Changes in PFLOTRAN 6.0

The following has changed in PFLOTRAN 6.0:

  • PETSc release updated to 3.21

  • Fixed bug when using relative paths to files

  • Added buffer erosion and copper corrosion model waste form process model

  • Fixed bug in mineral tst rate expression affinity factor derivative

  • Added tightly coupled well model for sco2 and hydrate

  • Added analytical waste form mechanism

  • Added error message in ufd decay when a material is not found for the kd values

  • Added exponential freezing curve in hydrate mode

  • Added temperature dependence to Lambda reaction sandbox

  • Added the ability to output cell IDs (local, ghosted, petsc, natural) for debugging purposes

  • Added the option to read well model constraints from FLOW_CONDITIONS

  • Added an error message when SUBSURFACE_TRANSPORT is specified in the SIMULATION block but a CHEMISTRY block does not exist.

  • Deprecated -stochastic command line argument in favor of -multi_realization

  • Added heterogeneous Waxman-Smits clay conductivity for ERT process model

  • Added sco2 as a component in HYDRATE mode

  • Fixed mass balance file headers for GENERAL mode

  • Added CI scripting to catch trailing spaces in source files

  • Added heterogeneous Archie parameters to material property

  • Added error messaging to ensure that ERT electrodes are mapped to a cell

  • Improved DBASE error messaging when a parameter is not found in the database

  • Added screen output of number of grid cells, min/max grid cells per process, and number of active and inactive cells

  • Added wedge and pyramid shape function for geomechanics

  • Added pressure-regulated source term in source/sink sandbox

  • Added SCO2 (supercritical CO2) process model

  • Eliminated the printing of min/max/mean in gold files for regression tests with one cell

  • Added the ability to print REGIONs to HDF5 files for debugging conceptual models

  • Added ‘atm’ as a pressure unit

  • Refactored geomechanics tet shape function

  • Added error messaging when a CHARACTERISTIC_CURVE is used without a flow mode

  • Refactored ERT to use a mixture of two solution concentrations when calculating bulk conductivity (e.g., differing ionic strengths)

  • Implemented stress/strain linkage between geomechanics and ERT

  • Expanded EOS IF97 density/enthalpy to “region 3”

  • Added the ability to run transport with solely immobile species

  • Added the parameter process model

  • Refactored the source/sink sandbox to use REGIONs instead of coordinates and cell IDs

  • Added heterogeneous surface electrical conductivity for ERT

  • Added anisotropic tortuosity

  • Added error messaging when tracer is factored into ERT electrical conductivity but no tracer transport is simulated

  • Refactored kinetic reaction inhibition and added SMOOTHSTEP as an option