mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-15 16:18:22 +01:00
490fd2be41
reactants to be interpreted as moles per liter of WATER or moles per liter of ROCK: UNITS -equilibrium_phases ROCK -exchange ROCK -surface WATER -solid_solution WATER -kinetics WATER -gas_phase WATER By default, the number of moles of solid reactants are interpreted as per liter of water. Using the ROCK option, PHAST interprets the number of moles of solid reactants obtained from the initial PHREEQC calculation as per liter of rock. Note that an initial PHREEQC calculation is made at the beginning of a PHAST run. During this calculation all reaction calculations interpret the concentration of solid reactants as simply moles. (When a solution is reacted with the solids, the solution contains a mass of water, which is usually 1 kg, but not necessarily.) It is only when initial conditions are subsequently distributed in the PHAST calculation that solid reactants are scaled. If the units are WATER, t here is no scaling and the number of moles of solids is the number of moles per liter of water. If the units are ROCK, the number of moles of a solid reactant is multiplied by (1-phi)/phi, where phi is the porosity in the cell receiving the initial condition, to arrive at the number of moles of solid reactant per liter of water. The addition of the ROCK option is motivated by the possibility of a domain with a distribution of porosities. In this case, the number of moles of solid reactants per liter of water-- the units used by PHAST--also vary spatially. By using the ROCK option, a constant rock composition can be defined and the factor (1-phi)/phi is used to scale the number of moles of solid reactant to obtain the number of moles per liter of water in each cell. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3902 1feff8c3-07ed-0310-ac33-dd36852eb9cd