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Ali A Eftekhari edited this page Jun 20, 2019 · 3 revisions

Welcome to the PhreeqcMatlab wiki! PhreeqcMatlab is (trying to be) a wrapper around PhreeqcRM with (hopefully) lots of extra Matlab-like (or Matlabesque) functionality.

Single cell solver

Transport solvers

PhreeqcMatlab has its own transport solver, viz. PhreeqcAdvection and PhreeqcTransport that read the phreeqc keywords from the ADVECTION and Transport blocks of phreeqc input files. There are some extra keywords that are specific to the PhreeqcMatlab. Those keywords are defined here:

Advection keywords

  • cells: number of finite volume cells in the 1D domain
  • shifts: number of shifts from the left cells to the neighboring right cells
  • time_step: time for each shift in second; only used for the kinetic reactions
  • initial_saturation: initial liquid saturation in the cells
  • initial_porosity: initial porosity of the cells
  • representative_volume: representative volume for the phreeqcrm cells in liter; see the phreeqc manual for more details. It is strongly advised to use 1.0 liter for numerical stability.
  • threads: number of threads for OpenMP parallel computations.
  • component_water: [0 or 1] if 0, water will not be considered as a separate component in the component list, and its magnitude will be added to elements H and O. If 1, water will be treated as a component.
  • error_handler_mode: [0, 1, or 2] See RM_SetErrorHandlerMode for the default way of handling errors in phreeqcrm
  • partition_uz_solids: [0 or 1]
  • rebalance_fraction: A number between 0.0 and 1.0
  • rebalance_by_cell: [0 or 1]
  • use_solution_density_volume: [0 or 1] if 1, the liquid density in each cell is calculated by PhreeqcRM (only for phreeqc.dat and pitzer.dat databases), if 1, the liquid density must be specified by the user (in kg/L)
  • units_solution: [1 or 2 or 3] 1, mg/L; 2, mol/L; 3, kg/kgs
  • units_pp_assemblage: [0 or 1 or 2] 0, mol/L cell; 1, mol/L water; 2 mol/L rock
  • units_exchange: [0 or 1 or 2] 0, mol/L cell; 1, mol/L water; 2 mol/L rock
  • units_surface: [0 or 1 or 2] 0, mol/L cell; 1, mol/L water; 2 mol/L rock
  • units_gas_phase: [0 or 1 or 2] 0, mol/L cell; 1, mol/L water; 2 mol/L rock
  • units_ss_assemblage: [0 or 1 or 2] 0, mol/L cell; 1, mol/L water; 2 mol/L rock
  • units_kinetics: [0 or 1 or 2] 0, mol/L cell; 1, mol/L water; 2 mol/L rock
  • time_conversion: [0 or 1 or 2] 0, mol/L cell; 1, mol/L water; 2 mol/L rock
  • data_base: data base file name (string), e.g., 'phreeqc.dat'
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