UNIT 3 (THERMO DATA) IS ASSIGNED TO: DEC06.DAT UNIT 4 (AQUEOUS DATA) IS ASSIGNED TO: hkf81.aqu UNIT 5 (INTER. INPUT) IS ASSIGNED TO: CON: UNIT 6 (INTER. OUTPUT) IS ASSIGNED TO: CON: UNIT 7 (MASTER OUTPUT) IS ASSIGNED TO: SUMMARY.DAT UNIT 8 (PLOT DATA) IS ASSIGNED TO: PLOT.plt UNIT 10 (RESTART FILE) IS ASSIGNED TO: RESTART.RES PHASE DIAGRAM: TEMPERATURE-MOLE FRACTION (CO2) FROM A MINIMUM TEMPERATURE OF 350.0 DEG C TO A MAXIMUM TEMPERATURE OF 600.0 DEG C FROM A MINIMUM X(CO2) OF 0.0 TO A MAXIMUM X(CO2) OF 1.0 HAAR EQUATION OF STATE USED FOR WATER MADER AND BERMAN (91) USED FOR CO2 MOLE FRACTIONS OF H2O-CO2 FLUID: 0.500 0.500 THE DIAGRAM WILL BE CALCULATED AS A PROJECTION FROM THE FOLLOWING PHASES: CARBON DIOXIDE WATER 1 ********************************** *SUMMARY OF THE SYSTEM PROPERTIES* ********************************** There are 5 elements in the system. Their weights and symbols are: 15.99940 O 1.00797 H 40.08000 CA 28.08600 SI 12.01115 C The compositions of the SOLID PHASES are: CALCITE 3.00 0.00 1.00 0.00 1.00 A-QUARTZ 2.00 0.00 0.00 1.00 0.00 WOLLASTONITE 3.00 0.00 1.00 1.00 0.00 CARBON DIOXIDE 2.00 0.00 0.00 0.00 1.00 WATER 1.00 2.00 0.00 0.00 0.00 The properties of the SOLID PHASES are ************************************** STANDARD STATE PROPERTIES ENTHALPY (J) ENTROPY (J) VOLUME (J/BAR) LOG ACTIVITY CALCITE (Cc ) -1206819.0000 91.72500 3.6890 0.00000000 A-QUARTZ (aQz ) -910700.0000 41.46000 2.2690 0.00000000 WOLLASTONITE (Wo ) -1631500.0000 81.81000 3.9830 0.00000000 HEAT CAPACITY TERMS K0 K1 (T**-.5) K2 (T**-2) K3 (T**-3) K4 (T**-1) K5 (T) K6 (T**2) CALCITE 178.18748 -1657.6970 -482722.0 166604928.0 0.000000000 0.000000000 0.000000000 A-QUARTZ 80.01199 -240.2760 -3546684.0 491568384.0 0.000000000 0.000000000 0.000000000 WOLLASTONITE 149.07266 -690.2950 -3659348.0 484349440.0 0.000000000 0.000000000 0.000000000 VOLUME EXPANSION/CONTRACTION TERMS V1(T) V2(T) V3(P) V4(P) V5 V6 CALCITE 0.32857E-04 0.83889E-07 -0.51653E-05 0.00000E+00 0.00000E+00 0.00000E+00 A-QUARTZ 0.54217E-04 0.00000E+00 -0.55226E-05 0.23002E-10 0.00000E+00 0.00000E+00 WOLLASTONITE 0.11224E-03 0.00000E+00 -0.49585E-05 0.12400E-10 0.00000E+00 0.00000E+00 TRANSITION PROPERTIES T TRAN T REF A SPIKE B SPIKE H TRANS SLOPE VOL TRANS DV/DT DV/DP A-QUARTZ 848.0 373.0 -0.91870E-01 0.24607E-03 0.00000E+00 0.23743E-01 0.00000E+00 0.00000E+00 0.00000E+00 The properties of the GASES are ******************************* STANDARD STATE PROPERTIES ENTHALPY (J) ENTROPY (J) LOG ACTIVITY CARBON DIOXIDE (CO2 ) -393510.0000 213.67700 0.00000000 WATER (H2O ) 0.0000 0.00000 0.00000000 HEAT CAPACITY TERMS K0 K1 (T**-.5) K2 (T**-2) K3 (T**-3) K4 (T**-1) K5 (T) K6 (T**2) CARBON DIOXIDE 81.61970 -710.4770 972938.0 0.0 -4103.830000 -.1761000000E-02 0.000000000 WATER 0.00000 0.0000 0.0 0.0 0.000000000 0.000000000 0.000000000 WATER - VOLUMETRIC PROPERTIES CALCULATED USING HAAR EQUATION OF STATE SOLID SOLUTION PARAMETERS (Joules): a+bT+c(P-1) a b c log10(fixed act) CALCITE 0.00000000000000 A-QUARTZ 0.00000000000000 WOLLASTONITE 0.00000000000000 CARBON DIOXIDE 0.00000000000000 WATER 0.00000000000000 500 bar 1 REACTION: WOLLASTONITE + CARBON DIOXIDE = A-QUARTZ + CALCITE DELTA REACTION PROPERTIES ========================= H (J/M) = -92509.00000 S (J/M) = -162.3020000 V (J/BAR) = 1.975000000 K0 (J/DEG/M) = 27.50711000 K1 (J/DEG**2/M) = -497.2010000 K2 (J DEG /M) = -1342996.000 K3 (J/DEG**.5/M) = 173823872.0 K4 (J/DEG**3/M) = 4103.830000 K5 (J/M) = 0.1761000000E-02 K6 (J DEG**2/M) = 0.000000000 ***************************************************************************************************************************** T(C) X(H2O-CO2) 590.54 1.00000 504.36 0.25133 453.85 0.06625 579.47 0.85999 501.06 0.23533 445.38 0.04518 572.24 0.77666 500.21 0.23133 441.14 0.03670 564.42 0.69333 500.00 0.23033 436.91 0.02985 555.87 0.60999 499.79 0.22933 428.43 0.02020 546.42 0.52666 498.93 0.22533 419.96 0.01405 541.28 0.48499 495.38 0.20933 411.49 0.00995 535.81 0.44333 487.75 0.17733 403.01 0.00711 526.64 0.37933 479.27 0.14533 386.07 0.00365 516.29 0.31533 470.80 0.11652 369.12 0.00184 510.55 0.28333 462.33 0.09031 350.00 0.00080 ***************************************************************************************************************************** META-STABLE PORTIONS OF CURVES ARE NOT PRINTED THIS CURVE IS NUMBER 1