DATABASE C:\01_MIWE_Data\TUCloud\01_TU_Projekte\58_MgO_with_organic-acids\EXP-MPE_for-paper\PHREEQC-Model\Database\20251005_phreeqc_database.dat SOLUTION 1 temp 25 pH 7 charge pe 4 redox pe units mol/kgw density 1 Acetate 10 -water 1 # kg SAVE SOLUTION 1 REACTION 1 CaO 1 14 moles in 500 steps #(5000) EQUILIBRIUM_PHASES 1 Ca-Ace 0 10 precipitate_only Portlandite 0 10 precipitate_only USER_GRAPH 1 -headings pH Ca10 -axis_titles "pH" "Me in mol/kgw" "" -initial_solutions false -connect_simulations false -axis_scale x_axis 2 14 auto auto -axis_scale y_axis 0 8 auto auto -plot_concentration_vs x -start 10 pH = -LA("H+") 110 GRAPH_X pH 120 GRAPH_Y tot("Ca") -end -active true USER_GRAPH 2 -headings pH Ca-Ace10 Por10 -axis_titles "pH" "SI" "" -initial_solutions false -connect_simulations false -axis_scale x_axis 2 14 auto auto -axis_scale y_axis -10 1 auto auto -plot_concentration_vs x -start 10 pH = -LA("H+") 110 GRAPH_X pH 120 GRAPH_Y SI("Ca-Ace"), SI("Portlandite") -end -active true USER_GRAPH 3 -headings pH Ca-Ace10 Por10 -axis_titles "pH" "Binder mol/kgw" "" -initial_solutions false -connect_simulations false -axis_scale x_axis 2 14 auto auto -axis_scale y_axis 0 10 auto auto -plot_concentration_vs x -start 10 pH = -LA("H+") 110 GRAPH_X pH 120 GRAPH_Y EQUI_DELTA("Ca-Ace"), EQUI_DELTA("Portlandite") -end -active true USER_GRAPH 4 -headings pH RXN10 -axis_titles "RXN" "pH" "" -initial_solutions false -connect_simulations false #-axis_scale x_axis 2 10 auto auto -axis_scale y_axis 2 14 auto auto -plot_concentration_vs x -start 10 pH = -LA("H+") 110 GRAPH_X RXN 120 GRAPH_Y pH -end -active true USER_GRAPH 5 -headings pH rho10 -axis_titles "RXN" "rho kg/dm³" "" -initial_solutions false -connect_simulations false #-axis_scale x_axis 2 10 auto auto -axis_scale y_axis 1 2.5 auto auto -plot_concentration_vs x -start 110 GRAPH_X RXN 120 GRAPH_Y RHO -end -active true USER_GRAPH 6 -headings pH Ca10 Ace10 -axis_titles "RXN" "Me in mol/kgw" "" -initial_solutions false -connect_simulations false -axis_scale x_axis 2 14 auto auto -axis_scale y_axis 0 8 auto auto -plot_concentration_vs x -start 10 pH = RXN 110 GRAPH_X pH 120 GRAPH_Y tot("Ca"), tot("acetate") -end -active true END ############################################################################### #------------------------------------------------------------------------------ ############################################################################### SOLUTION 1 temp 25 pH 7 charge pe 4 redox pe units mol/kgw density 1 Acetate 14 -water 1 # kg SAVE SOLUTION 1 REACTION 1 CaO 1 14 moles in 500 steps #(5000) EQUILIBRIUM_PHASES 1 Ca-Ace 0 10 precipitate_only Portlandite 0 10 precipitate_only USER_GRAPH 1 -headings pH Ca14 USER_GRAPH 2 -headings pH Ca-Ace14 Por14 USER_GRAPH 3 -headings pH Ca-Ace14 Por14 USER_GRAPH 4 -headings pH RXN14 USER_GRAPH 5 -headings pH Ca-Ace14 Por14 USER_GRAPH 6 -headings pH Ca14 Ace14 END ############################################################################### #------------------------------------------------------------------------------ ############################################################################### SOLUTION 1 temp 25 pH 7 charge pe 4 redox pe units mol/kgw density 1 Acetate 18 -water 1 # kg SAVE SOLUTION 1 REACTION 1 CaO 1 14 moles in 500 steps #(5000) EQUILIBRIUM_PHASES 1 Ca-Ace 0 10 precipitate_only Portlandite 0 10 precipitate_only USER_GRAPH 1 -headings pH Ca18 USER_GRAPH 2 -headings pH Ca-Ace18 Por18 USER_GRAPH 3 -headings pH Ca-Ace18 Por18 USER_GRAPH 4 -headings pH RXN18 USER_GRAPH 5 -headings pH Ca-Ace18 Por18 USER_GRAPH 6 -headings pH Ca18 Ace18 END ############################################################################### #------------------------------------------------------------------------------ ###############################################################################