2 THE M, R0 AND R0D RECORDS
2.1 THE M RECORDS, GROUP 1
The data supplied by the M records
provide general program control and storage allocation for the global system.
These functions include:
·
primary equations to be solved in the global systems,
·
primary equations to be solved in the local subsystems,
·
radionuclide solution control,
·
restart control,
·
printing and plotting control,
·
number of grid blocks in the global system,
·
allocation for the coefficient matrix A.
Data input for the M Records and subsequent
data groups are to be entered in the format described in the bold faced
headers. Each header includes: a record title, format specifications, and
a general description of the type of data to be entered. Below the header
is a list of the variables in the order of entry as well as a description
of each variable. column numbers for each variable are listed for convenient
location within the data set.
READ M-1 (A80/A80)
Title.
LIST: TITLE
TITLE Two records of alphanumeric
data to serve as title for this run. Any title up to 160 characters (80/record)
in length may be used.
READ M-2 (13I5)
Option Parameters.
LIST: NCALL, RSTRT, ISURF, IFREE,
NPLP, NPLT, NPLC, IUNIT, LBIO, LMAPIT, LMBAL, LAIF, L2SORP
NCALL Control parameter for solving
the primary partial differential equations within the global system. See
Table 2-1 (Col. 1-5).
RSTRT Control parameter for restarting
the program. (Col. 6-10)
-1 - Map from restart (Choose restart
record on M-6.).
0 - A normal run starting from initial
conditions.
>0 - For a calculational restart,
the number (ITIME) of the time step from a previous run at which calculations
are to resume.
999 - For a calculational restart
in which calculations will resume from the first restart record on disk.
For a calculational restart, a restart
record from a previous run, corresponding to the specified time step, ITIME,
must exist on the restart unit (UNIT 4, Table 10.1). Parameter ITIME is
printed each time a restart record is written. Furthermore, a restart record
is written at the end of a recurrent data set providing RSTWR = 1 (READ
R2-13).
ISURF Control parameter for the wellbore
calculations (Col. 11-15).
0 - Rates and pressures will be specified
at the reservoir formation level.
1 - Surface values will be specified.
The wellbore model will calculate changes from the surface to the top of
the completion zone.
IFREE Control parameter for the free-water
surface (Col. 16-20).
0 - Inactive free-water surface mode
(confined groundwater flow).
1 - Active free-water surface mode.
Table 2-1. Global Solution Options
for the Primary Equations.*
NCALL
|
Pressure, P
|
Temperature, T
|
Brine, †
|
0
|
T
|
T
|
T
|
-2
|
T
|
T
|
|
1
|
T
|
|
|
2
|
T
|
|
T
|
3
|
|
|
|
4
|
S
|
|
|
5
|
S
|
|
S
|
*"T" denotes a transient solution option.
"S" denotes a steady-state solution
option.
Nuclide transport is controlled by
whether nuclides are defined and present (NCP$
1, Record M-3). Nuclide transport is always a transient solution. For steady-state
solutions (NCALL = 4 or 5), the first recurrent data set (R2 records) controls
the steady-state, after which the value of NCALL is automatically set to
3. Transient P, T or † may be simulated from a steady-state solution by
setting NCALL … 3 on R2-11.5 as flagged from ICLL=1 on R2-1.
REFERENCE: The free-water surface
option is described by Reeves et al. [1986a], Section 5.6.
NPLP Control parameter for plotting
pressures in the wells (Col. 21-25).
1 - Bottom-hole and, if wellbore
calculations are performed (ISURF), surface pressures are plotted. For
an observation well, (zero well injection or production rate) the bottom-hole
pressure is the grid-block pressure.
0 - No pressure plots are desired.
-1 - Pressure plots are desired for
a previous run. Skip READ M-3 through R2-15 and proceed to READ P-2.
NPLT Control parameter for plotting temperatures
in the well (Col. 26-30).
1 - For an observation well the grid-block
temperature is plotted. For an injection well the bottom-hole temperature
is plotted if wellbore calculations are performed. For a production well
the bottom-hole temperature is always plotted. In addition, the surface
temperature is plotted if the wellbore calculations are performed.
0 - No temperature plots are desired.
-1 - Temperature plots are desired
for a previous run. Skip READ M-3 through READ R2-15 and proceed to READ
P-2.
NPLC Control parameter for plotting concentration
in the well (Col. 31-35).
1 - The concentration in the well
is plotted for both observation and production wells.
0 - No concentration plots are desired.
-1 - Concentration plots are desired
for a previous run. Skip READ M-3 through R2-15 and proceed to READ P-2.
IUNIT Unit specification control (Col.
36-40).
0 - English Engineering System (lb,
ft, d).
1 - SI System (kg, m, s).
LBIO Nuclide monitor block control (Col.
41-45).
0 - No action.
1 - Nuclide concentrations are written
on UNIT 9 (see Table 10.1) at each time step. (See Section 7.)
LMAPIT Control parameter for map matrix
output as written to UNIT 13 (see Table 10.1) an controlled via R2-14 to
15 (See Section 10.5) (Col. 46-50).
LMAPIT |
Pressure
|
File
|
00
|
No Map
|
|
01 |
Pressure at Datum
|
ASCII
|
11
|
Environmental head
|
ASCII
|
21
|
Fresh water head
|
ASCII
|
02
|
Pressure at Datum
|
Binary
|
12
|
Environmental head
|
Binary
|
22
|
Fresh water head
|
Binary
|
LMBAL Control parameter for mass
balance output to UNIT 17 (see Table 10.1) (Col. 51-55).
0 - No action.
1 - Write mass balance summary at
each time step.
LAIF Control parameter for aquifer influence
function output to UNIT 18 (see Table 10.1) (Col. 56-60).
0 - No action
1 - Write values of flux at each
time step.
L2SORP Print frequency for L2SOR matrix
inversion.
0 - Forced to 5 sweeps.
>1 - Number of sweeps between printing.
Skip to READ P-1 if NPLP, NPLT or NPLC
is negative.
Skip to READ R2-1 if this is a restart
run, i.e., if RSTRT > 0. Skip to READ M-6 if RSTRT < 0.
READ
M-3 (LIST 1: 14I5; LIST 2: 4I5) Central Memory Allocation and Program Control.
LIST 1: NX, NY, NZ, HTG, NCP,
NRT, KOUT, PRT, NSMAX, NABLMX, NRCHMX, METHOD, NTIME, KHEAT
NX Number of grid cells
in the x direction (NX >= 2) (Col. 1-5). This is also the number of radial
increments.
NY Number of grid cells in
the y direction (NY >= 1) (Col. 6-10). If HTG=3 for radial geometry, NY=1.
NZ Number of grid cells in
the z direction (NZ >= 1) (Col. 11-15).
HTG Control parameter for
input of reservoir description data (Col. 16-20).
1 - Homogeneous reservoir,
Cartesian geometry.
2 - Heterogeneous reservoir,
aquifer data entered on regional basis, Cartesian geometry.
3 - Cylindrical geometry.
The reservoir may be heterogeneous in the vertical direction.
NCP Number of radioactive/trace
components in the system (Default = 0) (Col. 21-25).
Freundlich coefficients, dispersivities,
thermal conductivities and salt-dissolution coefficients are all functions
of the global rock type. Rock types of all blocks are initialized to IRT
= 1. Changes of rock type to other values are entered in READ R1A-1.
NRT Number of global rock types (Default
= 1) (Col. 26-30).
Enter negative values for KOUT if windowing
(M-4) option is to be used.
KOUT Output control (Col. 31-35).
0 - All initialization output is
activated. This is recommended for building data sets.
+/- 1 - All initialization output
except initial arrays (concentrations, pressures, etc.) is activated. This
is recommended for production and sensitivity runs.
+/- 3 - No initialization output
is activated. A value of KOUT = 3 can be used to omit printing of most
initialization data.
PRT Output array orientation control (Col.
36-40).
-1 - Print output arrays as areal
layers (x-y). Block numbers in the x direction increase from left to right
and in the y direction decrease down the computer page.
+1 - Print output arrays as above
except that y-direction block numbers increase down the computer page.
2 - Print output arrays as vertical
x-z sections.
NSMAX Maximum number of radioactive/trace
component sources (Ref. R2-10) (Col. 41-45).
NABLMX Maximum number of aquifer influence-function
blocks. This data is used for dimensioning the influence-function arrays
(Ref. R1-27, 28) (Col. 46-50).
NRCHMX Maximum number of surface recharge
blocks (Ref. R2-2.5) (Col. 51-55).
The following parameter, METHOD, is a
flag which determines whether D4 ordering is to be performed in preparation
for the direct-solution algorithm. Parameter METHOD may be changed in READ
R2-2. Thus, for example, direct solution may be specified here, and L2S0R
solution may be specified in READ R2-2. However, the converse is not true
since, in that case, the coefficient matrix would not be properly ordered.
METHOD Matrix solution technique
(Col. 56-60).
1 - Reduced-band-width direct solution
with backward finite-difference approximation in time (BIT).
2 - Two-line successive-overrelaxation
(L2SOR) solution with a backward finite-difference approximation in time
(BIT).
-1 - Reduced band-width direct solution
with a centered finite-difference approximation in time (CIT).
-2 - Two-line successive-overrelaxation
solution (L2SOR) with a centered finite-difference approximation in time
(CIT).
The following three parameters, NTIME,
KHEAT and NREPB, are leach-model parameters (see R1A records).
NTIME Number of times for which concentrations
of unleashed radioactive components or heat-loading densities within the
repository area are to be input (Col. 61-65).
0 - Repository submodels are not
used.
1 - Only the waste-leaching submodel
is invoked. Initial conditions are to be specified for the unleashed concentrations
and decay/production processes for such concentrations are to be calculated
internally.
>1 - Both waste-leaching and repository-heating
may be considered, depending on the value KHEAT below, and interpolation
tables of unleashed concentrations versus time are to be used. Power-law
interpolation is used in each case.
KHEAT Control parameter for heat loading
in the repository blocks (Col. 66-70).
0 - No heat source.
1 - Heat source activated.
LIST 2: NREPB, KSLVD, NRTD, KOUTD
NREPB Number of repository blocks
(Col. 1-5).
The following
three parameters, KSLVD, NRTD and KOUTD, pertain to the local subsystems,
i.e., matrix. See R0D and R1D records.
KSLVD Local control parameter for
solution of both primary and radionuclide equations for the matrix. See
Table 2-2 (Col 6-10).
NRTD Number of local, i.e., matrix
rock types (Col. 11-15).
KOUTD Output control for the local
subsystems (Col. 16-20).
0 - All initialization output is
activated.
1 - No initialization output is activated.
Enter the following data if KOUT (M-3)
is less than zero.
READ
M-4 (6I5) Windowing of initialization output data.
LIST: NI1, NI2, NJ1, NJ2, NK1, NK2
NI1,NI2 Lower and upper
limits, inclusive of the window in the x-direction.
NJ1,NJ2 Lower and upper limits,
inclusive of the window in the y-direction.
NK1,NK2 Lower and upper limits,
inclusive of the window in the z-direction.
Table 2-2. Local Solution Options
for Both Primary and Radionuclide Equations1.
KSLVD |
Primary Equations
|
Radionuclide Equations
|
0
|
|
|
1 |
T
|
|
2 |
|
T
|
3
|
T
|
T
|
1Only the transient
solution option T is available for the local subsystems. For steady-state
fracture flow and transport there is no need to simulate the local (matrix)
subsystem.
2.2 THE R0 RECORDS
The R0 records are read by subroutine
READ0. They input information pertaining to the radioactive components.
This information defines each isotope in terms of its parents, branching
ratios for each parent, isotopic mass, half-life and distribution coefficient
for each rock type.
Data group R0 should be entered only
if RSTRT = 0 and NCP > 0. Otherwise skip READ R0-1 and READ R0-2.
READ R0-1 (LIST 1: I3,2A4,4X,3I5,E10.0;
LIST 2: 4(I5,5X, E10.0)). Radioactive
Component Information.
Enter NCP (READ M-3, number of components)
sets of R0-1 data.
LIST 1: MASS (I), (DI(J,I),J=1,2),
I, NP(I), LADJ(I), DEC(I)
MASS Mass number of the isotope (i.e.,
244) (Col. 1-3). Be careful in defining the mass number as this is used
in the mass decay equations. If in doubt, set to 1 for all components.
DI Identification for radioactive component
I (i.e., URANIUM) (Col. 4-11).
I Component number (Col. 15-20) starting
with the parent as number 1.
NP Number of parent components for
I (NP # NCP-1) (Col. 21-25).
Lambda adjustment is used for relatively
short half-lived radionuclides to permit the use of time steps Dt > t,
the half-life. See Reeves et al. [1986a], Section 7.2.2, for the meaning
and limitations of this procedure.
LADJ Lambda (rate-constant) adjustment
index (Col. 26-30).
1 - Modify rate constant of the isotope
I.
0 - Do not modify the rate constant.
DEC Half-life of component I in years.
For stable components with infinite half-life, enter zero (Col. 31-40).
Skip the following list if NP(I) = 0 (LIST
1).
LIST 2: KP(J), AP(J), J=1,NP
KP Parent component number (Col.
1-5).
AP Fraction of parent component KP
that decays to the component I (LIST 1) (Col. 11-20).
READ R0-2 (LIST
1: (7E10.0); LIST 2: (7E10.0)) Rock-Dependent Freundlich Coefficients.
Read one LIST-1 set for each rock type,
follow by the LIST-2 records.
LIST 1: DIS(I), I=1,NCP
DIS Adsorption coefficient k for
a Freundlich isotherm, (ft3/lb)h or (m3/kg)h.
Enter one value for each component for a total of NCP (READ M-3) values
for each rock type. Start new rock-type values on a separate record.
Read one LIST-2 set for each rock type,
after completing the LIST-1 records.
LIST 2: DIS(I), I = NCP+1, 2*NCP
DIS Adsorption exponent for a Freundlich
isotherm, dimensionless. Enter one value for each component for a total
of NCP values for each rock type. Start new rock-type values on a separate
record. The default value is h = 1.
2.3 THE R0D RECORDS
The R0D records are read
by subroutine READ0D. They provide both control and storage-allocation
data for the local system.
If KSLVD = 0, then skip all R0D input.
READ R0D-1
(I5) Control of Convection/Dispersion.
KCNVD Convection/dispersion control
for the local subsystems, i.e., matrix.
0 - No convection or dispersion for
either primary equations or radionuclide equations. Also, for the latter,
a constant fluid density and a constant porosity are assumed. For nuclides
only molecular diffusion and decay processes are solved.
1 - Convection and dispersion effects
are included, and a variable fluid density and a variable porosity are
assumed throughout.
READ R0D-2 (14I5)
Number of Local Grid Blocks.
NSD Number of local, i.e., matrix
grid blocks as a function of local rock type.
READ R0D-3 (8I5)
Matrix Rock Types.
Follow the last record of this data
group with a blank record.
LIST: I1A, I1B, J1A, J1B, K1A, K1B,
IR, IFD
I1A,I1B Lower and upper limits, inclusive,
on the I index of the region having rock type IR.
J1A,J1B (Similar definition for J index).
K1A,K1B (Similar definition for K index).
IR Local matrix rock type.
IFD Position and orientation control
for the local subsystems.
0 - Local subsystems positioned interior
to global block (dual-porosity option).
>0 - Local subsystems positioned
exterior to the global block on both sides (discrete fracture and extended
boundary-condition options).
<0 - Local subsystems positioned
exterior to the global block but on only one side (extended boundary-condition
option).
1,-1 - Local subsystems oriented
parallel to the x axis.
2,-2 - Parallel to the y axis.
3,-3 - Parallel to the z axis.
2.4 THE M RECORDS, GROUP 2
Two additional restart parameters
are input in this, the second, group of M records.
If RSTRT = 0, (READ M-2), skip to READ
R1-1.
The mapping data consist of sets of
input records, each of which contains READ's M-6, M-7, R2-14 - R2-15. Enter
as many of these sets as desired, following the last set with a blank record.
READ M-6 (I5)
Time-Step Number.
IMPT The time-step number at which
the maps are desired. A corresponding restart record must exist on UNIT
4, i.e., the control RSTWR = 1 (READ R2-13) must have been entered for
a previous calculational run.
READ M-7 (2I5)
Mapping Control.
MAP The four-digit mapping-variable
selector as defined in READ R2-13.
LMAPIT The control parameter for output
to Unit 13 as previously defined on Read M-2.
0 - No action.
See definition in M-3.
Skip to Read R2-14.