DATA SET 14: VARIABLE BOUNDARY CONDITIONS

This data set is required if and only if NVES > 0. Boundary conditions must be specified for all mobile components (i.e. those with INDTC(I,1) = 0 or 1), for all kinetic aqueous complexed chemical product species, for all aqueous phase microbial species, and for temperature if ISHEAT > 0. (NVES is specified in Data Set 12; INDTC is specified in Data Set 10).

Four groups of records are required for this data set: The first group is used to specify the incoming concentration profiles. The second group is used to assign the type of incoming concentration profile to each of the NVES boundary sides. The third group is used to read the global nodal number of NVNP in-flow and out-flow nodes. The fourth group is used to specify the information of the NVES element sides. The first group and the second group, together and in sequence as a supergroup, should be repeated (NOHA + NOKX + NOMB) times for simulations without heat transfer or (NOHA + NOKX + NOMB + 1) times for simulations with heat transfer (i.e., ISHEAT > 0). The program checks INDTC(I,1) for each of the NOH components, and only reads a boundary condition if INDTC(I,1) <= 1 (i.e. do not specify a boundary condition for fixed concentration or immobile components).

  1. Incoming concentration profiles: Number of lines depends on NVPR, NVDP, and NOHA + NOKX + NOMB. Each line contains a number of data points = 2*NVDP numerical numbers. Each line is free-field format input. For a transport component and temperature, the sequence of input goes by a (time, concentration/temperature) pair that is repeated until all the NVDP pairs are entered. This sequence of input is then repeated for the next component and/or temperature.

For K=1, NOHA + NOKX + NOMB +1, I = 1, NVPR, J = 1, NVDP,

  1. TCVBF(J,I,K) = Time of J-th data point in I-th incoming concentration/ temperature versus time profile for K-th component (T).
  1. CVBF(J,I,K) = Concentration (K <= NOHA + NOKX + NOMB) or temperature (K = NOHA + NOKX + NOMB + 1) of J-th data point in I-th incoming concentration/temperature versus time profile for K-th component: (moles/liter or oK).
  1. Incoming concentration/temperature profile type assigned to variable-boundary sides: Typically, one line per well node is needed. However, automatic generation may be used. Each line is free-field format input containing the following:
  1. MI = Compressed variable-boundary side number of the first side in a sequence.
  2. NSEQ = NSEQ subsequent sides will be generated automatically.
  3. MIAD = Increment of the compressed variable-boundary element side number for each of the NSEQ subsequent sides.
  4. MITYP = Type of incoming concentration profile assigned to side MI.
  5. MTYPAD = Increment of the type of incoming concentration profile for each of the NSEQ subsequent sides.

NOTE: A line containing five zeros separated by spaces or commas is used to end the input of this data subset.

  1. Global nodal number of NVNP variable-boundary condition nodes: Typically, NVNP lines are needed. However, automatic generation can be used. This group of data is needed for two- and three-dimensional problems only. Each line is free-field format input containing the following:
  1. NI = Compressed variable-boundary node number of the first node in a sequence.
  2. NSEQ = NSEQ subsequent nodes will be generated automatically.
  3. NIAD = Increment of the compressed variable-boundary node number for each of the NSEQ subsequent sides.
  4. NODE = Global node of the compressed node NI.
  5. NODEAD = Increment of NODE for each of the NSEQ subsequent nodes.

NOTE: A line containing five zeros separated by spaces or commas is used to end the input of this data subset.

  1. Specification of variable-boundary sides: The formats for one-, two-, and three-dimensional problems are slightly different.

One-Dimensional Problems:

One or two integer numbers specifying the elements associated with the ends of the domain are required.

  1. MVES(1) = global element number of the first variable boundary side (=1 or NEL).
  2. MVES(2) = global element number of the second variable boundary side(=1 or NEL).

Two-Dimensional Problems:

Typically, NVES lines are required, one each for a variable-boundary element side. However, if a group of variable-boundary element sides appears in a regular pattern, automatic generation may be used. Each line is free-field format input containing the following:

  1. MI = Compressed variable boundary element-side number of the first element side in a sequence.
  2. NSEQ = NSEQ subsequent variable-boundary element sides will be generated automatically.
  3. M = Global element number to which the MI-th element side belongs.
  4. IS1 = Compressed variable-boundary nodal number of the first node of element side MI.
  5. IS2 = Compressed variable-boundary nodal number of the second node of element side MI.
  6. MIAD = Increment of MI for each of the NSEQ subsequent variable-boundary element sides.
  7. MAD = Increment of M for each of the NSEQ subsequent variable-boundary element sides.
  8. IS1AD = Increment of IS1 for each of the NSEQ subsequent variable-boundary element sides.
  9. IS2AD = Increment of IS2 for each of the NSEQ subsequent variable-boundary element sides.

NOTE: A line with nine zeros separated by spaces or commas is used to end the input of this data subset.

Three-Dimensional Problems:

Normally, NVES records are required, each for a variable boundary (VB) element side. However, if a group of variable boundary sides appears in a regular pattern, automatic generation may be made. Each record, in free format, contains the following variables.

  1. MI = Compressed VB element side number of the first element side in a sequence.
  2. NSEQ = NSEQ subsequent VB element sides will be generated automatically.
  3. M = Global element number of the element associated with the VB element side.
  4. I1 = Compressed node number of the first node of element side MI.
  5. I2 = Compressed node number of the second node of element side MI.
  6. I3 = Compressed node number of the third node of element side MI.
  7. I4 = Compressed node number of the fourth node of element side MI.
  8. MIAD = Increment of MI for each of the NSEQ subsequent VB element sides.
  9. MAD = Increment of M for each of the NSEQ subsequent VB element sides.
  10. I1AD = Increment of I1 for each of the NSEQ subsequent VB element sides.
  11. I2AD = Increment of I2 for each of the NSEQ subsequent VB element sides.
  12. I3AD = Increment of I3 for each of the NSEQ subsequent VB element sides.
  13. I4AD = Increment of I4 for each of the NSEQ subsequent VB element sides.

NOTE: A blank line with 13 0's must be used to signal the end of this subset.

v1.0 - 1/14/1999

Jin-Ping Gwo, email: jgwo@umbc.edu