TITLE Example 14.--Transport with equilibrium_phases, exchange, and surface reactions *********** PLEASE NOTE: This problem requires database file wateq4f.dat! Arsenic data of Archer and Nordstrom (2002) included in wateq4f.dat (PHREEQC Version 2.8). Results differ from WRIR 99-4259 because of revised data. *********** SURFACE_SPECIES Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+ log_k -15. Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ log_k -15. SOLUTION 1 Brine pH 5.713 pe 4.0 O2(g) -0.7 temp 25. units mol/kgw Ca .4655 Mg .1609 Na 5.402 Cl 6.642 charge C .00396 S .004725 As .05 umol/kgw END USE solution 1 EQUILIBRIUM_PHASES 1 Dolomite 0.0 1.6 Calcite 0.0 0.1 SAVE solution 1 # prints initial condition to the selected-output file SELECTED_OUTPUT -file ex14.sel -reset false -step USER_PUNCH -head m_Ca m_Mg m_Na umol_As pH 10 PUNCH TOT("Ca"), TOT("Mg"), TOT("Na"), TOT("As")*1e6, -LA("H+") END PRINT # skips print of initial exchange and initial surface to the selected-output file -selected_out false EXCHANGE 1 -equil with solution 1 X 1.0 SURFACE 1 -equil solution 1 # assumes 1/10 of iron is HFO Hfo_w 0.07 600. 30. END SOLUTION 0 20 x precipitation pH 4.6 pe 4.0 O2(g) -0.7 temp 25. units mmol/kgw Ca .191625 Mg .035797 Na .122668 Cl .133704 C .01096 S .235153 charge EQUILIBRIUM_PHASES 0 Dolomite 0.0 1.6 Calcite 0.0 0.1 CO2(g) -1.5 10. SAVE solution 0 END PRINT -selected_out true ADVECTION -cells 1 -shifts 200 -print_frequency 20 END