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.
 

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.