REAC SI1.0 1. 1. .0 O 2.001 1. 1. .0 OMIT Si Hf:COD O D0(O2) OMIT O3 TPIS 1 Si(cr) Silico OMIT Si3 TPIS 1 Si(L) Silico OMIT Si2 TPIS 1 SiO Hf0,Pr NAME FF 220 0.0 .0 T 377. 427. 477. 527. 577. 627. 677. 727. 777. 827. 877. 977.1077.1177.1277.1377.1477.1577. 1677. 1. STOP DATE = 03/31/2006 TIME = 21:15:43:734 Input File : New_Thermo.inp Output File : New_Thermo.out Thermo File : thermodat_new REAC SI 1.0000 0.0000 0.0000 0.0000 0.0000 1.0000 1.0000 0.0000 O 2.0010 0.0000 0.0000 0.0000 0.0000 1.0000 1.0000 0.0000 OMIT Si Hf:COD O D0(O2) OMIT O3 TPIS 1 Si(cr) Silico OMIT Si3 TPIS 1 Si(L) Silico OMIT Si2 TPIS 1 SiO Hf0,Pr NAME CASE NUMBER 220 RSIZE = 0.000 TRI = 0.0 TEMP = F GAS = T NEW THERMO = T T = 377. 427. 477. 527. 577. 627. 677. 727. 777. 827. 877. 977. 1077. 1177. 1277. 1377. 1477. 1577. 1677. P = 1. SPECIES BEING CONSIDERED IN THIS SYSTEM tpis89 O2 TPIS 1 tpis91 SiO2 TPIS 1 tpis91 SiO2(a-qz) Hexago tpis91 SiO2(b-qz) Hexago tpis91 SiO2(b-crt) Cubic tpis91 SiO2(L) Liquid THERMODYNAMIC EQUILIBRIUM PROPERTIES AT ASSIGNED TEMPERATURE AND PRESSURE CASE NO. 220 INPUT COMPOSITION MOLES SI 1.0000 0.0000 0.0000 0.0000 0.0000 1.000 O 2.0010 0.0000 0.0000 0.0000 0.0000 1.000 THERMODYNAMIC PROPERTIES P,BARS 1. 1. 1. 1. 1. 1. T, DEG. C 377. 427. 477. 527. 577. 627. TOT. DELTA G -179.844 -169.339 -160.627 -153.420 -136.442 -129.578 MOLE FRACTIONS(TOTAL) O2 TPIS 1 0.00050 0.00050 0.00050 0.00050 0.00050 0.00050 SiO2(a-qz) Hexago 0.99950 0.99950 0.99950 0.99950 0.00000 0.00000 SiO2(b-qz) Hexago 0.00000 0.00000 0.00000 0.00000 0.99950 0.99950 MOLE FRACTIONS(GASES) O2 TPIS 1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 OXYGEN FUGACITY CALCULATIONS: FO2 = XO2*FGO2 0.000 0.000 0.000 0.000 0.000 0.000 FO2 = CO/CO2 -36.636 -33.281 -30.354 -27.798 -25.560 -23.595 FO2 = H2/H2O -34.147 -31.253 -28.726 -26.517 -24.580 -22.875 QFI FO2 -37.683 -34.455 -31.658 -29.211 -27.051 -25.131 THERMODYNAMIC PROPERTIES P,BARS 1. 1. 1. 1. 1. 1. T, DEG. C 677. 727. 777. 827. 877. 977. TOT. DELTA G -123.460 -123.460 -123.460 -123.460 -123.460 -97.380 MOLE FRACTIONS(TOTAL) O2 TPIS 1 0.00050 0.00050 0.00050 0.00050 0.00050 0.00050 SiO2(b-qz) Hexago 0.99950 0.99950 0.99950 0.99950 0.99950 0.00000 SiO2(b-crt) Cubic 0.00000 0.00000 0.00000 0.00000 0.00000 0.99950 MOLE FRACTIONS(GASES) O2 TPIS 1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 OXYGEN FUGACITY CALCULATIONS: FO2 = XO2*FGO2 0.000 0.000 0.000 0.000 0.000 0.000 FO2 = CO/CO2 -21.862 -20.323 -18.949 -17.711 -16.586 -14.606 FO2 = H2/H2O -21.367 -20.024 -18.821 -17.732 -16.740 -14.984 QFI FO2 -23.414 -21.868 -20.469 -19.197 -18.036 -15.993 THERMODYNAMIC PROPERTIES P,BARS 1. 1. 1. 1. 1. 1. T, DEG. C 1077. 1177. 1277. 1377. 1477. 1577. TOT. DELTA G -91.383 -86.258 -81.832 -77.978 -74.594 -71.604 MOLE FRACTIONS(TOTAL) O2 TPIS 1 0.00050 0.00050 0.00050 0.00050 0.00050 0.00050 SiO2(b-crt) Cubic 0.99950 0.99950 0.99950 0.99950 0.99950 0.99950 MOLE FRACTIONS(GASES) O2 TPIS 1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 LOG(10) (MOLE FRACTION) SiO2 TPIS 1 0.000 0.000 0.000 0.000 0.000 -7.345 OXYGEN FUGACITY CALCULATIONS: FO2 = XO2*FGO2 0.000 0.000 0.000 0.000 0.000 0.000 FO2 = CO/CO2 -12.894 -11.382 -10.035 -8.838 -7.790 -6.886 FO2 = H2/H2O -13.459 -12.108 -10.905 -9.836 -8.899 -8.088 QFI FO2 -14.252 -12.751 -11.444 -10.296 -9.278 -8.371 THERMODYNAMIC PROPERTIES P,BARS 1. T, DEG. C 1677. TOT. DELTA G -68.945 MOLE FRACTIONS(TOTAL) O2 TPIS 1 0.00050 SiO2(b-crt) Cubic 0.99950 MOLE FRACTIONS(GASES) O2 TPIS 1 1.00000 LOG(10) (MOLE FRACTION) SiO2 TPIS 1 -6.523 OXYGEN FUGACITY CALCULATIONS: FO2 = XO2*FGO2 0.000 FO2 = CO/CO2 -6.115 FO2 = H2/H2O -7.391 QFI FO2 -7.557 DATE = 03/31/2006 TIME = 21:15:48:828