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skdef3.tab
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skdef3.tab
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***** SUPCRT92: input/output specifications for this run
USER-SPECIFIED CON FILE containing
T-P-D grid & option switches: file not saved
USER-SPECIFIED RXN FILE containing
chemical reactions: skarn.rxn
THERMODYNAMIC DATABASE: dprons92.dat
SUPCRT-GENERATED TAB FILE containing
tabulated reaction properties (this file): skdef3.tab
SUPCRT-GENERATED PLT FILES containing
reaction properties for x-y plots: skdef3.kxy etc.
***** summary of option switches
isat, iopt, iplot, univar, noninc: 0 2 2 0 8
***** summary of state conditions
nonincremental TEMP(degC), PRES(bars) coordinates: 8 pair
************************************ REACTION 1 ************************************
REACTION TITLE:
skarn reaction
REACTION STOICHIOMETRY:
COEFF. NAME FORMULA
------- -------------------- --------------------
-1.000 ANDRADITE Ca3Fe2Si3O12
-3.000 CARBON-DIOXIDE CO2,g
-4.000 H2S,aq H2S(0)
-2.000 Cu+ Cu(+)
3.000 QUARTZ SiO2
3.000 CALCITE CaCO3
2.000 CHALCOPYRITE CuFeS2
2.000 H+ H(+)
3.000 H2O H2O
STANDARD STATE PROPERTIES OF THE SPECIES AT 25 DEG C AND 1 BAR
...... MINERALS ......
DELTA G DELTA H S V Cp
NAME (cal/mol) (cal/mol) (cal/mol/K) (cc/mol) (cal/mol/K)
-------------------- ------------- ------------- ------------- ------------- -------------
ANDRADITE -1296819. -1380345. 70.130 131.850 83.4
QUARTZ -204646. -217650. 9.880 22.688 10.6
CALCITE -269880. -288552. 22.150 36.934 19.6
CHALCOPYRITE -44900. -44453. 31.150 42.830 23.1
MAIER-KELLY COEFFICIENTS PHASE TRANSITION DATA
NAME a(10**0) b(10**3) c(10**-5) T limit (C) Htr (cal/mol) Vtr (cc/mol) dPdTtr (bar/K)
-------------------- ---------- ---------- ---------- ----------- ------------- -------------- --------------
ANDRADITE 113.532 15.636 -30.889 826.85
QUARTZ 11.220 8.200 -2.700 574.85 290. 0.372 38.500
post-transition 1 14.410 1.940 0.000 1726.85
CALCITE 24.980 5.240 -6.200 926.85
CHALCOPYRITE 20.790 12.800 -1.340 556.85 2405.
post-transition 1 -141.400 210.000 0.000 656.85 0.
post-transition 2 41.220 0.000 0.000 926.85
...... GASES ......
DELTA G DELTA H S V Cp
NAME (cal/mol) (cal/mol) (cal/mol/K) (cc/mol) (cal/mol/K)
-------------------- ------------- ------------- ------------- ------------- -------------
CO2,g -94254. -94051. 51.085 0. 8.9
MAIER-KELLY COEFFICIENTS
NAME a(10**0) b(10**3) c(10**-5) T limit (C)
-------------------- ---------- ---------- ---------- ----------
CO2,g 10.570 2.100 -2.060 2226.85
...... AQUEOUS SPECIES ......
DELTA G DELTA H S V Cp
NAME (cal/mol) (cal/mol) (cal/mol/K) (cc/mol) (cal/mol/K)
-------------------- ------------- ------------- ------------- ------------- -------------
H2S,aq -6673. -9001. 30.000 35.0 42.8
Cu+ 11950. 17132. 9.700 -8.1 13.7
H+ 0. 0. 0.000 0.0 0.0
H2O -56688. -68317. 16.712 18.1 18.0
EQUATION-OF-STATE COEFFICIENTS
NAME a1(10**1) a2(10**-2) a3(10**0) a4(10**-4) c1(10**0) c2(10**-4) omega(10**-5)
-------------------- ------------ ------------ ------------ ------------ ------------ ------------ -------------
H2S,aq 6.5097 6.7724 5.9646 -3.0590 32.3000 4.7300 -0.1000
Cu+ 0.7835 -5.8682 8.0565 -2.5364 17.2831 -0.2439 0.3351
H+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
STANDARD STATE PROPERTIES OF THE REACTION AT 25 DEG C AND 1 BAR
DELTA G DELTA H DELTA S DELTA V DELTA Cp
TEMP(degC) PRES(bars) DH2O(g/cc) LOG K (cal) (cal) (cal/K) (cc) (cal/K)
---------- ---------- ---------- ---------- ---------- ---------- ---------- ---------- ----------
25.000 1.000 0.997 74.084 -101068. -148224. -154.3 63.3 -118.0
STANDARD STATE PROPERTIES OF THE REACTION AT ELEVATED TEMPERATURES AND PRESSURES
DELTA G DELTA H DELTA S DELTA V DELTA Cp
TEMP(degC) PRES(bars) DH2O(g/cc) LOG K (cal) (cal) (cal/K) (cc) (cal/K)
---------- ---------- ---------- ---------- ---------- ---------- ---------- ---------- ----------
0.010 1.013 1.000 83.833 -104783. -144767. -142.1 71.8 -169.5
25.000 1.013 0.997 74.084 -101068. -148224. -154.3 63.3 -118.0
60.000 1.013 0.983 62.617 -95453. -151918. -166.0 59.1 -97.0
100.000 1.013 0.958 51.890 -88598. -155584. -176.4 58.1 -87.4
150.000 4.757 0.917 41.060 -79501. -159751. -186.9 59.7 -79.9
200.000 15.537 0.865 32.295 -69918. -163601. -195.5 63.4 -74.1
250.000 39.736 0.799 25.031 -59918. -167123. -202.7 69.4 -67.9
300.000 85.838 0.712 18.886 -49530. -171153. -210.2 71.6 -125.1