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DATABASE D:\Software\PHREEQC\GroutDegradation\concrete_3T_V07_02.datTITLE Cement Hydration # CEM I 42.5 N - SR 3 MH/LA with a w/c ratio of 0.47SOLUTION 1 temp 25 pH 7 charge -water 0.047 # kg EQUILIBRIUM_PHASES 1 Portlandite 0 0 Brucite 0 0 HydrotaliceOH 0 0 HydrotalciteC 0 0 Syngenite 0 0 CAH10 0 0 Al(OH)3am 0 0 Fe(OH)3mic 0 0SOLID_SOLUTIONS 1 CSH-I -comp SiO2am 0 -comp CSHtob1 0CSH-II -comp CSHjen 0 -comp CSHtob2 0AFt -comp Ettringite 0 -comp Tricarboaluminate 0 -comp Fe-ettringite 0AFm-OH-SO4 -comp C4AH13 0 -comp C4FH13 0 -comp C2AH8 0 -comp C2FH8 0 -comp stratlingite 0 -comp Fe-stratlingite 0 -comp Monosulfoaluminate 0 -comp Fe-monosulfate 0AFm-monocarbo -comp Monocarboaluminate 0 -comp Fe-monocarbonate 0AFm-hemicarbo -comp Hemicarboaluminate 0 -comp Fe-hemicarbonate 0Hydrogarnet -comp HydrogarnetOH 0 -comp HydrogarnetFe 0 REACTION 1 CaO 0.011412268 SiO2 0.00349534 Al2O3 0.000343272 Fe2O3 0.000288058 MgO 0.000173697 K2O 6.58174E-05 Na2O 1.1294E-05 SO3 0.000274794 0.47RATES C3S-start 10 REM PARM(1) = A,Blaine surface area of cement, m^2/kg 20 REM PARM(2) = A0,reference surface area of cement, m^2/kg 30 REM PARM(3) = E,the apparent activation energy of C3S, J/mol 40 REM PARM(4) = R,ideal gas constant 50 REM PARM(5) = T0,the reference temperature, K 60 a = M 70 r1 = (1.5/0.7)*(1-a)*((-LOG(1-a))^0.3) 80 r2 = (((1-a)^(2/3))*0.05)/(1-((1-a)^(1/3))) 90 r3 = (1.1*(1-a)^3.3)110 IF(a > (1.8*0.5)) THEN f = ((((1.8*0.5)-a)*3.333)+1)^4 ELSE f = 1130 min = r1140 IF min > r2 THEN min = r2150 IF min > r3 THEN min = r3160 R_hyd = f*min*(PARM(1)/PARM(2))*EXP((PARM(3)/PARM(4))*((1/PARM(5))-(1/TK)))170 a_t = a + R_hyd * TIME / 86400180 PUT(a_t, 1)190 unhydrated_C3S = Get(1) * M0200 SAVE unhydrated_C3S300 print r1, r2, r3, f, a, a_t-endKINETICS 1C3S -formula (CaO)3(SiO2) -m0 0.2621 -m 0.2621 -parms 386 385 41570 8.3144 293.15 -tol 1e-008 -steps 864000 in 100 steps-step_divide 1-runge_kutta 3-bad_step_max 5000# -cvode trueINCREMENTAL_REACTIONS trueUSER_GRAPH 1 -headings Time C3S -axis_titles "Time (days)" "C3S (%)" -chart_title "C3S" -initial_solutions false -connect_simulations true -plot_concentration_vs x -start10 GRAPH_X total_time/8640020 GRAPH_Y KIN("C3S") * 228.32 -end -active trueEND