272
NESC9537_01.102	LPROG1 output	382
NESC9537_01.103	LPROG1 output	384
NESC9537_01.104	LPROG1 output	956
NESC9537_01.105	LPROG1 output	709
NESC9537_01.106	LPROG3I output	67
NESC9537_01.107	LPROG3I output	58
NESC9537_01.108	LPROG3I output	55
NESC9537_01.109	LPROG3I output	60
NESC9537_01.110	LPROG3I output	48
NESC9537_01.111	LPROG3I output	87
NESC9537_01.112	LPROG3 output	246
NESC9537_01.113	LPROG3 output	311
NESC9537_01.114	LPROG3 output	75
NESC9537_01.115	LPROG3 output	311
NESC9537_01.116	LPROG3 output	175
NESC9537_01.117	LPROG3 output	939