#UT21_init04_Zhang #----------------------------------------------------------------------------- #DEFINITION OF THE GEOCHEMICAL SYSTEM #PRIMARY AQUEOUS SPECIES h2o 0 h+ 0 ca+2 0 cl- 0 hco3- 0 k+ 0 mg+2 0 na+ 0 sio2(aq) 0 fe+2 0 fe+3 0 * # AQUEOUS KINETICS * # AQUEOUS COMPLEXES * # MINERALS quartz 0 0 0 0 0. 0. 0. hematite 0 0 0 0 0. 0. 0. * # GASES co2(g) 1 * # SURFACE COMPLEXES * # SPECIES WITH Kd AND DECAY decay constant(1/s) * # EXCHANGEABLE CATIONS * #---------------------------------------------------------------------------- # INITIAL AND BOUDARY WATER TYPES 1 0 !niwtype, nbwtype = number of initial and boundary waters # Index Speciation T(C) P(bar) 1 20.0 1.0 # icon NRguess(molal) ctot (molal) h2o 1 1.00E+00 1.00E+00 * 0. ! Water in kg !!! h+ 3 3.16E-07 3.16E-07 * 0. ca+2 1 0.06E+00 0.06E+00 * 0. cl- 1 0.36E+00 0.36E+00 * 0. hco3- 1 0.99E-08 1.00E-08 * 0. k+ 1 0.02E+00 0.02E+00 * 0. mg+1 1 0.01E+00 0.01E+00 * 0. na+ 1 0.21E+00 0.21E+00 * 0. sio2(aq) 1 3.54E-04 3.55E-04 * 0. fe+2 1 0.99E-15 1.00E-15 * 0. fe+3 1 0.99E-10 1.00E-10 * 0. * #---------------------------------------------------------------------------- # INITIAL MINERAL ZONES 1 !nmtype= number of mineral zones 1 !imtype= mineral zone index # mineral vol.frac. quartz 1.0 0 hematite 0.0 0 * #---------------------------------------------------------------------------- # INITIAL and Injection gas ZONES 1 0 !number initial and injection gas zones 1 !igtype= gas zone index #gas partial pressure (bar) !if zero or blank, equil with solution co2(g) 0.1 * #---------------------------------------------------------------------------- # Permeability-Porosity Zones * #---------------------------------------------------------------------------- # INITIAL SURFACE ADSORPTION ZONES * #---------------------------------------------------------------------------- # INITIAL LINEAR EQUILIBRIUM Kd ZONE * #---------------------------------------if Sden=0 Kd store retardation factor # INITIAL ZONES OF CATION EXCHANGE * #end