diff --git a/ex1.out b/ex1.out index 4668ad8d..b2866dbf 100644 --- a/ex1.out +++ b/ex1.out @@ -282,7 +282,7 @@ U(6) 1.437e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.93 -5.20 -4.28 CaSO4 Aragonite 0.61 -7.73 -8.34 CaCO3 @@ -316,6 +316,8 @@ U(6) 1.437e-08 Talc 6.03 27.43 21.40 Mg3Si4O10(OH)2 Uraninite -12.65 -16.14 -3.49 UO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. diff --git a/ex10.out b/ex10.out index 94e9f208..ec14b030 100644 --- a/ex10.out +++ b/ex10.out @@ -162,7 +162,7 @@ O(0) 1.243e-38 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite 1.17 -7.17 -8.34 CaCO3 Calcite 1.31 -7.17 -8.48 CaCO3 @@ -172,6 +172,8 @@ O(0) 1.243e-38 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -35.31 -38.21 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -244,7 +246,7 @@ O(0) 1.485e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite 0.00 -8.34 -8.34 CaCO3 Calcite 0.14 -8.34 -8.48 CaCO3 @@ -254,6 +256,8 @@ O(0) 1.485e-14 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -11.23 -14.13 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -8412,7 +8416,7 @@ XSr: 9.5754e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 ------------------------------- -End of Run after 0.42 Seconds. ------------------------------- +----------------------------- +End of Run after 0.4 Seconds. +----------------------------- diff --git a/ex11.out b/ex11.out index 5d6d06c6..e982cdc6 100644 --- a/ex11.out +++ b/ex11.out @@ -95,12 +95,14 @@ O(0) 5.351e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.30 -44.40 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 1. Initial solution for column @@ -154,12 +156,14 @@ O(0) 5.351e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.30 -44.40 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -208,6 +212,6 @@ Reading input data for simulation 3. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40. ------------------------------ -End of Run after 3.95 Seconds. +End of Run after 3.96 Seconds. ------------------------------ diff --git a/ex12.out b/ex12.out index bc6885ce..62f3575c 100644 --- a/ex12.out +++ b/ex12.out @@ -53,6 +53,6 @@ Reading input data for simulation 1. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60. ------------------------------ -End of Run after 1.43 Seconds. +End of Run after 1.42 Seconds. ------------------------------ diff --git a/ex13a.out b/ex13a.out index f5892c06..65961f04 100644 --- a/ex13a.out +++ b/ex13a.out @@ -92,13 +92,15 @@ O(0) 5.110e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.61 -6.04 1.57 NaCl O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -174,12 +176,14 @@ O(0) 5.111e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------------------------------------------- Beginning of initial exchange-composition calculations. @@ -266,7 +270,7 @@ O(0) 5.111e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -274,6 +278,8 @@ O(0) 5.111e-04 NH3(g) -66.95 -65.16 1.80 NH3 O2(g) -0.70 -3.59 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -330,7 +336,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. 20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000 -end END ------------------------------ -End of Run after 0.2 Seconds. ------------------------------ +------------------------------ +End of Run after 0.19 Seconds. +------------------------------ diff --git a/ex13ac.out b/ex13ac.out index 54271f0f..1d3539fe 100644 --- a/ex13ac.out +++ b/ex13ac.out @@ -92,13 +92,15 @@ O(0) 5.110e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.61 -6.04 1.57 NaCl O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -174,12 +176,14 @@ O(0) 5.111e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------------------------------------------- Beginning of initial exchange-composition calculations. @@ -266,7 +270,7 @@ O(0) 5.111e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -274,6 +278,8 @@ O(0) 5.111e-04 NH3(g) -66.95 -65.16 1.80 NH3 O2(g) -0.70 -3.59 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. diff --git a/ex13b.out b/ex13b.out index 6cb2ca06..372b04d0 100644 --- a/ex13b.out +++ b/ex13b.out @@ -92,13 +92,15 @@ O(0) 5.110e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.61 -6.04 1.57 NaCl O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -174,12 +176,14 @@ O(0) 5.111e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------------------------------------------- Beginning of initial exchange-composition calculations. @@ -266,7 +270,7 @@ O(0) 5.111e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -274,6 +278,8 @@ O(0) 5.111e-04 NH3(g) -66.95 -65.16 1.80 NH3 O2(g) -0.70 -3.59 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -450,7 +456,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. 20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000 -end END ------------------------------ -End of Run after 0.2 Seconds. ------------------------------ +------------------------------ +End of Run after 0.19 Seconds. +------------------------------ diff --git a/ex13c.out b/ex13c.out index 9c2c4512..7379e1da 100644 --- a/ex13c.out +++ b/ex13c.out @@ -92,13 +92,15 @@ O(0) 5.110e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.61 -6.04 1.57 NaCl O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -174,12 +176,14 @@ O(0) 5.111e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------------------------------------------- Beginning of initial exchange-composition calculations. @@ -266,7 +270,7 @@ O(0) 5.111e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -274,6 +278,8 @@ O(0) 5.111e-04 NH3(g) -66.95 -65.16 1.80 NH3 O2(g) -0.70 -3.59 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -771,6 +777,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. -end END ------------------------------ -End of Run after 0.39 Seconds. +End of Run after 0.38 Seconds. ------------------------------ diff --git a/ex14.out b/ex14.out index cf523114..582d0b8f 100644 --- a/ex14.out +++ b/ex14.out @@ -166,7 +166,7 @@ S(6) 4.725e-03 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.40 -4.68 -4.28 CaSO4 Aragonite -0.32 -8.66 -8.34 CaCO3 @@ -182,6 +182,8 @@ S(6) 4.725e-03 O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 Sulfur -103.87 -98.99 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -316,7 +318,7 @@ S(6) 4.725e-03 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.40 -4.68 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -332,6 +334,8 @@ S(6) 4.725e-03 O2(g) -0.70 -3.59 -2.89 O2 Sulfur -104.22 -99.33 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -513,7 +517,7 @@ S(6) 2.351e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -3.22 -7.50 -4.28 CaSO4 Aragonite -7.91 -16.24 -8.34 CaCO3 @@ -529,6 +533,8 @@ S(6) 2.351e-04 O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 Sulfur -100.93 -96.05 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -637,7 +643,7 @@ S(6) 2.351e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -2.56 -6.83 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -653,6 +659,8 @@ S(6) 2.351e-04 O2(g) -0.70 -3.59 -2.89 O2 Sulfur -106.02 -101.14 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1029,7 +1037,7 @@ S(6) 2.351e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -2.56 -6.84 -4.28 CaSO4 Aragonite -0.15 -8.48 -8.34 CaCO3 @@ -1045,6 +1053,8 @@ S(6) 2.351e-04 O2(g) -0.70 -3.59 -2.89 O2 Sulfur -106.02 -101.14 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1055,6 +1065,6 @@ Reading input data for simulation 6. ------------------------------------ ------------------------------ -End of Run after 0.23 Seconds. +End of Run after 0.24 Seconds. ------------------------------ diff --git a/ex15.out b/ex15.out index ee0c5648..62582934 100644 --- a/ex15.out +++ b/ex15.out @@ -213,6 +213,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. shifts 110 END ------------------------------- -End of Run after 11.32 Seconds. +End of Run after 11.36 Seconds. ------------------------------- diff --git a/ex15a.out b/ex15a.out index 9ef3e567..bfedf0bf 100644 --- a/ex15a.out +++ b/ex15a.out @@ -190,6 +190,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. shifts 110 END ------------------------------- -End of Run after 11.37 Seconds. +End of Run after 11.39 Seconds. ------------------------------- diff --git a/ex15b.out b/ex15b.out index c9083e72..b90409ab 100644 --- a/ex15b.out +++ b/ex15b.out @@ -187,6 +187,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. shifts 110 END ------------------------------- -End of Run after 11.33 Seconds. +End of Run after 11.41 Seconds. ------------------------------- diff --git a/ex16.out b/ex16.out index f10fc308..4601a7db 100644 --- a/ex16.out +++ b/ex16.out @@ -154,7 +154,7 @@ Si 2.730e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -4.93 -9.20 -4.28 CaSO4 Aragonite -3.44 -11.78 -8.34 CaCO3 @@ -175,6 +175,8 @@ Si 2.730e-04 Sylvite -10.33 -9.43 0.90 KCl Talc -12.20 9.20 21.40 Mg3Si4O10(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 2. @@ -271,7 +273,7 @@ Si 4.100e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -4.07 -8.35 -4.28 CaSO4 Aragonite -1.92 -10.26 -8.34 CaCO3 @@ -292,6 +294,8 @@ Si 4.100e-04 Sylvite -9.86 -8.96 0.90 KCl Talc -6.82 14.58 21.40 Mg3Si4O10(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm --------------------------------------------- Beginning of inverse modeling 1 calculations. @@ -438,6 +442,6 @@ Reading input data for simulation 2. ------------------------------------ ------------------------------ -End of Run after 0.04 Seconds. +End of Run after 0.03 Seconds. ------------------------------ diff --git a/ex17.out b/ex17.out index 328dd026..62714e0e 100644 --- a/ex17.out +++ b/ex17.out @@ -142,7 +142,7 @@ S(6) 1.527e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -1.28 -5.50 -4.22 CaSO4 Aragonite -0.26 -8.48 -8.22 CaCO3 @@ -185,6 +185,8 @@ S(6) 1.527e-02 Thenardite -3.79 -4.14 -0.35 Na2SO4 Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 2. Composition during halite precipitation @@ -254,7 +256,7 @@ S(6) 8.986e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Arcanite -1.50 -3.28 -1.78 K2SO4 Bischofite -2.44 2.02 4.46 MgCl2:6H2O @@ -285,6 +287,8 @@ S(6) 8.986e-01 Thenardite -0.41 -0.76 -0.35 Na2SO4 Trona -14.75 -26.14 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm --------------------------------------------- Beginning of inverse modeling 1 calculations. @@ -356,6 +360,6 @@ Reading input data for simulation 2. ------------------------------------ ------------------------------ -End of Run after 0.04 Seconds. +End of Run after 0.03 Seconds. ------------------------------ diff --git a/ex17b.out b/ex17b.out index c5605594..0b6ab49b 100644 --- a/ex17b.out +++ b/ex17b.out @@ -144,7 +144,7 @@ S(6) 1.527e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -1.28 -5.50 -4.22 CaSO4 Aragonite -0.26 -8.48 -8.22 CaCO3 @@ -187,6 +187,8 @@ S(6) 1.527e-02 Thenardite -3.79 -4.14 -0.35 Na2SO4 Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -299,7 +301,7 @@ S(6) 1.527e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -1.28 -5.50 -4.22 CaSO4 Aragonite -0.26 -8.48 -8.22 CaCO3 @@ -342,6 +344,8 @@ S(6) 1.527e-02 Thenardite -3.79 -4.14 -0.35 Na2SO4 Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -450,7 +454,7 @@ S(6) 4.345e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.78 -5.00 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -493,6 +497,8 @@ S(6) 4.345e-02 Thenardite -2.79 -3.14 -0.35 Na2SO4 Trona -9.29 -20.67 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -601,7 +607,7 @@ S(6) 5.466e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.66 -4.88 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -644,6 +650,8 @@ S(6) 5.466e-02 Thenardite -2.57 -2.92 -0.35 Na2SO4 Trona -9.15 -20.53 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -752,7 +760,7 @@ S(6) 7.366e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.49 -4.71 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -795,6 +803,8 @@ S(6) 7.366e-02 Thenardite -2.29 -2.64 -0.35 Na2SO4 Trona -8.98 -20.37 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -903,7 +913,7 @@ S(6) 1.071e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.29 -4.51 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -946,6 +956,8 @@ S(6) 1.071e-01 Thenardite -1.87 -2.22 -0.35 Na2SO4 Trona -8.70 -20.08 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -1054,7 +1066,7 @@ S(6) 1.166e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.27 -4.50 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -1097,6 +1109,8 @@ S(6) 1.166e-01 Thenardite -1.74 -2.09 -0.35 Na2SO4 Trona -8.53 -19.92 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -1205,7 +1219,7 @@ S(6) 1.291e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.25 -4.48 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -1248,6 +1262,8 @@ S(6) 1.291e-01 Thenardite -1.57 -1.92 -0.35 Na2SO4 Trona -8.33 -19.72 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -1356,7 +1372,7 @@ S(6) 1.466e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.23 -4.45 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -1399,6 +1415,8 @@ S(6) 1.466e-01 Thenardite -1.35 -1.70 -0.35 Na2SO4 Trona -8.08 -19.46 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -1507,7 +1525,7 @@ S(6) 1.743e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.17 -4.40 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -1550,6 +1568,8 @@ S(6) 1.743e-01 Thenardite -1.02 -1.37 -0.35 Na2SO4 Trona -7.73 -19.12 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -1658,7 +1678,7 @@ S(6) 2.289e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.09 -4.32 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -1701,6 +1721,8 @@ S(6) 2.289e-01 Thenardite -0.60 -0.95 -0.35 Na2SO4 Trona -7.31 -18.69 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -1809,7 +1831,7 @@ S(6) 2.948e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.08 -4.31 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -1852,6 +1874,8 @@ S(6) 2.948e-01 Thenardite -0.59 -0.94 -0.35 Na2SO4 Trona -7.33 -18.71 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -1960,7 +1984,7 @@ S(6) 3.282e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.08 -4.30 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -2003,6 +2027,8 @@ S(6) 3.282e-01 Thenardite -0.59 -0.94 -0.35 Na2SO4 Trona -7.36 -18.74 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 13. @@ -2111,7 +2137,7 @@ S(6) 3.869e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.07 -4.29 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -2154,6 +2180,8 @@ S(6) 3.869e-01 Thenardite -0.60 -0.95 -0.35 Na2SO4 Trona -7.41 -18.79 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 14. @@ -2262,7 +2290,7 @@ S(6) 4.638e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.05 -4.28 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -2305,6 +2333,8 @@ S(6) 4.638e-01 Thenardite -0.62 -0.97 -0.35 Na2SO4 Trona -7.47 -18.85 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 15. @@ -2413,7 +2443,7 @@ S(6) 4.965e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.05 -4.27 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -2456,6 +2486,8 @@ S(6) 4.965e-01 Thenardite -0.62 -0.97 -0.35 Na2SO4 Trona -7.49 -18.88 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 16. @@ -2564,7 +2596,7 @@ S(6) 5.312e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.04 -4.26 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -2607,6 +2639,8 @@ S(6) 5.312e-01 Thenardite -0.63 -0.98 -0.35 Na2SO4 Trona -7.52 -18.90 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 17. @@ -2715,7 +2749,7 @@ S(6) 5.641e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.03 -4.26 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -2758,6 +2792,8 @@ S(6) 5.641e-01 Thenardite -0.64 -0.99 -0.35 Na2SO4 Trona -7.54 -18.92 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 18. @@ -2866,7 +2902,7 @@ S(6) 6.065e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.03 -4.25 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -2909,6 +2945,8 @@ S(6) 6.065e-01 Thenardite -0.64 -0.99 -0.35 Na2SO4 Trona -7.57 -18.95 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 19. @@ -3017,7 +3055,7 @@ S(6) 6.383e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.02 -4.25 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -3060,6 +3098,8 @@ S(6) 6.383e-01 Thenardite -0.65 -1.00 -0.35 Na2SO4 Trona -7.59 -18.97 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 20. @@ -3168,7 +3208,7 @@ S(6) 6.763e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.02 -4.24 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -3211,6 +3251,8 @@ S(6) 6.763e-01 Thenardite -0.65 -1.00 -0.35 Na2SO4 Trona -7.61 -19.00 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 21. @@ -3319,7 +3361,7 @@ S(6) 7.101e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.01 -4.23 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -3362,6 +3404,8 @@ S(6) 7.101e-01 Thenardite -0.67 -1.02 -0.35 Na2SO4 Trona -7.66 -19.04 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 22. @@ -3476,7 +3520,7 @@ S(6) 7.195e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite 0.00 -4.22 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -3519,6 +3563,8 @@ S(6) 7.195e-01 Thenardite -0.71 -1.06 -0.35 Na2SO4 Trona -7.75 -19.13 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 23. @@ -3627,7 +3673,7 @@ S(6) 7.346e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite 0.00 -4.22 -4.22 CaSO4 Aragonite -0.19 -8.41 -8.22 CaCO3 @@ -3670,6 +3716,8 @@ S(6) 7.346e-01 Thenardite -0.76 -1.11 -0.35 Na2SO4 Trona -7.83 -19.22 -11.38 Na3H(CO3)2:2H2O +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. diff --git a/ex18.out b/ex18.out index 96679851..96cc893a 100644 --- a/ex18.out +++ b/ex18.out @@ -204,7 +204,7 @@ S(6) 1.600e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(283 K, 1 atm) + Phase SI** log IAP log K(283 K, 1 atm) Anhydrite -2.97 -7.09 -4.12 CaSO4 Aragonite -0.20 -8.46 -8.25 CaCO3 @@ -221,6 +221,8 @@ S(6) 1.600e-04 Siderite -0.86 -11.66 -10.79 FeCO3 Sylvite -9.47 -9.47 0.00 KCl +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 2. Mysse @@ -343,7 +345,7 @@ S(6) 1.986e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(336 K, 1 atm) + Phase SI** log IAP log K(336 K, 1 atm) Anhydrite -0.07 -4.82 -4.75 CaSO4 Aragonite 0.20 -8.47 -8.67 CaCO3 @@ -365,6 +367,8 @@ S(6) 1.986e-02 Sulfur -2.12 1.98 4.09 S Sylvite -4.59 -4.59 0.00 KCl +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm --------------------------------------------- Beginning of inverse modeling 1 calculations. @@ -555,6 +559,6 @@ Reading input data for simulation 2. ------------------------------------ ------------------------------ -End of Run after 0.08 Seconds. +End of Run after 0.07 Seconds. ------------------------------ diff --git a/ex19.out b/ex19.out index fa1d2877..f5aa68b4 100644 --- a/ex19.out +++ b/ex19.out @@ -69,6 +69,6 @@ Reading input data for simulation 1. PRINT reset false ------------------------------ -End of Run after 0.03 Seconds. +End of Run after 0.02 Seconds. ------------------------------ diff --git a/ex19b.out b/ex19b.out index 6d880804..0b5932f4 100644 --- a/ex19b.out +++ b/ex19b.out @@ -23,6 +23,6 @@ Reading input data for simulation 1. PRINT reset false ------------------------------ -End of Run after 0.13 Seconds. +End of Run after 0.12 Seconds. ------------------------------ diff --git a/ex2.out b/ex2.out index bbd55bc7..1b1c5027 100644 --- a/ex2.out +++ b/ex2.out @@ -99,12 +99,14 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 0.00 1.50 H2O O2(g) -39.19 -42.08 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -180,7 +182,7 @@ S(6) 1.508e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.30 -4.58 -4.28 CaSO4 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O @@ -190,6 +192,8 @@ S(6) 1.508e-02 O2(g) -11.95 -14.84 -2.89 O2 Sulfur -87.58 -82.70 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -261,7 +265,7 @@ S(6) 1.513e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(299 K, 1 atm) + Phase SI** log IAP log K(299 K, 1 atm) Anhydrite -0.29 -4.58 -4.29 CaSO4 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O @@ -271,6 +275,8 @@ S(6) 1.513e-02 O2(g) -11.94 -14.84 -2.90 O2 Sulfur -87.20 -82.34 4.86 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -342,7 +348,7 @@ S(6) 1.517e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(300 K, 1 atm) + Phase SI** log IAP log K(300 K, 1 atm) Anhydrite -0.28 -4.58 -4.30 CaSO4 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O @@ -352,6 +358,8 @@ S(6) 1.517e-02 O2(g) -11.93 -14.84 -2.91 O2 Sulfur -86.81 -81.98 4.84 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -423,7 +431,7 @@ S(6) 1.520e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(301 K, 1 atm) + Phase SI** log IAP log K(301 K, 1 atm) Anhydrite -0.27 -4.58 -4.31 CaSO4 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O @@ -433,6 +441,8 @@ S(6) 1.520e-02 O2(g) -11.93 -14.84 -2.91 O2 Sulfur -86.43 -81.62 4.81 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -504,7 +514,7 @@ S(6) 1.524e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(302 K, 1 atm) + Phase SI** log IAP log K(302 K, 1 atm) Anhydrite -0.26 -4.58 -4.32 CaSO4 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O @@ -514,6 +524,8 @@ S(6) 1.524e-02 O2(g) -11.92 -14.84 -2.92 O2 Sulfur -86.05 -81.26 4.79 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -585,7 +597,7 @@ S(6) 1.527e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(303 K, 1 atm) + Phase SI** log IAP log K(303 K, 1 atm) Anhydrite -0.25 -4.58 -4.33 CaSO4 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O @@ -595,6 +607,8 @@ S(6) 1.527e-02 O2(g) -11.91 -14.84 -2.93 O2 Sulfur -85.68 -80.91 4.77 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -666,7 +680,7 @@ S(6) 1.529e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(304 K, 1 atm) + Phase SI** log IAP log K(304 K, 1 atm) Anhydrite -0.24 -4.58 -4.35 CaSO4 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O @@ -676,6 +690,8 @@ S(6) 1.529e-02 O2(g) -11.90 -14.84 -2.93 O2 Sulfur -85.31 -80.56 4.74 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -747,7 +763,7 @@ S(6) 1.532e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(305 K, 1 atm) + Phase SI** log IAP log K(305 K, 1 atm) Anhydrite -0.23 -4.59 -4.36 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O @@ -757,6 +773,8 @@ S(6) 1.532e-02 O2(g) -11.90 -14.84 -2.94 O2 Sulfur -84.94 -80.21 4.72 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -828,7 +846,7 @@ S(6) 1.534e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(306 K, 1 atm) + Phase SI** log IAP log K(306 K, 1 atm) Anhydrite -0.22 -4.59 -4.37 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O @@ -838,6 +856,8 @@ S(6) 1.534e-02 O2(g) -11.89 -14.84 -2.95 O2 Sulfur -84.56 -79.86 4.70 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -909,7 +929,7 @@ S(6) 1.536e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(307 K, 1 atm) + Phase SI** log IAP log K(307 K, 1 atm) Anhydrite -0.21 -4.59 -4.38 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O @@ -919,6 +939,8 @@ S(6) 1.536e-02 O2(g) -11.89 -14.84 -2.95 O2 Sulfur -84.20 -79.52 4.68 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -990,7 +1012,7 @@ S(6) 1.537e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(308 K, 1 atm) + Phase SI** log IAP log K(308 K, 1 atm) Anhydrite -0.20 -4.59 -4.39 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O @@ -1000,6 +1022,8 @@ S(6) 1.537e-02 O2(g) -11.88 -14.84 -2.96 O2 Sulfur -83.84 -79.18 4.66 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -1071,7 +1095,7 @@ S(6) 1.538e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(309 K, 1 atm) + Phase SI** log IAP log K(309 K, 1 atm) Anhydrite -0.19 -4.59 -4.40 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O @@ -1081,6 +1105,8 @@ S(6) 1.538e-02 O2(g) -11.87 -14.84 -2.96 O2 Sulfur -83.48 -78.84 4.63 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 13. @@ -1152,7 +1178,7 @@ S(6) 1.539e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(310 K, 1 atm) + Phase SI** log IAP log K(310 K, 1 atm) Anhydrite -0.18 -4.59 -4.42 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O @@ -1162,6 +1188,8 @@ S(6) 1.539e-02 O2(g) -11.87 -14.84 -2.97 O2 Sulfur -83.11 -78.50 4.61 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 14. @@ -1233,7 +1261,7 @@ S(6) 1.540e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(311 K, 1 atm) + Phase SI** log IAP log K(311 K, 1 atm) Anhydrite -0.17 -4.59 -4.43 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O @@ -1243,6 +1271,8 @@ S(6) 1.540e-02 O2(g) -11.87 -14.84 -2.97 O2 Sulfur -82.75 -78.16 4.59 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 15. @@ -1314,7 +1344,7 @@ S(6) 1.540e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(312 K, 1 atm) + Phase SI** log IAP log K(312 K, 1 atm) Anhydrite -0.16 -4.60 -4.44 CaSO4 Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O @@ -1324,6 +1354,8 @@ S(6) 1.540e-02 O2(g) -11.73 -14.71 -2.98 O2 Sulfur -82.60 -78.03 4.57 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 16. @@ -1395,7 +1427,7 @@ S(6) 1.540e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(313 K, 1 atm) + Phase SI** log IAP log K(313 K, 1 atm) Anhydrite -0.15 -4.60 -4.45 CaSO4 Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O @@ -1405,6 +1437,8 @@ S(6) 1.540e-02 O2(g) -11.82 -14.81 -2.98 O2 Sulfur -82.09 -77.55 4.55 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 17. @@ -1476,7 +1510,7 @@ S(6) 1.540e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(314 K, 1 atm) + Phase SI** log IAP log K(314 K, 1 atm) Anhydrite -0.14 -4.60 -4.46 CaSO4 Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O @@ -1486,6 +1520,8 @@ S(6) 1.540e-02 O2(g) -11.85 -14.84 -2.99 O2 Sulfur -81.70 -77.17 4.53 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 18. @@ -1557,7 +1593,7 @@ S(6) 1.540e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(315 K, 1 atm) + Phase SI** log IAP log K(315 K, 1 atm) Anhydrite -0.13 -4.60 -4.48 CaSO4 Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O @@ -1567,6 +1603,8 @@ S(6) 1.540e-02 O2(g) -11.84 -14.84 -2.99 O2 Sulfur -81.35 -76.85 4.51 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 19. @@ -1638,7 +1676,7 @@ S(6) 1.539e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(316 K, 1 atm) + Phase SI** log IAP log K(316 K, 1 atm) Anhydrite -0.12 -4.60 -4.49 CaSO4 Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O @@ -1648,6 +1686,8 @@ S(6) 1.539e-02 O2(g) -11.84 -14.84 -3.00 O2 Sulfur -81.01 -76.52 4.49 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 20. @@ -1719,7 +1759,7 @@ S(6) 1.538e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(317 K, 1 atm) + Phase SI** log IAP log K(317 K, 1 atm) Anhydrite -0.11 -4.61 -4.50 CaSO4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O @@ -1729,6 +1769,8 @@ S(6) 1.538e-02 O2(g) -11.83 -14.84 -3.00 O2 Sulfur -80.66 -76.20 4.46 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 21. @@ -1800,7 +1842,7 @@ S(6) 1.537e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(318 K, 1 atm) + Phase SI** log IAP log K(318 K, 1 atm) Anhydrite -0.10 -4.61 -4.51 CaSO4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O @@ -1810,6 +1852,8 @@ S(6) 1.537e-02 O2(g) -11.83 -14.84 -3.01 O2 Sulfur -80.33 -75.88 4.44 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 22. @@ -1881,7 +1925,7 @@ S(6) 1.535e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(319 K, 1 atm) + Phase SI** log IAP log K(319 K, 1 atm) Anhydrite -0.09 -4.61 -4.53 CaSO4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O @@ -1891,6 +1935,8 @@ S(6) 1.535e-02 O2(g) -11.83 -14.84 -3.01 O2 Sulfur -79.98 -75.56 4.42 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 23. @@ -1962,7 +2008,7 @@ S(6) 1.533e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(320 K, 1 atm) + Phase SI** log IAP log K(320 K, 1 atm) Anhydrite -0.08 -4.61 -4.54 CaSO4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O @@ -1972,6 +2018,8 @@ S(6) 1.533e-02 O2(g) -11.70 -14.72 -3.02 O2 Sulfur -79.83 -75.43 4.40 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 24. @@ -2043,7 +2091,7 @@ S(6) 1.531e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(321 K, 1 atm) + Phase SI** log IAP log K(321 K, 1 atm) Anhydrite -0.07 -4.62 -4.55 CaSO4 Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O @@ -2053,6 +2101,8 @@ S(6) 1.531e-02 O2(g) -11.81 -14.84 -3.02 O2 Sulfur -79.32 -74.93 4.38 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 25. @@ -2124,7 +2174,7 @@ S(6) 1.529e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(322 K, 1 atm) + Phase SI** log IAP log K(322 K, 1 atm) Anhydrite -0.06 -4.62 -4.56 CaSO4 Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O @@ -2134,6 +2184,8 @@ S(6) 1.529e-02 O2(g) -11.81 -14.83 -3.03 O2 Sulfur -78.99 -74.62 4.36 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 26. @@ -2205,7 +2257,7 @@ S(6) 1.526e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 1 atm) + Phase SI** log IAP log K(323 K, 1 atm) Anhydrite -0.05 -4.62 -4.58 CaSO4 Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O @@ -2215,6 +2267,8 @@ S(6) 1.526e-02 O2(g) -11.81 -14.84 -3.03 O2 Sulfur -78.65 -74.31 4.34 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 27. @@ -2286,7 +2340,7 @@ S(6) 1.524e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(324 K, 1 atm) + Phase SI** log IAP log K(324 K, 1 atm) Anhydrite -0.04 -4.62 -4.59 CaSO4 Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O @@ -2296,6 +2350,8 @@ S(6) 1.524e-02 O2(g) -54.70 -57.73 -3.03 O2 Sulfur -13.98 -9.66 4.32 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 28. @@ -2367,7 +2423,7 @@ S(6) 1.521e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(325 K, 1 atm) + Phase SI** log IAP log K(325 K, 1 atm) Anhydrite -0.03 -4.63 -4.60 CaSO4 Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O @@ -2377,6 +2433,8 @@ S(6) 1.521e-02 O2(g) -11.80 -14.84 -3.04 O2 Sulfur -78.00 -73.69 4.30 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 29. @@ -2448,7 +2506,7 @@ S(6) 1.517e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(326 K, 1 atm) + Phase SI** log IAP log K(326 K, 1 atm) Anhydrite -0.02 -4.63 -4.61 CaSO4 Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O @@ -2458,6 +2516,8 @@ S(6) 1.517e-02 O2(g) -54.15 -57.19 -3.04 O2 Sulfur -14.15 -9.86 4.28 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 30. @@ -2529,7 +2589,7 @@ S(6) 1.514e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(327 K, 1 atm) + Phase SI** log IAP log K(327 K, 1 atm) Anhydrite -0.01 -4.63 -4.63 CaSO4 Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O @@ -2539,6 +2599,8 @@ S(6) 1.514e-02 O2(g) -53.88 -56.92 -3.05 O2 Sulfur -14.23 -9.96 4.26 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 31. @@ -2610,7 +2672,7 @@ S(6) 1.500e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(328 K, 1 atm) + Phase SI** log IAP log K(328 K, 1 atm) Anhydrite 0.00 -4.64 -4.64 CaSO4 Gypsum -0.00 -4.64 -4.64 CaSO4:2H2O @@ -2620,6 +2682,8 @@ S(6) 1.500e-02 O2(g) -11.83 -14.87 -3.05 O2 Sulfur -76.98 -72.74 4.25 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 32. @@ -2691,7 +2755,7 @@ S(6) 1.470e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(329 K, 1 atm) + Phase SI** log IAP log K(329 K, 1 atm) Anhydrite 0.00 -4.65 -4.65 CaSO4 Gypsum -0.01 -4.65 -4.64 CaSO4:2H2O @@ -2701,6 +2765,8 @@ S(6) 1.470e-02 O2(g) -11.82 -14.87 -3.05 O2 Sulfur -76.66 -72.44 4.23 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 33. @@ -2772,7 +2838,7 @@ S(6) 1.441e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(330 K, 1 atm) + Phase SI** log IAP log K(330 K, 1 atm) Anhydrite 0.00 -4.67 -4.67 CaSO4 Gypsum -0.02 -4.67 -4.64 CaSO4:2H2O @@ -2782,6 +2848,8 @@ S(6) 1.441e-02 O2(g) -11.82 -14.87 -3.06 O2 Sulfur -76.35 -72.15 4.21 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 34. @@ -2853,7 +2921,7 @@ S(6) 1.412e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(331 K, 1 atm) + Phase SI** log IAP log K(331 K, 1 atm) Anhydrite 0.00 -4.68 -4.68 CaSO4 Gypsum -0.03 -4.68 -4.65 CaSO4:2H2O @@ -2863,6 +2931,8 @@ S(6) 1.412e-02 O2(g) -11.81 -14.87 -3.06 O2 Sulfur -76.04 -71.85 4.19 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 35. @@ -2934,7 +3004,7 @@ S(6) 1.383e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(332 K, 1 atm) + Phase SI** log IAP log K(332 K, 1 atm) Anhydrite 0.00 -4.69 -4.69 CaSO4 Gypsum -0.04 -4.69 -4.65 CaSO4:2H2O @@ -2944,6 +3014,8 @@ S(6) 1.383e-02 O2(g) -11.81 -14.87 -3.06 O2 Sulfur -75.73 -71.56 4.17 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 36. @@ -3015,7 +3087,7 @@ S(6) 1.355e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(333 K, 1 atm) + Phase SI** log IAP log K(333 K, 1 atm) Anhydrite 0.00 -4.71 -4.71 CaSO4 Gypsum -0.05 -4.71 -4.65 CaSO4:2H2O @@ -3025,6 +3097,8 @@ S(6) 1.355e-02 O2(g) -11.68 -14.75 -3.06 O2 Sulfur -75.61 -71.46 4.15 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 37. @@ -3096,7 +3170,7 @@ S(6) 1.328e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(334 K, 1 atm) + Phase SI** log IAP log K(334 K, 1 atm) Anhydrite 0.00 -4.72 -4.72 CaSO4 Gypsum -0.06 -4.72 -4.66 CaSO4:2H2O @@ -3106,6 +3180,8 @@ S(6) 1.328e-02 O2(g) -11.81 -14.88 -3.07 O2 Sulfur -75.11 -70.98 4.13 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 38. @@ -3177,7 +3253,7 @@ S(6) 1.300e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(335 K, 1 atm) + Phase SI** log IAP log K(335 K, 1 atm) Anhydrite 0.00 -4.73 -4.73 CaSO4 Gypsum -0.07 -4.73 -4.66 CaSO4:2H2O @@ -3187,6 +3263,8 @@ S(6) 1.300e-02 O2(g) -11.80 -14.87 -3.07 O2 Sulfur -74.81 -70.70 4.11 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 39. @@ -3258,7 +3336,7 @@ S(6) 1.274e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(336 K, 1 atm) + Phase SI** log IAP log K(336 K, 1 atm) Anhydrite 0.00 -4.75 -4.75 CaSO4 Gypsum -0.08 -4.75 -4.67 CaSO4:2H2O @@ -3268,6 +3346,8 @@ S(6) 1.274e-02 O2(g) -11.80 -14.87 -3.07 O2 Sulfur -74.52 -70.42 4.09 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 40. @@ -3339,7 +3419,7 @@ S(6) 1.247e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(337 K, 1 atm) + Phase SI** log IAP log K(337 K, 1 atm) Anhydrite 0.00 -4.76 -4.76 CaSO4 Gypsum -0.09 -4.76 -4.67 CaSO4:2H2O @@ -3349,6 +3429,8 @@ S(6) 1.247e-02 O2(g) -11.79 -14.87 -3.08 O2 Sulfur -74.22 -70.14 4.08 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 41. @@ -3420,7 +3502,7 @@ S(6) 1.222e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(338 K, 1 atm) + Phase SI** log IAP log K(338 K, 1 atm) Anhydrite 0.00 -4.77 -4.77 CaSO4 Gypsum -0.10 -4.77 -4.67 CaSO4:2H2O @@ -3430,6 +3512,8 @@ S(6) 1.222e-02 O2(g) -11.79 -14.87 -3.08 O2 Sulfur -73.92 -69.86 4.06 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 42. @@ -3501,7 +3585,7 @@ S(6) 1.196e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(339 K, 1 atm) + Phase SI** log IAP log K(339 K, 1 atm) Anhydrite 0.00 -4.79 -4.79 CaSO4 Gypsum -0.11 -4.79 -4.68 CaSO4:2H2O @@ -3511,6 +3595,8 @@ S(6) 1.196e-02 O2(g) -11.79 -14.87 -3.08 O2 Sulfur -73.62 -69.58 4.04 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 43. @@ -3582,7 +3668,7 @@ S(6) 1.171e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(340 K, 1 atm) + Phase SI** log IAP log K(340 K, 1 atm) Anhydrite 0.00 -4.80 -4.80 CaSO4 Gypsum -0.12 -4.80 -4.68 CaSO4:2H2O @@ -3592,6 +3678,8 @@ S(6) 1.171e-02 O2(g) -11.79 -14.87 -3.08 O2 Sulfur -73.33 -69.31 4.02 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 44. @@ -3663,7 +3751,7 @@ S(6) 1.147e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(341 K, 1 atm) + Phase SI** log IAP log K(341 K, 1 atm) Anhydrite 0.00 -4.81 -4.81 CaSO4 Gypsum -0.13 -4.81 -4.69 CaSO4:2H2O @@ -3673,6 +3761,8 @@ S(6) 1.147e-02 O2(g) -11.79 -14.87 -3.08 O2 Sulfur -73.03 -69.03 4.00 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 45. @@ -3744,7 +3834,7 @@ S(6) 1.123e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(342 K, 1 atm) + Phase SI** log IAP log K(342 K, 1 atm) Anhydrite 0.00 -4.83 -4.83 CaSO4 Gypsum -0.14 -4.83 -4.69 CaSO4:2H2O @@ -3754,6 +3844,8 @@ S(6) 1.123e-02 O2(g) -11.78 -14.87 -3.09 O2 Sulfur -72.74 -68.75 3.99 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 46. @@ -3825,7 +3917,7 @@ S(6) 1.099e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(343 K, 1 atm) + Phase SI** log IAP log K(343 K, 1 atm) Anhydrite 0.00 -4.84 -4.84 CaSO4 Gypsum -0.15 -4.84 -4.69 CaSO4:2H2O @@ -3835,6 +3927,8 @@ S(6) 1.099e-02 O2(g) -11.78 -14.87 -3.09 O2 Sulfur -72.45 -68.48 3.97 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 47. @@ -3906,7 +4000,7 @@ S(6) 1.076e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(344 K, 1 atm) + Phase SI** log IAP log K(344 K, 1 atm) Anhydrite 0.00 -4.85 -4.85 CaSO4 Gypsum -0.15 -4.85 -4.70 CaSO4:2H2O @@ -3916,6 +4010,8 @@ S(6) 1.076e-02 O2(g) -11.78 -14.87 -3.09 O2 Sulfur -72.16 -68.21 3.95 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 48. @@ -3987,7 +4083,7 @@ S(6) 1.054e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(345 K, 1 atm) + Phase SI** log IAP log K(345 K, 1 atm) Anhydrite 0.00 -4.87 -4.87 CaSO4 Gypsum -0.16 -4.87 -4.70 CaSO4:2H2O @@ -3997,6 +4093,8 @@ S(6) 1.054e-02 O2(g) -11.78 -14.87 -3.09 O2 Sulfur -71.87 -67.94 3.93 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 49. @@ -4068,7 +4166,7 @@ S(6) 1.031e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(346 K, 1 atm) + Phase SI** log IAP log K(346 K, 1 atm) Anhydrite 0.00 -4.88 -4.88 CaSO4 Gypsum -0.17 -4.88 -4.71 CaSO4:2H2O @@ -4078,6 +4176,8 @@ S(6) 1.031e-02 O2(g) -11.78 -14.88 -3.09 O2 Sulfur -71.58 -67.67 3.92 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 50. @@ -4149,7 +4249,7 @@ S(6) 1.010e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(347 K, 1 atm) + Phase SI** log IAP log K(347 K, 1 atm) Anhydrite 0.00 -4.89 -4.89 CaSO4 Gypsum -0.18 -4.89 -4.71 CaSO4:2H2O @@ -4159,6 +4259,8 @@ S(6) 1.010e-02 O2(g) -11.78 -14.87 -3.10 O2 Sulfur -71.30 -67.41 3.90 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 51. @@ -4230,7 +4332,7 @@ S(6) 9.882e-03 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 1 atm) + Phase SI** log IAP log K(348 K, 1 atm) Anhydrite 0.00 -4.91 -4.91 CaSO4 Gypsum -0.19 -4.91 -4.72 CaSO4:2H2O @@ -4240,6 +4342,8 @@ S(6) 9.882e-03 O2(g) -11.78 -14.87 -3.10 O2 Sulfur -71.02 -67.14 3.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -4250,6 +4354,6 @@ Reading input data for simulation 2. ------------------------------------ ------------------------------ -End of Run after 0.05 Seconds. +End of Run after 0.04 Seconds. ------------------------------ diff --git a/ex20a.out b/ex20a.out index ae70b384..a621310d 100644 --- a/ex20a.out +++ b/ex20a.out @@ -123,7 +123,7 @@ O(0) 1.049e-37 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Calcite -0.00 -8.48 -8.48 CaCO3 CH4(g) -74.93 -77.79 -2.86 CH4 @@ -132,6 +132,8 @@ O(0) 1.049e-37 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -34.39 -37.28 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -398,7 +400,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -10.43 -11.94 -1.50 [13C][18O]2 [13C]D4(g) -40.88 -43.74 -2.86 [13C]D4 @@ -437,6 +439,8 @@ O(0) 0.000e+00 O2(g) -60.01 -62.90 -2.89 O2 O[18O](g) -62.71 -65.60 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. diff --git a/ex20b.out b/ex20b.out index 889be249..aed5c60b 100644 --- a/ex20b.out +++ b/ex20b.out @@ -229,7 +229,7 @@ O(0) 7.256e-29 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) CH4(g) -90.50 -93.36 -2.86 CH4 CO2(g) -1.00 -2.47 -1.47 CO2 @@ -237,6 +237,8 @@ O(0) 7.256e-29 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -25.55 -28.44 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -473,7 +475,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.40 -9.90 -1.50 [13C][18O]2 [13C]H4(g) -26.12 -28.98 -2.86 [13C]H4 @@ -506,6 +508,8 @@ O(0) 0.000e+00 O2(g) -58.75 -61.64 -2.89 O2 O[18O](g) -61.45 -64.34 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -735,7 +739,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.48 -9.98 -1.50 [13C][18O]2 [13C]H4(g) -27.85 -30.71 -2.86 [13C]H4 @@ -768,6 +772,8 @@ O(0) 0.000e+00 O2(g) -57.93 -60.82 -2.89 O2 O[18O](g) -60.63 -63.52 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -995,7 +1001,7 @@ O(0) 1.679e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.57 -10.08 -1.50 [13C][18O]2 [13C]H4(g) -121.43 -124.29 -2.86 [13C]H4 @@ -1028,6 +1034,8 @@ O(0) 1.679e-14 O2(g) -11.18 -14.08 -2.89 O2 O[18O](g) -13.89 -16.78 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1264,7 +1272,7 @@ O(0) 1.510e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.70 -10.21 -1.50 [13C][18O]2 [13C]H4(g) -121.47 -124.33 -2.86 [13C]H4 @@ -1297,6 +1305,8 @@ O(0) 1.510e-14 O2(g) -11.23 -14.12 -2.89 O2 O[18O](g) -13.93 -16.82 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1536,7 +1546,7 @@ O(0) 1.284e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.49 -124.35 -2.86 [13C]H4 @@ -1569,6 +1579,8 @@ O(0) 1.284e-14 O2(g) -11.30 -14.19 -2.89 O2 O[18O](g) -14.00 -16.89 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1808,7 +1820,7 @@ O(0) 9.642e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.24 -124.10 -2.86 [13C]H4 @@ -1841,6 +1853,8 @@ O(0) 9.642e-15 O2(g) -11.43 -14.32 -2.89 O2 O[18O](g) -14.13 -17.02 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2082,7 +2096,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -19.99 -22.85 -2.86 [13C]H4 @@ -2115,6 +2129,8 @@ O(0) 0.000e+00 O2(g) -62.05 -64.94 -2.89 O2 O[18O](g) -64.75 -67.64 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2356,7 +2372,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.06 -20.92 -2.86 [13C]H4 @@ -2389,6 +2405,8 @@ O(0) 0.000e+00 O2(g) -63.01 -65.91 -2.89 O2 O[18O](g) -65.71 -68.61 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2630,7 +2648,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -17.76 -20.62 -2.86 [13C]H4 @@ -2663,6 +2681,8 @@ O(0) 0.000e+00 O2(g) -63.16 -66.06 -2.89 O2 O[18O](g) -65.86 -68.76 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2904,7 +2924,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -17.83 -20.69 -2.86 [13C]H4 @@ -2937,6 +2957,8 @@ O(0) 0.000e+00 O2(g) -63.13 -66.02 -2.89 O2 O[18O](g) -65.83 -68.72 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3178,7 +3200,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.63 -21.49 -2.86 [13C]H4 @@ -3211,6 +3233,8 @@ O(0) 0.000e+00 O2(g) -62.73 -65.62 -2.89 O2 O[18O](g) -65.43 -68.32 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3452,7 +3476,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.47 -21.33 -2.86 [13C]H4 @@ -3485,6 +3509,8 @@ O(0) 0.000e+00 O2(g) -62.81 -65.70 -2.89 O2 O[18O](g) -65.51 -68.40 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3726,7 +3752,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.39 -21.25 -2.86 [13C]H4 @@ -3759,6 +3785,8 @@ O(0) 0.000e+00 O2(g) -62.85 -65.74 -2.89 O2 O[18O](g) -65.55 -68.44 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -4000,7 +4028,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.37 -21.23 -2.86 [13C]H4 @@ -4033,6 +4061,8 @@ O(0) 0.000e+00 O2(g) -62.86 -65.75 -2.89 O2 O[18O](g) -65.56 -68.45 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -4274,7 +4304,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.54 -21.40 -2.86 [13C]H4 @@ -4307,6 +4337,8 @@ O(0) 0.000e+00 O2(g) -62.77 -65.66 -2.89 O2 O[18O](g) -65.47 -68.36 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -4548,7 +4580,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -19.28 -22.14 -2.86 [13C]H4 @@ -4581,6 +4613,8 @@ O(0) 0.000e+00 O2(g) -62.40 -65.30 -2.89 O2 O[18O](g) -65.10 -68.00 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -4822,7 +4856,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.88 -21.74 -2.86 [13C]H4 @@ -4855,6 +4889,8 @@ O(0) 0.000e+00 O2(g) -62.60 -65.49 -2.89 O2 O[18O](g) -65.30 -68.19 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -5096,7 +5132,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -20.25 -23.11 -2.86 [13C]H4 @@ -5129,6 +5165,8 @@ O(0) 0.000e+00 O2(g) -61.92 -64.81 -2.89 O2 O[18O](g) -64.62 -67.51 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -5370,7 +5408,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -22.56 -25.42 -2.86 [13C]H4 @@ -5403,6 +5441,8 @@ O(0) 0.000e+00 O2(g) -60.76 -63.66 -2.89 O2 O[18O](g) -63.46 -66.36 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -5642,7 +5682,7 @@ O(0) 2.246e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.97 -124.83 -2.86 [13C]H4 @@ -5675,6 +5715,8 @@ O(0) 2.246e-14 O2(g) -11.06 -13.95 -2.89 O2 O[18O](g) -13.76 -16.65 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -5914,7 +5956,7 @@ O(0) 2.727e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.14 -125.00 -2.86 [13C]H4 @@ -5947,6 +5989,8 @@ O(0) 2.727e-14 O2(g) -10.97 -13.87 -2.89 O2 O[18O](g) -13.67 -16.57 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -6186,7 +6230,7 @@ O(0) 3.462e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.34 -125.20 -2.86 [13C]H4 @@ -6219,6 +6263,8 @@ O(0) 3.462e-14 O2(g) -10.87 -13.76 -2.89 O2 O[18O](g) -13.57 -16.46 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -6458,7 +6504,7 @@ O(0) 2.802e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.16 -125.02 -2.86 [13C]H4 @@ -6491,6 +6537,8 @@ O(0) 2.802e-14 O2(g) -10.96 -13.85 -2.89 O2 O[18O](g) -13.66 -16.55 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -6730,7 +6778,7 @@ O(0) 1.364e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.53 -124.39 -2.86 [13C]H4 @@ -6763,6 +6811,8 @@ O(0) 1.364e-14 O2(g) -11.27 -14.17 -2.89 O2 O[18O](g) -13.97 -16.87 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -7004,7 +7054,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -23.46 -26.32 -2.86 [13C]H4 @@ -7037,6 +7087,8 @@ O(0) 0.000e+00 O2(g) -60.31 -63.21 -2.89 O2 O[18O](g) -63.01 -65.91 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -7278,7 +7330,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -19.67 -22.53 -2.86 [13C]H4 @@ -7311,6 +7363,8 @@ O(0) 0.000e+00 O2(g) -62.21 -65.10 -2.89 O2 O[18O](g) -64.91 -67.80 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -7552,7 +7606,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -19.58 -22.44 -2.86 [13C]H4 @@ -7585,6 +7639,8 @@ O(0) 0.000e+00 O2(g) -62.25 -65.14 -2.89 O2 O[18O](g) -64.95 -67.84 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -7826,7 +7882,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -21.82 -24.68 -2.86 [13C]H4 @@ -7859,6 +7915,8 @@ O(0) 0.000e+00 O2(g) -61.13 -64.02 -2.89 O2 O[18O](g) -63.83 -66.72 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -8098,7 +8156,7 @@ O(0) 2.929e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -120.20 -123.06 -2.86 [13C]H4 @@ -8131,6 +8189,8 @@ O(0) 2.929e-15 O2(g) -11.94 -14.84 -2.89 O2 O[18O](g) -14.64 -17.54 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -8370,7 +8430,7 @@ O(0) 3.733e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.41 -125.27 -2.86 [13C]H4 @@ -8403,6 +8463,8 @@ O(0) 3.733e-14 O2(g) -10.84 -13.73 -2.89 O2 O[18O](g) -13.54 -16.43 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -8642,7 +8704,7 @@ O(0) 5.218e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.70 -125.56 -2.86 [13C]H4 @@ -8675,6 +8737,8 @@ O(0) 5.218e-14 O2(g) -10.69 -13.58 -2.89 O2 O[18O](g) -13.39 -16.28 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -8914,7 +8978,7 @@ O(0) 6.940e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.95 -125.81 -2.86 [13C]H4 @@ -8947,6 +9011,8 @@ O(0) 6.940e-14 O2(g) -10.57 -13.46 -2.89 O2 O[18O](g) -13.27 -16.16 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -9186,7 +9252,7 @@ O(0) 5.927e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.81 -125.67 -2.86 [13C]H4 @@ -9219,6 +9285,8 @@ O(0) 5.927e-14 O2(g) -10.64 -13.53 -2.89 O2 O[18O](g) -13.34 -16.23 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -9458,7 +9526,7 @@ O(0) 2.172e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.94 -124.80 -2.86 [13C]H4 @@ -9491,6 +9559,8 @@ O(0) 2.172e-14 O2(g) -11.07 -13.97 -2.89 O2 O[18O](g) -13.77 -16.67 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -9732,7 +9802,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -23.52 -26.38 -2.86 [13C]H4 @@ -9765,6 +9835,8 @@ O(0) 0.000e+00 O2(g) -60.28 -63.18 -2.89 O2 O[18O](g) -62.98 -65.88 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -10006,7 +10078,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -19.63 -22.49 -2.86 [13C]H4 @@ -10039,6 +10111,8 @@ O(0) 0.000e+00 O2(g) -62.23 -65.12 -2.89 O2 O[18O](g) -64.93 -67.82 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -10280,7 +10354,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -20.13 -22.99 -2.86 [13C]H4 @@ -10313,6 +10387,8 @@ O(0) 0.000e+00 O2(g) -61.98 -64.87 -2.89 O2 O[18O](g) -64.68 -67.57 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -10554,7 +10630,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -22.00 -24.86 -2.86 [13C]H4 @@ -10587,6 +10663,8 @@ O(0) 0.000e+00 O2(g) -61.04 -63.94 -2.89 O2 O[18O](g) -63.74 -66.64 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -10828,7 +10906,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -20.69 -23.55 -2.86 [13C]H4 @@ -10861,6 +10939,8 @@ O(0) 0.000e+00 O2(g) -61.69 -64.59 -2.89 O2 O[18O](g) -64.39 -67.29 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -11102,7 +11182,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -24.87 -27.73 -2.86 [13C]H4 @@ -11135,6 +11215,8 @@ O(0) 0.000e+00 O2(g) -59.61 -62.50 -2.89 O2 O[18O](g) -62.31 -65.20 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -11374,7 +11456,7 @@ O(0) 6.009e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -120.82 -123.68 -2.86 [13C]H4 @@ -11407,6 +11489,8 @@ O(0) 6.009e-15 O2(g) -11.63 -14.52 -2.89 O2 O[18O](g) -14.33 -17.22 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -11648,7 +11732,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -22.68 -25.54 -2.86 [13C]H4 @@ -11681,6 +11765,8 @@ O(0) 0.000e+00 O2(g) -60.70 -63.59 -2.89 O2 O[18O](g) -63.40 -66.29 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -11920,7 +12006,7 @@ O(0) 2.190e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -119.94 -122.80 -2.86 [13C]H4 @@ -11953,6 +12039,8 @@ O(0) 2.190e-15 O2(g) -12.07 -14.96 -2.89 O2 O[18O](g) -14.77 -17.66 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -12192,7 +12280,7 @@ O(0) 3.849e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -120.43 -123.29 -2.86 [13C]H4 @@ -12225,6 +12313,8 @@ O(0) 3.849e-15 O2(g) -11.82 -14.72 -2.89 O2 O[18O](g) -14.52 -17.42 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -12464,7 +12554,7 @@ O(0) 4.294e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -120.53 -123.39 -2.86 [13C]H4 @@ -12497,6 +12587,8 @@ O(0) 4.294e-15 O2(g) -11.78 -14.67 -2.89 O2 O[18O](g) -14.48 -17.37 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -12736,7 +12828,7 @@ O(0) 1.002e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.27 -124.13 -2.86 [13C]H4 @@ -12769,6 +12861,8 @@ O(0) 1.002e-14 O2(g) -11.41 -14.30 -2.89 O2 O[18O](g) -14.11 -17.00 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -13008,7 +13102,7 @@ O(0) 1.458e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.59 -124.45 -2.86 [13C]H4 @@ -13041,6 +13135,8 @@ O(0) 1.458e-14 O2(g) -11.25 -14.14 -2.89 O2 O[18O](g) -13.95 -16.84 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -13280,7 +13376,7 @@ O(0) 7.424e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.01 -123.87 -2.86 [13C]H4 @@ -13313,6 +13409,8 @@ O(0) 7.424e-15 O2(g) -11.54 -14.43 -2.89 O2 O[18O](g) -14.24 -17.13 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -13554,7 +13652,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -20.59 -23.45 -2.86 [13C]H4 @@ -13587,6 +13685,8 @@ O(0) 0.000e+00 O2(g) -61.75 -64.64 -2.89 O2 O[18O](g) -64.45 -67.34 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -13828,7 +13928,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -20.78 -23.64 -2.86 [13C]H4 @@ -13861,6 +13961,8 @@ O(0) 0.000e+00 O2(g) -61.65 -64.54 -2.89 O2 O[18O](g) -64.35 -67.24 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -14102,7 +14204,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.81 -21.67 -2.86 [13C]H4 @@ -14135,6 +14237,8 @@ O(0) 0.000e+00 O2(g) -62.64 -65.53 -2.89 O2 O[18O](g) -65.34 -68.23 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -14376,7 +14480,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -17.11 -19.97 -2.86 [13C]H4 @@ -14409,6 +14513,8 @@ O(0) 0.000e+00 O2(g) -63.49 -66.38 -2.89 O2 O[18O](g) -66.19 -69.08 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -14650,7 +14756,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -16.74 -19.60 -2.86 [13C]H4 @@ -14683,6 +14789,8 @@ O(0) 0.000e+00 O2(g) -63.67 -66.56 -2.89 O2 O[18O](g) -66.37 -69.26 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -14924,7 +15032,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -16.46 -19.32 -2.86 [13C]H4 @@ -14957,6 +15065,8 @@ O(0) 0.000e+00 O2(g) -63.81 -66.70 -2.89 O2 O[18O](g) -66.51 -69.40 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -15198,7 +15308,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -16.58 -19.44 -2.86 [13C]H4 @@ -15231,6 +15341,8 @@ O(0) 0.000e+00 O2(g) -63.75 -66.65 -2.89 O2 O[18O](g) -66.45 -69.35 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -15472,7 +15584,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -16.55 -19.41 -2.86 [13C]H4 @@ -15505,6 +15617,8 @@ O(0) 0.000e+00 O2(g) -63.77 -66.66 -2.89 O2 O[18O](g) -66.47 -69.36 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -15746,7 +15860,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -16.42 -19.28 -2.86 [13C]H4 @@ -15779,6 +15893,8 @@ O(0) 0.000e+00 O2(g) -63.83 -66.72 -2.89 O2 O[18O](g) -66.53 -69.42 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -16020,7 +16136,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.97 -18.83 -2.86 [13C]H4 @@ -16053,6 +16169,8 @@ O(0) 0.000e+00 O2(g) -64.06 -66.95 -2.89 O2 O[18O](g) -66.76 -69.65 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -16294,7 +16412,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -16.28 -19.14 -2.86 [13C]H4 @@ -16327,6 +16445,8 @@ O(0) 0.000e+00 O2(g) -63.90 -66.79 -2.89 O2 O[18O](g) -66.60 -69.49 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -16568,7 +16688,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -16.13 -18.99 -2.86 [13C]H4 @@ -16601,6 +16721,8 @@ O(0) 0.000e+00 O2(g) -63.98 -66.87 -2.89 O2 O[18O](g) -66.68 -69.57 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -16842,7 +16964,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.65 -18.51 -2.86 [13C]H4 @@ -16875,6 +16997,8 @@ O(0) 0.000e+00 O2(g) -64.22 -67.11 -2.89 O2 O[18O](g) -66.92 -69.81 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -17116,7 +17240,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.46 -18.32 -2.86 [13C]H4 @@ -17149,6 +17273,8 @@ O(0) 0.000e+00 O2(g) -64.31 -67.21 -2.89 O2 O[18O](g) -67.01 -69.91 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -17390,7 +17516,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.29 -18.15 -2.86 [13C]H4 @@ -17423,6 +17549,8 @@ O(0) 0.000e+00 O2(g) -64.40 -67.29 -2.89 O2 O[18O](g) -67.10 -69.99 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -17664,7 +17792,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.35 -18.21 -2.86 [13C]H4 @@ -17697,6 +17825,8 @@ O(0) 0.000e+00 O2(g) -64.37 -67.26 -2.89 O2 O[18O](g) -67.07 -69.96 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -17938,7 +18068,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.57 -18.43 -2.86 [13C]H4 @@ -17971,6 +18101,8 @@ O(0) 0.000e+00 O2(g) -64.26 -67.15 -2.89 O2 O[18O](g) -66.96 -69.85 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -18212,7 +18344,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.68 -18.54 -2.86 [13C]H4 @@ -18245,6 +18377,8 @@ O(0) 0.000e+00 O2(g) -64.20 -67.09 -2.89 O2 O[18O](g) -66.90 -69.79 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -18486,7 +18620,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.72 -18.58 -2.86 [13C]H4 @@ -18519,6 +18653,8 @@ O(0) 0.000e+00 O2(g) -64.18 -67.07 -2.89 O2 O[18O](g) -66.88 -69.77 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -18760,7 +18896,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.50 -18.36 -2.86 [13C]H4 @@ -18793,6 +18929,8 @@ O(0) 0.000e+00 O2(g) -64.29 -67.19 -2.89 O2 O[18O](g) -66.99 -69.89 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -19034,7 +19172,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.27 -18.13 -2.86 [13C]H4 @@ -19067,6 +19205,8 @@ O(0) 0.000e+00 O2(g) -64.40 -67.30 -2.89 O2 O[18O](g) -67.10 -70.00 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -19308,7 +19448,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.14 -18.00 -2.86 [13C]H4 @@ -19341,6 +19481,8 @@ O(0) 0.000e+00 O2(g) -64.47 -67.36 -2.89 O2 O[18O](g) -67.17 -70.06 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -19582,7 +19724,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.99 -17.85 -2.86 [13C]H4 @@ -19615,6 +19757,8 @@ O(0) 0.000e+00 O2(g) -64.55 -67.44 -2.89 O2 O[18O](g) -67.25 -70.14 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -19856,7 +20000,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.88 -17.74 -2.86 [13C]H4 @@ -19889,6 +20033,8 @@ O(0) 0.000e+00 O2(g) -64.60 -67.49 -2.89 O2 O[18O](g) -67.30 -70.19 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -20130,7 +20276,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.89 -17.75 -2.86 [13C]H4 @@ -20163,6 +20309,8 @@ O(0) 0.000e+00 O2(g) -64.60 -67.49 -2.89 O2 O[18O](g) -67.30 -70.19 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -20404,7 +20552,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.85 -17.71 -2.86 [13C]H4 @@ -20437,6 +20585,8 @@ O(0) 0.000e+00 O2(g) -64.61 -67.51 -2.89 O2 O[18O](g) -67.31 -70.21 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -20678,7 +20828,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.98 -17.84 -2.86 [13C]H4 @@ -20711,6 +20861,8 @@ O(0) 0.000e+00 O2(g) -64.55 -67.45 -2.89 O2 O[18O](g) -67.25 -70.15 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -20952,7 +21104,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.93 -17.79 -2.86 [13C]H4 @@ -20985,6 +21137,8 @@ O(0) 0.000e+00 O2(g) -64.58 -67.47 -2.89 O2 O[18O](g) -67.28 -70.17 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -21226,7 +21380,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.81 -17.67 -2.86 [13C]H4 @@ -21259,6 +21413,8 @@ O(0) 0.000e+00 O2(g) -64.64 -67.53 -2.89 O2 O[18O](g) -67.34 -70.23 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -21500,7 +21656,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.02 -17.88 -2.86 [13C]H4 @@ -21533,6 +21689,8 @@ O(0) 0.000e+00 O2(g) -64.53 -67.43 -2.89 O2 O[18O](g) -67.23 -70.13 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -21774,7 +21932,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.02 -17.88 -2.86 [13C]H4 @@ -21807,6 +21965,8 @@ O(0) 0.000e+00 O2(g) -64.53 -67.42 -2.89 O2 O[18O](g) -67.23 -70.12 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -22048,7 +22208,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.07 -17.93 -2.86 [13C]H4 @@ -22081,6 +22241,8 @@ O(0) 0.000e+00 O2(g) -64.51 -67.40 -2.89 O2 O[18O](g) -67.21 -70.10 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -22322,7 +22484,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.14 -18.00 -2.86 [13C]H4 @@ -22355,6 +22517,8 @@ O(0) 0.000e+00 O2(g) -64.47 -67.36 -2.89 O2 O[18O](g) -67.17 -70.06 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -22596,7 +22760,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.19 -18.05 -2.86 [13C]H4 @@ -22629,6 +22793,8 @@ O(0) 0.000e+00 O2(g) -64.45 -67.34 -2.89 O2 O[18O](g) -67.15 -70.04 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -22870,7 +23036,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.13 -17.99 -2.86 [13C]H4 @@ -22903,6 +23069,8 @@ O(0) 0.000e+00 O2(g) -64.47 -67.37 -2.89 O2 O[18O](g) -67.17 -70.07 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -23144,7 +23312,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.29 -18.15 -2.86 [13C]H4 @@ -23177,6 +23345,8 @@ O(0) 0.000e+00 O2(g) -64.39 -67.29 -2.89 O2 O[18O](g) -67.09 -69.99 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -23418,7 +23588,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.12 -17.98 -2.86 [13C]H4 @@ -23451,6 +23621,8 @@ O(0) 0.000e+00 O2(g) -64.48 -67.37 -2.89 O2 O[18O](g) -67.18 -70.07 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -23692,7 +23864,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.14 -18.00 -2.86 [13C]H4 @@ -23725,6 +23897,8 @@ O(0) 0.000e+00 O2(g) -64.47 -67.36 -2.89 O2 O[18O](g) -67.17 -70.06 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -23966,7 +24140,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.04 -17.90 -2.86 [13C]H4 @@ -23999,6 +24173,8 @@ O(0) 0.000e+00 O2(g) -64.52 -67.42 -2.89 O2 O[18O](g) -67.22 -70.12 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -24240,7 +24416,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.13 -17.99 -2.86 [13C]H4 @@ -24273,6 +24449,8 @@ O(0) 0.000e+00 O2(g) -64.48 -67.37 -2.89 O2 O[18O](g) -67.18 -70.07 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -24514,7 +24692,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.14 -18.00 -2.86 [13C]H4 @@ -24547,6 +24725,8 @@ O(0) 0.000e+00 O2(g) -64.47 -67.36 -2.89 O2 O[18O](g) -67.17 -70.06 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -24788,7 +24968,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.24 -18.10 -2.86 [13C]H4 @@ -24821,6 +25001,8 @@ O(0) 0.000e+00 O2(g) -64.42 -67.31 -2.89 O2 O[18O](g) -67.12 -70.01 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -25062,7 +25244,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.14 -18.00 -2.86 [13C]H4 @@ -25095,6 +25277,8 @@ O(0) 0.000e+00 O2(g) -64.47 -67.36 -2.89 O2 O[18O](g) -67.17 -70.06 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -25336,7 +25520,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -15.09 -17.95 -2.86 [13C]H4 @@ -25369,6 +25553,8 @@ O(0) 0.000e+00 O2(g) -64.50 -67.39 -2.89 O2 O[18O](g) -67.20 -70.09 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -25610,7 +25796,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.90 -17.76 -2.86 [13C]H4 @@ -25643,6 +25829,8 @@ O(0) 0.000e+00 O2(g) -64.59 -67.48 -2.89 O2 O[18O](g) -67.29 -70.18 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -25884,7 +26072,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.85 -17.71 -2.86 [13C]H4 @@ -25917,6 +26105,8 @@ O(0) 0.000e+00 O2(g) -64.61 -67.51 -2.89 O2 O[18O](g) -67.31 -70.21 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -26158,7 +26348,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.74 -17.60 -2.86 [13C]H4 @@ -26191,6 +26381,8 @@ O(0) 0.000e+00 O2(g) -64.67 -67.56 -2.89 O2 O[18O](g) -67.37 -70.26 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -26432,7 +26624,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.63 -17.49 -2.86 [13C]H4 @@ -26465,6 +26657,8 @@ O(0) 0.000e+00 O2(g) -64.73 -67.62 -2.89 O2 O[18O](g) -67.43 -70.32 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -26706,7 +26900,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.60 -17.46 -2.86 [13C]H4 @@ -26739,6 +26933,8 @@ O(0) 0.000e+00 O2(g) -64.74 -67.63 -2.89 O2 O[18O](g) -67.44 -70.33 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -26980,7 +27176,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.59 -17.45 -2.86 [13C]H4 @@ -27013,6 +27209,8 @@ O(0) 0.000e+00 O2(g) -64.75 -67.64 -2.89 O2 O[18O](g) -67.45 -70.34 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -27254,7 +27452,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.57 -17.43 -2.86 [13C]H4 @@ -27287,6 +27485,8 @@ O(0) 0.000e+00 O2(g) -64.75 -67.65 -2.89 O2 O[18O](g) -67.45 -70.35 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -27528,7 +27728,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -14.54 -17.40 -2.86 [13C]H4 @@ -27561,6 +27761,8 @@ O(0) 0.000e+00 O2(g) -64.77 -67.66 -2.89 O2 O[18O](g) -67.47 -70.36 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -27698,7 +27900,7 @@ O(0) 7.256e-29 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) CH4(g) -90.50 -93.36 -2.86 CH4 CO2(g) -1.00 -2.47 -1.47 CO2 @@ -27706,6 +27908,8 @@ O(0) 7.256e-29 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -25.55 -28.44 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -27944,7 +28148,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.40 -9.90 -1.50 [13C][18O]2 [13C]H4(g) -26.12 -28.98 -2.86 [13C]H4 @@ -27977,6 +28181,8 @@ O(0) 0.000e+00 O2(g) -58.75 -61.64 -2.89 O2 O[18O](g) -61.45 -64.34 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -28189,7 +28395,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.48 -9.98 -1.50 [13C][18O]2 [13C]H4(g) -27.85 -30.71 -2.86 [13C]H4 @@ -28222,6 +28428,8 @@ O(0) 0.000e+00 O2(g) -57.93 -60.82 -2.89 O2 O[18O](g) -60.63 -63.52 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -28432,7 +28640,7 @@ O(0) 1.679e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.57 -10.08 -1.50 [13C][18O]2 [13C]H4(g) -121.43 -124.29 -2.86 [13C]H4 @@ -28465,6 +28673,8 @@ O(0) 1.679e-14 O2(g) -11.18 -14.08 -2.89 O2 O[18O](g) -13.89 -16.78 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -28684,7 +28894,7 @@ O(0) 1.510e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.70 -10.21 -1.50 [13C][18O]2 [13C]H4(g) -121.47 -124.33 -2.86 [13C]H4 @@ -28717,6 +28927,8 @@ O(0) 1.510e-14 O2(g) -11.23 -14.12 -2.89 O2 O[18O](g) -13.93 -16.82 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -28939,7 +29151,7 @@ O(0) 1.277e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.48 -124.34 -2.86 [13C]H4 @@ -28972,6 +29184,8 @@ O(0) 1.277e-14 O2(g) -11.30 -14.20 -2.89 O2 O[18O](g) -14.00 -16.90 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -29194,7 +29408,7 @@ O(0) 9.619e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.23 -124.09 -2.86 [13C]H4 @@ -29227,6 +29441,8 @@ O(0) 9.619e-15 O2(g) -11.43 -14.32 -2.89 O2 O[18O](g) -14.13 -17.02 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -29449,7 +29665,7 @@ O(0) 3.409e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.33 -125.19 -2.86 [13C]H4 @@ -29482,6 +29698,8 @@ O(0) 3.409e-14 O2(g) -10.88 -13.77 -2.89 O2 O[18O](g) -13.58 -16.47 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -29704,7 +29922,7 @@ O(0) 3.956e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.46 -125.32 -2.86 [13C]H4 @@ -29737,6 +29955,8 @@ O(0) 3.956e-14 O2(g) -10.81 -13.70 -2.89 O2 O[18O](g) -13.51 -16.40 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -29959,7 +30179,7 @@ O(0) 5.334e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.72 -125.58 -2.86 [13C]H4 @@ -29992,6 +30212,8 @@ O(0) 5.334e-14 O2(g) -10.68 -13.58 -2.89 O2 O[18O](g) -13.38 -16.28 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -30214,7 +30436,7 @@ O(0) 7.032e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.96 -125.82 -2.86 [13C]H4 @@ -30247,6 +30469,8 @@ O(0) 7.032e-14 O2(g) -10.56 -13.45 -2.89 O2 O[18O](g) -13.26 -16.15 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -30469,7 +30693,7 @@ O(0) 5.990e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.82 -125.68 -2.86 [13C]H4 @@ -30502,6 +30726,8 @@ O(0) 5.990e-14 O2(g) -10.63 -13.52 -2.89 O2 O[18O](g) -13.33 -16.22 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -30724,7 +30950,7 @@ O(0) 3.697e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.40 -125.26 -2.86 [13C]H4 @@ -30757,6 +30983,8 @@ O(0) 3.697e-14 O2(g) -10.84 -13.73 -2.89 O2 O[18O](g) -13.54 -16.43 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 13. @@ -30979,7 +31207,7 @@ O(0) 4.318e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.54 -125.40 -2.86 [13C]H4 @@ -31012,6 +31240,8 @@ O(0) 4.318e-14 O2(g) -10.77 -13.67 -2.89 O2 O[18O](g) -13.47 -16.37 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 14. @@ -31234,7 +31464,7 @@ O(0) 2.935e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.20 -125.06 -2.86 [13C]H4 @@ -31267,6 +31497,8 @@ O(0) 2.935e-14 O2(g) -10.94 -13.83 -2.89 O2 O[18O](g) -13.64 -16.53 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 15. @@ -31489,7 +31721,7 @@ O(0) 3.515e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.36 -125.22 -2.86 [13C]H4 @@ -31522,6 +31754,8 @@ O(0) 3.515e-14 O2(g) -10.86 -13.76 -2.89 O2 O[18O](g) -13.56 -16.46 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 16. @@ -31744,7 +31978,7 @@ O(0) 6.149e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.84 -125.70 -2.86 [13C]H4 @@ -31777,6 +32011,8 @@ O(0) 6.149e-14 O2(g) -10.62 -13.51 -2.89 O2 O[18O](g) -13.32 -16.21 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 17. @@ -31999,7 +32235,7 @@ O(0) 1.017e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.28 -126.14 -2.86 [13C]H4 @@ -32032,6 +32268,8 @@ O(0) 1.017e-13 O2(g) -10.40 -13.29 -2.89 O2 O[18O](g) -13.10 -15.99 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 18. @@ -32254,7 +32492,7 @@ O(0) 9.381e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.21 -126.07 -2.86 [13C]H4 @@ -32287,6 +32525,8 @@ O(0) 9.381e-14 O2(g) -10.44 -13.33 -2.89 O2 O[18O](g) -13.14 -16.03 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 19. @@ -32509,7 +32749,7 @@ O(0) 1.477e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.60 -126.46 -2.86 [13C]H4 @@ -32542,6 +32782,8 @@ O(0) 1.477e-13 O2(g) -10.24 -13.13 -2.89 O2 O[18O](g) -12.94 -15.83 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 20. @@ -32764,7 +33006,7 @@ O(0) 1.640e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.70 -126.56 -2.86 [13C]H4 @@ -32797,6 +33039,8 @@ O(0) 1.640e-13 O2(g) -10.19 -13.09 -2.89 O2 O[18O](g) -12.89 -15.79 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 21. @@ -33019,7 +33263,7 @@ O(0) 1.526e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.63 -126.49 -2.86 [13C]H4 @@ -33052,6 +33296,8 @@ O(0) 1.526e-13 O2(g) -10.23 -13.12 -2.89 O2 O[18O](g) -12.93 -15.82 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 22. @@ -33274,7 +33520,7 @@ O(0) 1.621e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.69 -126.55 -2.86 [13C]H4 @@ -33307,6 +33553,8 @@ O(0) 1.621e-13 O2(g) -10.20 -13.09 -2.89 O2 O[18O](g) -12.90 -15.79 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 23. @@ -33529,7 +33777,7 @@ O(0) 1.882e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.81 -126.67 -2.86 [13C]H4 @@ -33562,6 +33810,8 @@ O(0) 1.882e-13 O2(g) -10.14 -13.03 -2.89 O2 O[18O](g) -12.84 -15.73 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 24. @@ -33784,7 +34034,7 @@ O(0) 1.842e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.80 -126.66 -2.86 [13C]H4 @@ -33817,6 +34067,8 @@ O(0) 1.842e-13 O2(g) -10.14 -13.04 -2.89 O2 O[18O](g) -12.84 -15.74 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 25. @@ -34039,7 +34291,7 @@ O(0) 1.932e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.84 -126.70 -2.86 [13C]H4 @@ -34072,6 +34324,8 @@ O(0) 1.932e-13 O2(g) -10.12 -13.02 -2.89 O2 O[18O](g) -12.82 -15.72 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 26. @@ -34294,7 +34548,7 @@ O(0) 1.944e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.84 -126.70 -2.86 [13C]H4 @@ -34327,6 +34581,8 @@ O(0) 1.944e-13 O2(g) -10.12 -13.01 -2.89 O2 O[18O](g) -12.82 -15.71 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 27. @@ -34549,7 +34805,7 @@ O(0) 2.016e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.87 -126.73 -2.86 [13C]H4 @@ -34582,6 +34838,8 @@ O(0) 2.016e-13 O2(g) -10.11 -13.00 -2.89 O2 O[18O](g) -12.81 -15.70 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 28. @@ -34804,7 +35062,7 @@ O(0) 1.970e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.86 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.85 -126.71 -2.86 [13C]H4 @@ -34837,6 +35095,8 @@ O(0) 1.970e-13 O2(g) -10.12 -13.01 -2.89 O2 O[18O](g) -12.82 -15.71 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 29. @@ -35059,7 +35319,7 @@ O(0) 1.865e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.81 -126.67 -2.86 [13C]H4 @@ -35092,6 +35352,8 @@ O(0) 1.865e-13 O2(g) -10.14 -13.03 -2.89 O2 O[18O](g) -12.84 -15.73 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 30. @@ -35314,7 +35576,7 @@ O(0) 1.552e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.65 -126.51 -2.86 [13C]H4 @@ -35347,6 +35609,8 @@ O(0) 1.552e-13 O2(g) -10.22 -13.11 -2.89 O2 O[18O](g) -12.92 -15.81 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 31. @@ -35569,7 +35833,7 @@ O(0) 1.527e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.63 -126.49 -2.86 [13C]H4 @@ -35602,6 +35866,8 @@ O(0) 1.527e-13 O2(g) -10.23 -13.12 -2.89 O2 O[18O](g) -12.93 -15.82 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 32. @@ -35824,7 +36090,7 @@ O(0) 1.345e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.52 -126.38 -2.86 [13C]H4 @@ -35857,6 +36123,8 @@ O(0) 1.345e-13 O2(g) -10.28 -13.17 -2.89 O2 O[18O](g) -12.98 -15.87 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 33. @@ -36079,7 +36347,7 @@ O(0) 1.401e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.56 -126.42 -2.86 [13C]H4 @@ -36112,6 +36380,8 @@ O(0) 1.401e-13 O2(g) -10.26 -13.16 -2.89 O2 O[18O](g) -12.96 -15.86 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 34. @@ -36334,7 +36604,7 @@ O(0) 1.424e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.57 -126.43 -2.86 [13C]H4 @@ -36367,6 +36637,8 @@ O(0) 1.424e-13 O2(g) -10.26 -13.15 -2.89 O2 O[18O](g) -12.96 -15.85 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 35. @@ -36589,7 +36861,7 @@ O(0) 1.537e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.64 -126.50 -2.86 [13C]H4 @@ -36622,6 +36894,8 @@ O(0) 1.537e-13 O2(g) -10.22 -13.12 -2.89 O2 O[18O](g) -12.92 -15.82 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 36. @@ -36844,7 +37118,7 @@ O(0) 1.402e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.56 -126.42 -2.86 [13C]H4 @@ -36877,6 +37151,8 @@ O(0) 1.402e-13 O2(g) -10.26 -13.16 -2.89 O2 O[18O](g) -12.96 -15.86 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 37. @@ -37099,7 +37375,7 @@ O(0) 1.498e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.62 -126.48 -2.86 [13C]H4 @@ -37132,6 +37408,8 @@ O(0) 1.498e-13 O2(g) -10.23 -13.13 -2.89 O2 O[18O](g) -12.93 -15.83 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 38. @@ -37354,7 +37632,7 @@ O(0) 1.971e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.85 -126.71 -2.86 [13C]H4 @@ -37387,6 +37665,8 @@ O(0) 1.971e-13 O2(g) -10.12 -13.01 -2.89 O2 O[18O](g) -12.82 -15.71 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 39. @@ -37609,7 +37889,7 @@ O(0) 2.211e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.95 -126.81 -2.86 [13C]H4 @@ -37642,6 +37922,8 @@ O(0) 2.211e-13 O2(g) -10.07 -12.96 -2.89 O2 O[18O](g) -12.77 -15.66 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 40. @@ -37864,7 +38146,7 @@ O(0) 2.203e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.95 -126.81 -2.86 [13C]H4 @@ -37897,6 +38179,8 @@ O(0) 2.203e-13 O2(g) -10.07 -12.96 -2.89 O2 O[18O](g) -12.77 -15.66 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 41. @@ -38119,7 +38403,7 @@ O(0) 2.518e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.07 -126.93 -2.86 [13C]H4 @@ -38152,6 +38436,8 @@ O(0) 2.518e-13 O2(g) -10.01 -12.90 -2.89 O2 O[18O](g) -12.71 -15.60 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 42. @@ -38374,7 +38660,7 @@ O(0) 2.320e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.00 -126.86 -2.86 [13C]H4 @@ -38407,6 +38693,8 @@ O(0) 2.320e-13 O2(g) -10.04 -12.94 -2.89 O2 O[18O](g) -12.74 -15.64 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 43. @@ -38629,7 +38917,7 @@ O(0) 2.492e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.06 -126.92 -2.86 [13C]H4 @@ -38662,6 +38950,8 @@ O(0) 2.492e-13 O2(g) -10.01 -12.91 -2.89 O2 O[18O](g) -12.71 -15.61 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 44. @@ -38884,7 +39174,7 @@ O(0) 2.450e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.04 -126.90 -2.86 [13C]H4 @@ -38917,6 +39207,8 @@ O(0) 2.450e-13 O2(g) -10.02 -12.91 -2.89 O2 O[18O](g) -12.72 -15.61 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 45. @@ -39139,7 +39431,7 @@ O(0) 2.402e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.03 -126.89 -2.86 [13C]H4 @@ -39172,6 +39464,8 @@ O(0) 2.402e-13 O2(g) -10.03 -12.92 -2.89 O2 O[18O](g) -12.73 -15.62 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 46. @@ -39394,7 +39688,7 @@ O(0) 2.420e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.03 -126.89 -2.86 [13C]H4 @@ -39427,6 +39721,8 @@ O(0) 2.420e-13 O2(g) -10.03 -12.92 -2.89 O2 O[18O](g) -12.73 -15.62 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 47. @@ -39649,7 +39945,7 @@ O(0) 2.237e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.96 -126.82 -2.86 [13C]H4 @@ -39682,6 +39978,8 @@ O(0) 2.237e-13 O2(g) -10.06 -12.95 -2.89 O2 O[18O](g) -12.76 -15.65 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 48. @@ -39904,7 +40202,7 @@ O(0) 2.301e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.99 -126.85 -2.86 [13C]H4 @@ -39937,6 +40235,8 @@ O(0) 2.301e-13 O2(g) -10.05 -12.94 -2.89 O2 O[18O](g) -12.75 -15.64 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 49. @@ -40159,7 +40459,7 @@ O(0) 2.289e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.98 -126.84 -2.86 [13C]H4 @@ -40192,6 +40492,8 @@ O(0) 2.289e-13 O2(g) -10.05 -12.94 -2.89 O2 O[18O](g) -12.75 -15.64 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 50. @@ -40414,7 +40716,7 @@ O(0) 2.599e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.09 -126.95 -2.86 [13C]H4 @@ -40447,6 +40749,8 @@ O(0) 2.599e-13 O2(g) -9.99 -12.89 -2.89 O2 O[18O](g) -12.69 -15.59 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 51. @@ -40669,7 +40973,7 @@ O(0) 2.490e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.06 -126.92 -2.86 [13C]H4 @@ -40702,6 +41006,8 @@ O(0) 2.490e-13 O2(g) -10.01 -12.91 -2.89 O2 O[18O](g) -12.71 -15.61 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 52. @@ -40924,7 +41230,7 @@ O(0) 2.522e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.07 -126.93 -2.86 [13C]H4 @@ -40957,6 +41263,8 @@ O(0) 2.522e-13 O2(g) -10.01 -12.90 -2.89 O2 O[18O](g) -12.71 -15.60 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 53. @@ -41179,7 +41487,7 @@ O(0) 2.323e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.00 -126.86 -2.86 [13C]H4 @@ -41212,6 +41520,8 @@ O(0) 2.323e-13 O2(g) -10.04 -12.94 -2.89 O2 O[18O](g) -12.74 -15.64 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 54. @@ -41434,7 +41744,7 @@ O(0) 2.601e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.10 -126.96 -2.86 [13C]H4 @@ -41467,6 +41777,8 @@ O(0) 2.601e-13 O2(g) -9.99 -12.89 -2.89 O2 O[18O](g) -12.69 -15.59 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 55. @@ -41689,7 +42001,7 @@ O(0) 2.642e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.11 -126.97 -2.86 [13C]H4 @@ -41722,6 +42034,8 @@ O(0) 2.642e-13 O2(g) -9.99 -12.88 -2.89 O2 O[18O](g) -12.69 -15.58 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 56. @@ -41944,7 +42258,7 @@ O(0) 2.953e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.21 -127.07 -2.86 [13C]H4 @@ -41977,6 +42291,8 @@ O(0) 2.953e-13 O2(g) -9.94 -12.83 -2.89 O2 O[18O](g) -12.64 -15.53 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 57. @@ -42199,7 +42515,7 @@ O(0) 2.897e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.19 -127.05 -2.86 [13C]H4 @@ -42232,6 +42548,8 @@ O(0) 2.897e-13 O2(g) -9.95 -12.84 -2.89 O2 O[18O](g) -12.65 -15.54 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 58. @@ -42454,7 +42772,7 @@ O(0) 2.346e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.01 -126.87 -2.86 [13C]H4 @@ -42487,6 +42805,8 @@ O(0) 2.346e-13 O2(g) -10.04 -12.93 -2.89 O2 O[18O](g) -12.74 -15.63 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 59. @@ -42709,7 +43029,7 @@ O(0) 1.956e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.85 -126.71 -2.86 [13C]H4 @@ -42742,6 +43062,8 @@ O(0) 1.956e-13 O2(g) -10.12 -13.01 -2.89 O2 O[18O](g) -12.82 -15.71 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 60. @@ -42964,7 +43286,7 @@ O(0) 1.749e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.75 -126.61 -2.86 [13C]H4 @@ -42997,6 +43319,8 @@ O(0) 1.749e-13 O2(g) -10.17 -13.06 -2.89 O2 O[18O](g) -12.87 -15.76 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 61. @@ -43219,7 +43543,7 @@ O(0) 1.888e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.82 -126.68 -2.86 [13C]H4 @@ -43252,6 +43576,8 @@ O(0) 1.888e-13 O2(g) -10.13 -13.03 -2.89 O2 O[18O](g) -12.83 -15.73 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 62. @@ -43474,7 +43800,7 @@ O(0) 1.546e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.64 -126.50 -2.86 [13C]H4 @@ -43507,6 +43833,8 @@ O(0) 1.546e-13 O2(g) -10.22 -13.11 -2.89 O2 O[18O](g) -12.92 -15.81 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 63. @@ -43729,7 +44057,7 @@ O(0) 1.320e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.51 -126.37 -2.86 [13C]H4 @@ -43762,6 +44090,8 @@ O(0) 1.320e-13 O2(g) -10.29 -13.18 -2.89 O2 O[18O](g) -12.99 -15.88 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 64. @@ -43984,7 +44314,7 @@ O(0) 1.240e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.45 -126.31 -2.86 [13C]H4 @@ -44017,6 +44347,8 @@ O(0) 1.240e-13 O2(g) -10.32 -13.21 -2.89 O2 O[18O](g) -13.02 -15.91 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 65. @@ -44239,7 +44571,7 @@ O(0) 1.055e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.31 -126.17 -2.86 [13C]H4 @@ -44272,6 +44604,8 @@ O(0) 1.055e-13 O2(g) -10.39 -13.28 -2.89 O2 O[18O](g) -13.09 -15.98 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 66. @@ -44494,7 +44828,7 @@ O(0) 1.227e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.44 -126.30 -2.86 [13C]H4 @@ -44527,6 +44861,8 @@ O(0) 1.227e-13 O2(g) -10.32 -13.21 -2.89 O2 O[18O](g) -13.02 -15.91 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 67. @@ -44749,7 +45085,7 @@ O(0) 1.012e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.28 -126.14 -2.86 [13C]H4 @@ -44782,6 +45118,8 @@ O(0) 1.012e-13 O2(g) -10.40 -13.30 -2.89 O2 O[18O](g) -13.10 -16.00 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 68. @@ -45004,7 +45342,7 @@ O(0) 1.160e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.39 -126.25 -2.86 [13C]H4 @@ -45037,6 +45375,8 @@ O(0) 1.160e-13 O2(g) -10.35 -13.24 -2.89 O2 O[18O](g) -13.05 -15.94 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 69. @@ -45259,7 +45599,7 @@ O(0) 1.211e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.43 -126.29 -2.86 [13C]H4 @@ -45292,6 +45632,8 @@ O(0) 1.211e-13 O2(g) -10.33 -13.22 -2.89 O2 O[18O](g) -13.03 -15.92 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 70. @@ -45514,7 +45856,7 @@ O(0) 1.354e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.53 -126.39 -2.86 [13C]H4 @@ -45547,6 +45889,8 @@ O(0) 1.354e-13 O2(g) -10.28 -13.17 -2.89 O2 O[18O](g) -12.98 -15.87 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 71. @@ -45769,7 +46113,7 @@ O(0) 1.346e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.52 -126.38 -2.86 [13C]H4 @@ -45802,6 +46146,8 @@ O(0) 1.346e-13 O2(g) -10.28 -13.17 -2.89 O2 O[18O](g) -12.98 -15.87 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 72. @@ -46024,7 +46370,7 @@ O(0) 1.090e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.34 -126.20 -2.86 [13C]H4 @@ -46057,6 +46403,8 @@ O(0) 1.090e-13 O2(g) -10.37 -13.26 -2.89 O2 O[18O](g) -13.07 -15.96 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 73. @@ -46279,7 +46627,7 @@ O(0) 1.131e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.37 -126.23 -2.86 [13C]H4 @@ -46312,6 +46660,8 @@ O(0) 1.131e-13 O2(g) -10.36 -13.25 -2.89 O2 O[18O](g) -13.06 -15.95 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 74. @@ -46534,7 +46884,7 @@ O(0) 1.306e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.50 -126.36 -2.86 [13C]H4 @@ -46567,6 +46917,8 @@ O(0) 1.306e-13 O2(g) -10.29 -13.19 -2.89 O2 O[18O](g) -12.99 -15.89 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 75. @@ -46789,7 +47141,7 @@ O(0) 1.023e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.28 -126.14 -2.86 [13C]H4 @@ -46822,6 +47174,8 @@ O(0) 1.023e-13 O2(g) -10.40 -13.29 -2.89 O2 O[18O](g) -13.10 -15.99 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 76. @@ -47044,7 +47398,7 @@ O(0) 9.000e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.17 -126.03 -2.86 [13C]H4 @@ -47077,6 +47431,8 @@ O(0) 9.000e-14 O2(g) -10.46 -13.35 -2.89 O2 O[18O](g) -13.16 -16.05 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 77. @@ -47299,7 +47655,7 @@ O(0) 9.890e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -123.25 -126.11 -2.86 [13C]H4 @@ -47332,6 +47688,8 @@ O(0) 9.890e-14 O2(g) -10.41 -13.31 -2.89 O2 O[18O](g) -13.11 -16.01 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 78. @@ -47554,7 +47912,7 @@ O(0) 6.336e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.87 -125.73 -2.86 [13C]H4 @@ -47587,6 +47945,8 @@ O(0) 6.336e-14 O2(g) -10.61 -13.50 -2.89 O2 O[18O](g) -13.31 -16.20 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 79. @@ -47809,7 +48169,7 @@ O(0) 5.923e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.81 -125.67 -2.86 [13C]H4 @@ -47842,6 +48202,8 @@ O(0) 5.923e-14 O2(g) -10.64 -13.53 -2.89 O2 O[18O](g) -13.34 -16.23 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 80. @@ -48064,7 +48426,7 @@ O(0) 1.695e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.72 -124.58 -2.86 [13C]H4 @@ -48097,6 +48459,8 @@ O(0) 1.695e-14 O2(g) -11.18 -14.07 -2.89 O2 O[18O](g) -13.88 -16.77 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 81. @@ -48319,7 +48683,7 @@ O(0) 1.902e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.82 -124.68 -2.86 [13C]H4 @@ -48352,6 +48716,8 @@ O(0) 1.902e-14 O2(g) -11.13 -14.02 -2.89 O2 O[18O](g) -13.83 -16.72 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 82. @@ -48574,7 +48940,7 @@ O(0) 1.514e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -121.62 -124.48 -2.86 [13C]H4 @@ -48607,6 +48973,8 @@ O(0) 1.514e-14 O2(g) -11.23 -14.12 -2.89 O2 O[18O](g) -13.93 -16.82 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 83. @@ -48829,7 +49197,7 @@ O(0) 3.088e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.24 -125.10 -2.86 [13C]H4 @@ -48862,6 +49230,8 @@ O(0) 3.088e-14 O2(g) -10.92 -13.81 -2.89 O2 O[18O](g) -13.62 -16.51 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 84. @@ -49084,7 +49454,7 @@ O(0) 2.569e-14 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -122.08 -124.94 -2.86 [13C]H4 @@ -49117,6 +49487,8 @@ O(0) 2.569e-14 O2(g) -11.00 -13.89 -2.89 O2 O[18O](g) -13.70 -16.59 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 85. @@ -49339,7 +49711,7 @@ O(0) 1.691e-17 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -115.72 -118.58 -2.86 [13C]H4 @@ -49372,6 +49744,8 @@ O(0) 1.691e-17 O2(g) -14.18 -17.07 -2.89 O2 O[18O](g) -16.88 -19.77 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 86. @@ -49596,7 +49970,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -21.45 -24.31 -2.86 [13C]H4 @@ -49629,6 +50003,8 @@ O(0) 0.000e+00 O2(g) -61.32 -64.21 -2.89 O2 O[18O](g) -64.02 -66.91 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 87. @@ -49853,7 +50229,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -22.62 -25.48 -2.86 [13C]H4 @@ -49886,6 +50262,8 @@ O(0) 0.000e+00 O2(g) -60.73 -63.62 -2.89 O2 O[18O](g) -63.43 -66.32 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 88. @@ -50110,7 +50488,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -20.88 -23.74 -2.86 [13C]H4 @@ -50143,6 +50521,8 @@ O(0) 0.000e+00 O2(g) -61.60 -64.49 -2.89 O2 O[18O](g) -64.30 -67.19 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 89. @@ -50367,7 +50747,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.48 -21.34 -2.86 [13C]H4 @@ -50400,6 +50780,8 @@ O(0) 0.000e+00 O2(g) -62.80 -65.69 -2.89 O2 O[18O](g) -65.50 -68.39 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 90. @@ -50624,7 +51006,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -20.54 -23.40 -2.86 [13C]H4 @@ -50657,6 +51039,8 @@ O(0) 0.000e+00 O2(g) -61.77 -64.66 -2.89 O2 O[18O](g) -64.47 -67.36 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 91. @@ -50881,7 +51265,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -26.63 -29.49 -2.86 [13C]H4 @@ -50914,6 +51298,8 @@ O(0) 0.000e+00 O2(g) -58.72 -61.62 -2.89 O2 O[18O](g) -61.42 -64.32 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 92. @@ -51136,7 +51522,7 @@ O(0) 7.104e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -120.97 -123.83 -2.86 [13C]H4 @@ -51169,6 +51555,8 @@ O(0) 7.104e-15 O2(g) -11.56 -14.45 -2.89 O2 O[18O](g) -14.26 -17.15 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 93. @@ -51393,7 +51781,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.64 -21.50 -2.86 [13C]H4 @@ -51426,6 +51814,8 @@ O(0) 0.000e+00 O2(g) -62.72 -65.61 -2.89 O2 O[18O](g) -65.42 -68.31 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 94. @@ -51650,7 +52040,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.82 -21.68 -2.86 [13C]H4 @@ -51683,6 +52073,8 @@ O(0) 0.000e+00 O2(g) -62.63 -65.53 -2.89 O2 O[18O](g) -65.33 -68.23 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 95. @@ -51907,7 +52299,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -18.79 -21.65 -2.86 [13C]H4 @@ -51940,6 +52332,8 @@ O(0) 0.000e+00 O2(g) -62.65 -65.54 -2.89 O2 O[18O](g) -65.35 -68.24 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 96. @@ -52164,7 +52558,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -19.89 -22.75 -2.86 [13C]H4 @@ -52197,6 +52591,8 @@ O(0) 0.000e+00 O2(g) -62.10 -64.99 -2.89 O2 O[18O](g) -64.80 -67.69 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 97. @@ -52419,7 +52815,7 @@ O(0) 4.325e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.54 -127.40 -2.86 [13C]H4 @@ -52452,6 +52848,8 @@ O(0) 4.325e-13 O2(g) -9.77 -12.67 -2.89 O2 O[18O](g) -12.47 -15.37 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 98. @@ -52674,7 +53072,7 @@ O(0) 4.549e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.58 -127.44 -2.86 [13C]H4 @@ -52707,6 +53105,8 @@ O(0) 4.549e-13 O2(g) -9.75 -12.64 -2.89 O2 O[18O](g) -12.45 -15.34 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 99. @@ -52929,7 +53329,7 @@ O(0) 4.242e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.52 -127.38 -2.86 [13C]H4 @@ -52962,6 +53362,8 @@ O(0) 4.242e-13 O2(g) -9.78 -12.67 -2.89 O2 O[18O](g) -12.48 -15.37 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 100. @@ -53184,7 +53586,7 @@ O(0) 4.737e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) [13C][18O]2(g) -8.85 -10.36 -1.50 [13C][18O]2 [13C]H4(g) -124.62 -127.48 -2.86 [13C]H4 @@ -53217,6 +53619,8 @@ O(0) 4.737e-13 O2(g) -9.73 -12.63 -2.89 O2 O[18O](g) -12.43 -15.33 -2.89 O[18O] +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. diff --git a/ex21.out b/ex21.out index 6b5ed2be..0b6a784a 100644 --- a/ex21.out +++ b/ex21.out @@ -143,13 +143,15 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -7.60 -6.03 1.57 NaCl O2(g) -39.19 -42.08 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -516,7 +518,7 @@ Sr 5.050e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(296 K, 1 atm) + Phase SI** log IAP log K(296 K, 1 atm) Anhydrite -0.65 -4.91 -4.26 CaSO4 Aragonite -0.18 -8.50 -8.32 CaCO3 @@ -532,6 +534,8 @@ Sr 5.050e-04 Strontianite -0.94 -10.21 -9.27 SrCO3 Sylvite -4.55 -3.67 0.88 KCl +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -957,6 +961,6 @@ WARNING: No dispersivities were read; disp = 0 assumed. END END ------------------------------- -End of Run after 20.92 Seconds. +End of Run after 20.93 Seconds. ------------------------------- diff --git a/ex22.out b/ex22.out index e129eeb5..a2fa6990 100644 --- a/ex22.out +++ b/ex22.out @@ -102,12 +102,14 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 0.00 1.50 H2O O2(g) -39.19 -42.08 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -191,12 +193,14 @@ O(0) 5.019e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) H2(g) -35.79 -38.89 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 1.000 O2(g) -11.71 -14.60 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -279,7 +283,7 @@ O(0) 2.916e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 13 atm) + Phase SI** log IAP log K(298 K, 13 atm) CH4(g) -115.64 -118.49 -2.85 CH4 CO2(g) 1.09 -0.38 -1.47 CO2 Pressure 13.2 atm, phi 0.928 @@ -287,6 +291,8 @@ O(0) 2.916e-15 H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.878 O2(g) -11.94 -14.84 -2.90 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -369,7 +375,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 26 atm) + Phase SI** log IAP log K(298 K, 26 atm) CH4(g) -16.77 -19.63 -2.86 CH4 CO2(g) 1.35 -0.13 -1.47 CO2 Pressure 25.9 atm, phi 0.861 @@ -377,6 +383,8 @@ O(0) 0.000e+00 H2O(g) -1.50 -0.01 1.49 H2O Pressure 0.0 atm, phi 0.766 O2(g) -61.24 -64.15 -2.91 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -459,7 +467,7 @@ O(0) 1.107e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 37 atm) + Phase SI** log IAP log K(298 K, 37 atm) CH4(g) -114.43 -117.29 -2.86 CH4 CO2(g) 1.48 -0.00 -1.48 CO2 Pressure 37.4 atm, phi 0.802 @@ -467,6 +475,8 @@ O(0) 1.107e-15 H2O(g) -1.50 -0.01 1.49 H2O Pressure 0.0 atm, phi 0.665 O2(g) -12.34 -15.26 -2.91 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -549,7 +559,7 @@ O(0) 3.563e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 47 atm) + Phase SI** log IAP log K(298 K, 47 atm) CH4(g) -115.38 -118.25 -2.87 CH4 CO2(g) 1.55 0.06 -1.49 CO2 Pressure 47.2 atm, phi 0.752 @@ -557,6 +567,8 @@ O(0) 3.563e-15 H2O(g) -1.50 -0.01 1.49 H2O Pressure 0.1 atm, phi 0.578 O2(g) -11.83 -14.75 -2.92 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -639,7 +651,7 @@ O(0) 9.788e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 55 atm) + Phase SI** log IAP log K(298 K, 55 atm) CH4(g) -116.22 -119.09 -2.87 CH4 CO2(g) 1.59 0.10 -1.49 CO2 Pressure 54.9 atm, phi 0.713 @@ -647,6 +659,8 @@ O(0) 9.788e-15 H2O(g) -1.50 -0.01 1.49 H2O Pressure 0.1 atm, phi 0.506 O2(g) -11.39 -14.31 -2.92 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -729,7 +743,7 @@ O(0) 6.210e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 60 atm) + Phase SI** log IAP log K(298 K, 60 atm) CH4(g) -115.80 -118.68 -2.88 CH4 CO2(g) 1.62 0.12 -1.49 CO2 Pressure 60.3 atm, phi 0.684 @@ -737,6 +751,8 @@ O(0) 6.210e-15 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.447 O2(g) -11.58 -14.51 -2.92 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -819,7 +835,7 @@ O(0) 8.943e-16 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 64 atm) + Phase SI** log IAP log K(298 K, 64 atm) CH4(g) -114.11 -116.99 -2.88 CH4 CO2(g) 1.63 0.13 -1.49 CO2 Pressure 63.5 atm, phi 0.666 @@ -827,6 +843,8 @@ O(0) 8.943e-16 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.400 O2(g) -12.42 -15.35 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -916,7 +934,7 @@ O(0) 2.176e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 65 atm) + Phase SI** log IAP log K(298 K, 65 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.14 -1.49 CO2 Pressure 65.0 atm, phi 0.658 @@ -924,6 +942,8 @@ O(0) 2.176e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.363 O2(g) -6.04 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -1006,7 +1026,7 @@ O(0) 2.176e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 65 atm) + Phase SI** log IAP log K(298 K, 65 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.14 -1.49 CO2 Pressure 65.1 atm, phi 0.657 @@ -1014,6 +1034,8 @@ O(0) 2.176e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.333 O2(g) -6.04 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -1096,7 +1118,7 @@ O(0) 2.176e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 65 atm) + Phase SI** log IAP log K(298 K, 65 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.14 -1.49 CO2 Pressure 65.1 atm, phi 0.657 @@ -1104,6 +1126,8 @@ O(0) 2.176e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.305 O2(g) -6.04 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -1186,7 +1210,7 @@ O(0) 2.176e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 65 atm) + Phase SI** log IAP log K(298 K, 65 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.14 -1.49 CO2 Pressure 65.1 atm, phi 0.657 @@ -1194,6 +1218,8 @@ O(0) 2.176e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.280 O2(g) -6.04 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 13. @@ -1276,7 +1302,7 @@ O(0) 2.176e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 65 atm) + Phase SI** log IAP log K(298 K, 65 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.14 -1.49 CO2 Pressure 65.0 atm, phi 0.656 @@ -1284,6 +1310,8 @@ O(0) 2.176e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.257 O2(g) -6.04 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 14. @@ -1366,7 +1394,7 @@ O(0) 2.176e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 65 atm) + Phase SI** log IAP log K(298 K, 65 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.13 -1.49 CO2 Pressure 65.0 atm, phi 0.655 @@ -1374,6 +1402,8 @@ O(0) 2.176e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.236 O2(g) -6.04 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 15. @@ -1456,7 +1486,7 @@ O(0) 2.177e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 65 atm) + Phase SI** log IAP log K(298 K, 65 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.13 -1.49 CO2 Pressure 65.0 atm, phi 0.655 @@ -1464,6 +1494,8 @@ O(0) 2.177e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.217 O2(g) -6.04 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 16. @@ -1546,7 +1578,7 @@ O(0) 2.177e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 65 atm) + Phase SI** log IAP log K(298 K, 65 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.13 -1.49 CO2 Pressure 64.9 atm, phi 0.654 @@ -1554,6 +1586,8 @@ O(0) 2.177e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.2 atm, phi 0.200 O2(g) -6.04 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 17. @@ -1636,7 +1670,7 @@ O(0) 2.177e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 65 atm) + Phase SI** log IAP log K(298 K, 65 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.13 -1.49 CO2 Pressure 64.9 atm, phi 0.654 @@ -1644,6 +1678,8 @@ O(0) 2.177e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.2 atm, phi 0.184 O2(g) -6.04 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 18. @@ -1726,7 +1762,7 @@ O(0) 2.177e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 71 atm) + Phase SI** log IAP log K(298 K, 71 atm) CH4(g) -126.88 -129.76 -2.88 CH4 CO2(g) 1.63 0.14 -1.50 CO2 Pressure 70.4 atm, phi 0.612 @@ -1734,6 +1770,8 @@ O(0) 2.177e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.2 atm, phi 0.159 O2(g) -6.03 -8.96 -2.93 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 19. @@ -1816,7 +1854,7 @@ O(0) 2.177e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 80 atm) + Phase SI** log IAP log K(298 K, 80 atm) CH4(g) -126.87 -129.76 -2.89 CH4 CO2(g) 1.65 0.14 -1.50 CO2 Pressure 80.2 atm, phi 0.551 @@ -1824,6 +1862,8 @@ O(0) 2.177e-09 H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.2 atm, phi 0.131 O2(g) -6.03 -8.96 -2.94 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 20. @@ -1906,7 +1946,7 @@ O(0) 2.178e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 95 atm) + Phase SI** log IAP log K(298 K, 95 atm) CH4(g) -126.86 -129.76 -2.90 CH4 CO2(g) 1.66 0.15 -1.51 CO2 Pressure 94.5 atm, phi 0.484 @@ -1914,6 +1954,8 @@ O(0) 2.178e-09 H2O(g) -1.48 -0.01 1.47 H2O Pressure 0.3 atm, phi 0.106 O2(g) -6.02 -8.96 -2.94 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 21. @@ -1996,7 +2038,7 @@ O(0) 2.178e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 115 atm) + Phase SI** log IAP log K(298 K, 115 atm) CH4(g) -126.85 -129.76 -2.91 CH4 CO2(g) 1.68 0.16 -1.52 CO2 Pressure 114.2 atm, phi 0.419 @@ -2004,6 +2046,8 @@ O(0) 2.178e-09 H2O(g) -1.48 -0.01 1.47 H2O Pressure 0.4 atm, phi 0.084 O2(g) -6.01 -8.96 -2.95 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 22. @@ -2086,7 +2130,7 @@ O(0) 2.178e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 141 atm) + Phase SI** log IAP log K(298 K, 141 atm) CH4(g) -126.84 -129.76 -2.92 CH4 CO2(g) 1.70 0.17 -1.54 CO2 Pressure 140.5 atm, phi 0.360 @@ -2094,6 +2138,8 @@ O(0) 2.178e-09 H2O(g) -1.47 -0.01 1.46 H2O Pressure 0.5 atm, phi 0.066 O2(g) -6.00 -8.96 -2.97 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 23. @@ -2176,7 +2222,7 @@ O(0) 2.178e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 176 atm) + Phase SI** log IAP log K(298 K, 176 atm) CH4(g) -126.83 -129.77 -2.94 CH4 CO2(g) 1.73 0.18 -1.55 CO2 Pressure 175.1 atm, phi 0.310 @@ -2184,6 +2230,8 @@ O(0) 2.178e-09 H2O(g) -1.46 -0.01 1.45 H2O Pressure 0.7 atm, phi 0.052 O2(g) -5.98 -8.96 -2.99 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 24. @@ -2266,7 +2314,7 @@ O(0) 2.179e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 220 atm) + Phase SI** log IAP log K(298 K, 220 atm) CH4(g) -126.81 -129.78 -2.97 CH4 CO2(g) 1.77 0.19 -1.58 CO2 Pressure 219.5 atm, phi 0.270 @@ -2274,6 +2322,8 @@ O(0) 2.179e-09 H2O(g) -1.44 -0.01 1.43 H2O Pressure 0.9 atm, phi 0.041 O2(g) -5.95 -8.96 -3.01 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 25. @@ -2356,7 +2406,7 @@ O(0) 2.179e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 277 atm) + Phase SI** log IAP log K(298 K, 277 atm) CH4(g) -126.79 -129.79 -3.00 CH4 CO2(g) 1.82 0.21 -1.61 CO2 Pressure 276.0 atm, phi 0.238 @@ -2364,6 +2414,8 @@ O(0) 2.179e-09 H2O(g) -1.43 -0.01 1.42 H2O Pressure 1.1 atm, phi 0.033 O2(g) -5.92 -8.96 -3.04 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 26. @@ -2446,7 +2498,7 @@ O(0) 2.179e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 349 atm) + Phase SI** log IAP log K(298 K, 349 atm) CH4(g) -126.76 -129.81 -3.04 CH4 CO2(g) 1.87 0.22 -1.65 CO2 Pressure 347.3 atm, phi 0.215 @@ -2454,6 +2506,8 @@ O(0) 2.179e-09 H2O(g) -1.41 -0.01 1.39 H2O Pressure 1.4 atm, phi 0.027 O2(g) -5.89 -8.96 -3.08 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 27. @@ -2536,7 +2590,7 @@ O(0) 2.179e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 439 atm) + Phase SI** log IAP log K(298 K, 439 atm) CH4(g) -126.74 -129.83 -3.09 CH4 CO2(g) 1.94 0.24 -1.70 CO2 Pressure 437.1 atm, phi 0.200 @@ -2544,6 +2598,8 @@ O(0) 2.179e-09 H2O(g) -1.38 -0.01 1.36 H2O Pressure 1.8 atm, phi 0.023 O2(g) -5.84 -8.96 -3.12 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 28. @@ -2626,7 +2682,7 @@ O(0) 2.180e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 553 atm) + Phase SI** log IAP log K(298 K, 553 atm) CH4(g) -126.70 -129.86 -3.16 CH4 CO2(g) 2.02 0.26 -1.77 CO2 Pressure 550.3 atm, phi 0.191 @@ -2634,6 +2690,8 @@ O(0) 2.180e-09 H2O(g) -1.34 -0.01 1.33 H2O Pressure 2.3 atm, phi 0.019 O2(g) -5.78 -8.96 -3.18 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2734,12 +2792,14 @@ O(0) 2.744e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 0 atm) + Phase SI** log IAP log K(323 K, 0 atm) H2(g) -31.90 -35.04 -3.14 H2 H2O(g) -0.92 -0.00 0.92 H2O Pressure 0.1 atm, phi 0.998 O2(g) -11.83 -14.86 -3.03 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -2823,7 +2883,7 @@ O(0) 3.148e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 17 atm) + Phase SI** log IAP log K(323 K, 17 atm) CH4(g) -103.64 -106.64 -3.00 CH4 CO2(g) 1.20 -0.51 -1.71 CO2 Pressure 16.9 atm, phi 0.928 @@ -2831,6 +2891,8 @@ O(0) 3.148e-15 H2O(g) -0.91 -0.00 0.91 H2O Pressure 0.1 atm, phi 0.873 O2(g) -11.76 -14.80 -3.04 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -2914,7 +2976,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 33 atm) + Phase SI** log IAP log K(323 K, 33 atm) CH4(g) -19.14 -22.15 -3.00 CH4 CO2(g) 1.45 -0.26 -1.71 CO2 Pressure 32.7 atm, phi 0.864 @@ -2922,6 +2984,8 @@ O(0) 0.000e+00 H2O(g) -0.91 -0.00 0.91 H2O Pressure 0.2 atm, phi 0.761 O2(g) -53.89 -56.93 -3.05 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -3005,7 +3069,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 47 atm) + Phase SI** log IAP log K(323 K, 47 atm) CH4(g) -18.31 -21.32 -3.01 CH4 CO2(g) 1.58 -0.14 -1.72 CO2 Pressure 46.8 atm, phi 0.809 @@ -3013,6 +3077,8 @@ O(0) 0.000e+00 H2O(g) -0.91 -0.01 0.90 H2O Pressure 0.2 atm, phi 0.665 O2(g) -54.23 -57.29 -3.05 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -3096,7 +3162,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 59 atm) + Phase SI** log IAP log K(323 K, 59 atm) CH4(g) -18.57 -21.59 -3.02 CH4 CO2(g) 1.65 -0.07 -1.72 CO2 Pressure 59.0 atm, phi 0.762 @@ -3104,6 +3170,8 @@ O(0) 0.000e+00 H2O(g) -0.90 -0.01 0.90 H2O Pressure 0.2 atm, phi 0.582 O2(g) -54.06 -57.12 -3.06 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -3187,7 +3255,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 70 atm) + Phase SI** log IAP log K(323 K, 70 atm) CH4(g) -18.75 -21.77 -3.02 CH4 CO2(g) 1.70 -0.03 -1.73 CO2 Pressure 69.3 atm, phi 0.724 @@ -3195,6 +3263,8 @@ O(0) 0.000e+00 H2O(g) -0.90 -0.01 0.90 H2O Pressure 0.2 atm, phi 0.513 O2(g) -53.95 -57.02 -3.07 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -3278,7 +3348,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 78 atm) + Phase SI** log IAP log K(323 K, 78 atm) CH4(g) -16.81 -19.83 -3.03 CH4 CO2(g) 1.73 0.00 -1.73 CO2 Pressure 77.7 atm, phi 0.693 @@ -3286,6 +3356,8 @@ O(0) 0.000e+00 H2O(g) -0.90 -0.01 0.89 H2O Pressure 0.3 atm, phi 0.455 O2(g) -54.90 -57.97 -3.07 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -3369,7 +3441,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 85 atm) + Phase SI** log IAP log K(323 K, 85 atm) CH4(g) -17.07 -20.10 -3.03 CH4 CO2(g) 1.75 0.02 -1.73 CO2 Pressure 84.6 atm, phi 0.668 @@ -3377,6 +3449,8 @@ O(0) 0.000e+00 H2O(g) -0.90 -0.01 0.89 H2O Pressure 0.3 atm, phi 0.406 O2(g) -54.76 -57.83 -3.07 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -3460,7 +3534,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 91 atm) + Phase SI** log IAP log K(323 K, 91 atm) CH4(g) -17.39 -20.42 -3.04 CH4 CO2(g) 1.77 0.03 -1.74 CO2 Pressure 90.2 atm, phi 0.648 @@ -3468,6 +3542,8 @@ O(0) 0.000e+00 H2O(g) -0.90 -0.01 0.89 H2O Pressure 0.3 atm, phi 0.364 O2(g) -54.59 -57.67 -3.08 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -3551,7 +3627,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 95 atm) + Phase SI** log IAP log K(323 K, 95 atm) CH4(g) -18.73 -21.77 -3.04 CH4 CO2(g) 1.78 0.04 -1.74 CO2 Pressure 95.0 atm, phi 0.630 @@ -3559,6 +3635,8 @@ O(0) 0.000e+00 H2O(g) -0.90 -0.01 0.89 H2O Pressure 0.4 atm, phi 0.328 O2(g) -53.91 -56.99 -3.08 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -3642,7 +3720,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 100 atm) + Phase SI** log IAP log K(323 K, 100 atm) CH4(g) -18.09 -21.13 -3.04 CH4 CO2(g) 1.79 0.05 -1.74 CO2 Pressure 99.4 atm, phi 0.615 @@ -3650,6 +3728,8 @@ O(0) 0.000e+00 H2O(g) -0.89 -0.01 0.89 H2O Pressure 0.4 atm, phi 0.296 O2(g) -54.23 -57.31 -3.08 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -3733,7 +3813,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 104 atm) + Phase SI** log IAP log K(323 K, 104 atm) CH4(g) -17.68 -20.72 -3.04 CH4 CO2(g) 1.79 0.05 -1.74 CO2 Pressure 103.8 atm, phi 0.599 @@ -3741,6 +3821,8 @@ O(0) 0.000e+00 H2O(g) -0.89 -0.01 0.89 H2O Pressure 0.5 atm, phi 0.267 O2(g) -54.43 -57.51 -3.08 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 13. @@ -3824,7 +3906,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 109 atm) + Phase SI** log IAP log K(323 K, 109 atm) CH4(g) -17.10 -20.15 -3.04 CH4 CO2(g) 1.80 0.06 -1.74 CO2 Pressure 108.7 atm, phi 0.582 @@ -3832,6 +3914,8 @@ O(0) 0.000e+00 H2O(g) -0.89 -0.01 0.88 H2O Pressure 0.5 atm, phi 0.241 O2(g) -54.71 -57.80 -3.09 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 14. @@ -3915,7 +3999,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 115 atm) + Phase SI** log IAP log K(323 K, 115 atm) CH4(g) -17.69 -20.74 -3.05 CH4 CO2(g) 1.81 0.06 -1.75 CO2 Pressure 114.6 atm, phi 0.563 @@ -3923,6 +4007,8 @@ O(0) 0.000e+00 H2O(g) -0.89 -0.01 0.88 H2O Pressure 0.6 atm, phi 0.216 O2(g) -54.41 -57.50 -3.09 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 15. @@ -4006,7 +4092,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 123 atm) + Phase SI** log IAP log K(323 K, 123 atm) CH4(g) -16.75 -19.81 -3.05 CH4 CO2(g) 1.82 0.07 -1.75 CO2 Pressure 122.0 atm, phi 0.542 @@ -4014,6 +4100,8 @@ O(0) 0.000e+00 H2O(g) -0.89 -0.01 0.88 H2O Pressure 0.7 atm, phi 0.192 O2(g) -54.87 -57.97 -3.09 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 16. @@ -4097,7 +4185,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 132 atm) + Phase SI** log IAP log K(323 K, 132 atm) CH4(g) -17.71 -20.77 -3.06 CH4 CO2(g) 1.83 0.08 -1.75 CO2 Pressure 131.5 atm, phi 0.516 @@ -4105,6 +4193,8 @@ O(0) 0.000e+00 H2O(g) -0.89 -0.01 0.88 H2O Pressure 0.8 atm, phi 0.169 O2(g) -54.38 -57.48 -3.10 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 17. @@ -4188,7 +4278,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 145 atm) + Phase SI** log IAP log K(323 K, 145 atm) CH4(g) -16.48 -19.54 -3.06 CH4 CO2(g) 1.85 0.09 -1.76 CO2 Pressure 143.7 atm, phi 0.488 @@ -4196,6 +4286,8 @@ O(0) 0.000e+00 H2O(g) -0.88 -0.01 0.87 H2O Pressure 0.9 atm, phi 0.148 O2(g) -54.99 -58.09 -3.10 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 18. @@ -4279,7 +4371,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 160 atm) + Phase SI** log IAP log K(323 K, 160 atm) CH4(g) -16.77 -19.84 -3.07 CH4 CO2(g) 1.86 0.10 -1.77 CO2 Pressure 159.3 atm, phi 0.457 @@ -4287,6 +4379,8 @@ O(0) 0.000e+00 H2O(g) -0.88 -0.01 0.87 H2O Pressure 1.0 atm, phi 0.129 O2(g) -54.83 -57.95 -3.11 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 19. @@ -4370,7 +4464,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 180 atm) + Phase SI** log IAP log K(323 K, 180 atm) CH4(g) -17.88 -20.96 -3.08 CH4 CO2(g) 1.88 0.11 -1.78 CO2 Pressure 179.3 atm, phi 0.426 @@ -4378,6 +4472,8 @@ O(0) 0.000e+00 H2O(g) -0.87 -0.01 0.86 H2O Pressure 1.2 atm, phi 0.111 O2(g) -54.26 -57.39 -3.12 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 20. @@ -4461,7 +4557,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 206 atm) + Phase SI** log IAP log K(323 K, 206 atm) CH4(g) -17.92 -21.02 -3.10 CH4 CO2(g) 1.91 0.12 -1.79 CO2 Pressure 204.4 atm, phi 0.395 @@ -4469,6 +4565,8 @@ O(0) 0.000e+00 H2O(g) -0.87 -0.01 0.86 H2O Pressure 1.4 atm, phi 0.095 O2(g) -54.22 -57.36 -3.14 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 21. @@ -4552,7 +4650,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 238 atm) + Phase SI** log IAP log K(323 K, 238 atm) CH4(g) -16.93 -20.04 -3.11 CH4 CO2(g) 1.94 0.13 -1.80 CO2 Pressure 235.9 atm, phi 0.365 @@ -4560,6 +4658,8 @@ O(0) 0.000e+00 H2O(g) -0.86 -0.01 0.85 H2O Pressure 1.7 atm, phi 0.081 O2(g) -54.70 -57.85 -3.15 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 22. @@ -4650,7 +4750,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 277 atm) + Phase SI** log IAP log K(323 K, 277 atm) CH4(g) -17.79 -20.92 -3.13 CH4 CO2(g) 1.97 0.15 -1.82 CO2 Pressure 275.1 atm, phi 0.339 @@ -4658,6 +4758,8 @@ O(0) 0.000e+00 H2O(g) -0.84 -0.01 0.83 H2O Pressure 2.1 atm, phi 0.069 O2(g) -54.24 -57.41 -3.17 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 23. @@ -4741,7 +4843,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 326 atm) + Phase SI** log IAP log K(323 K, 326 atm) CH4(g) -17.23 -20.39 -3.16 CH4 CO2(g) 2.01 0.16 -1.85 CO2 Pressure 323.5 atm, phi 0.316 @@ -4749,6 +4851,8 @@ O(0) 0.000e+00 H2O(g) -0.83 -0.01 0.82 H2O Pressure 2.5 atm, phi 0.059 O2(g) -54.48 -57.68 -3.20 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 24. @@ -4832,7 +4936,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 386 atm) + Phase SI** log IAP log K(323 K, 386 atm) CH4(g) -18.12 -21.32 -3.19 CH4 CO2(g) 2.06 0.18 -1.88 CO2 Pressure 383.3 atm, phi 0.297 @@ -4840,6 +4944,8 @@ O(0) 0.000e+00 H2O(g) -0.81 -0.01 0.80 H2O Pressure 3.0 atm, phi 0.051 O2(g) -54.00 -57.22 -3.23 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 25. @@ -4923,7 +5029,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 461 atm) + Phase SI** log IAP log K(323 K, 461 atm) CH4(g) -18.40 -21.63 -3.23 CH4 CO2(g) 2.11 0.19 -1.92 CO2 Pressure 457.0 atm, phi 0.283 @@ -4931,6 +5037,8 @@ O(0) 0.000e+00 H2O(g) -0.79 -0.01 0.78 H2O Pressure 3.6 atm, phi 0.044 O2(g) -53.81 -57.07 -3.26 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 26. @@ -5014,7 +5122,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 553 atm) + Phase SI** log IAP log K(323 K, 553 atm) CH4(g) -16.51 -19.79 -3.28 CH4 CO2(g) 2.18 0.21 -1.97 CO2 Pressure 548.1 atm, phi 0.274 @@ -5022,6 +5130,8 @@ O(0) 0.000e+00 H2O(g) -0.77 -0.01 0.75 H2O Pressure 4.4 atm, phi 0.039 O2(g) -54.70 -58.00 -3.31 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 27. @@ -5105,7 +5215,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 667 atm) + Phase SI** log IAP log K(323 K, 667 atm) CH4(g) -19.27 -22.61 -3.34 CH4 CO2(g) 2.25 0.22 -2.03 CO2 Pressure 661.5 atm, phi 0.272 @@ -5113,6 +5223,8 @@ O(0) 0.000e+00 H2O(g) -0.73 -0.01 0.72 H2O Pressure 5.3 atm, phi 0.035 O2(g) -53.24 -56.61 -3.36 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 28. @@ -5196,7 +5308,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(323 K, 811 atm) + Phase SI** log IAP log K(323 K, 811 atm) CH4(g) -16.95 -20.37 -3.42 CH4 CO2(g) 2.35 0.23 -2.12 CO2 Pressure 804.4 atm, phi 0.278 @@ -5204,6 +5316,8 @@ O(0) 0.000e+00 H2O(g) -0.69 -0.01 0.68 H2O Pressure 6.4 atm, phi 0.032 O2(g) -54.31 -57.75 -3.43 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -5304,12 +5418,14 @@ O(0) 2.745e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 0 atm) + Phase SI** log IAP log K(348 K, 0 atm) H2(g) -28.72 -31.85 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O Pressure 0.4 atm, phi 0.996 O2(g) -11.76 -14.86 -3.10 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -5393,7 +5509,7 @@ O(0) 2.232e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 20 atm) + Phase SI** log IAP log K(348 K, 20 atm) CH4(g) -93.23 -96.29 -3.06 CH4 CO2(g) 1.27 -0.60 -1.86 CO2 Pressure 19.8 atm, phi 0.933 @@ -5401,6 +5517,8 @@ O(0) 2.232e-15 H2O(g) -0.42 -0.00 0.42 H2O Pressure 0.4 atm, phi 0.875 O2(g) -11.84 -14.95 -3.11 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -5484,7 +5602,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 39 atm) + Phase SI** log IAP log K(348 K, 39 atm) CH4(g) -21.95 -25.02 -3.07 CH4 CO2(g) 1.52 -0.35 -1.87 CO2 Pressure 38.2 atm, phi 0.875 @@ -5492,6 +5610,8 @@ O(0) 0.000e+00 H2O(g) -0.42 -0.00 0.41 H2O Pressure 0.5 atm, phi 0.769 O2(g) -47.35 -50.47 -3.12 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -5575,7 +5695,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 55 atm) + Phase SI** log IAP log K(348 K, 55 atm) CH4(g) -21.26 -24.34 -3.08 CH4 CO2(g) 1.66 -0.22 -1.88 CO2 Pressure 54.9 atm, phi 0.825 @@ -5583,6 +5703,8 @@ O(0) 0.000e+00 H2O(g) -0.41 -0.00 0.41 H2O Pressure 0.6 atm, phi 0.678 O2(g) -47.63 -50.75 -3.13 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -5666,7 +5788,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 70 atm) + Phase SI** log IAP log K(348 K, 70 atm) CH4(g) -20.93 -24.02 -3.09 CH4 CO2(g) 1.74 -0.15 -1.88 CO2 Pressure 69.8 atm, phi 0.782 @@ -5674,6 +5796,8 @@ O(0) 0.000e+00 H2O(g) -0.41 -0.01 0.40 H2O Pressure 0.7 atm, phi 0.600 O2(g) -47.75 -50.88 -3.13 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -5757,7 +5881,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 84 atm) + Phase SI** log IAP log K(348 K, 84 atm) CH4(g) -21.38 -24.47 -3.10 CH4 CO2(g) 1.79 -0.10 -1.89 CO2 Pressure 83.1 atm, phi 0.745 @@ -5765,6 +5889,8 @@ O(0) 0.000e+00 H2O(g) -0.41 -0.01 0.40 H2O Pressure 0.7 atm, phi 0.533 O2(g) -47.49 -50.63 -3.14 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -5848,7 +5974,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 96 atm) + Phase SI** log IAP log K(348 K, 96 atm) CH4(g) -20.05 -23.15 -3.10 CH4 CO2(g) 1.83 -0.06 -1.89 CO2 Pressure 94.9 atm, phi 0.714 @@ -5856,6 +5982,8 @@ O(0) 0.000e+00 H2O(g) -0.40 -0.01 0.40 H2O Pressure 0.8 atm, phi 0.475 O2(g) -48.14 -51.28 -3.15 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -5939,7 +6067,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 107 atm) + Phase SI** log IAP log K(348 K, 107 atm) CH4(g) -20.00 -23.11 -3.11 CH4 CO2(g) 1.86 -0.04 -1.90 CO2 Pressure 105.6 atm, phi 0.686 @@ -5947,6 +6075,8 @@ O(0) 0.000e+00 H2O(g) -0.40 -0.01 0.39 H2O Pressure 0.9 atm, phi 0.426 O2(g) -48.14 -51.29 -3.15 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -6030,7 +6160,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 117 atm) + Phase SI** log IAP log K(348 K, 117 atm) CH4(g) -19.86 -22.97 -3.11 CH4 CO2(g) 1.88 -0.02 -1.90 CO2 Pressure 115.5 atm, phi 0.662 @@ -6038,6 +6168,8 @@ O(0) 0.000e+00 H2O(g) -0.40 -0.01 0.39 H2O Pressure 1.0 atm, phi 0.382 O2(g) -48.20 -51.35 -3.16 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -6121,7 +6253,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 126 atm) + Phase SI** log IAP log K(348 K, 126 atm) CH4(g) -20.52 -23.64 -3.12 CH4 CO2(g) 1.90 -0.00 -1.90 CO2 Pressure 125.1 atm, phi 0.639 @@ -6129,6 +6261,8 @@ O(0) 0.000e+00 H2O(g) -0.40 -0.01 0.39 H2O Pressure 1.2 atm, phi 0.344 O2(g) -47.86 -51.02 -3.16 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -6212,7 +6346,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 136 atm) + Phase SI** log IAP log K(348 K, 136 atm) CH4(g) -20.67 -23.80 -3.12 CH4 CO2(g) 1.92 0.01 -1.91 CO2 Pressure 134.7 atm, phi 0.618 @@ -6220,6 +6354,8 @@ O(0) 0.000e+00 H2O(g) -0.39 -0.01 0.39 H2O Pressure 1.3 atm, phi 0.309 O2(g) -47.77 -50.93 -3.17 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -6303,7 +6439,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 146 atm) + Phase SI** log IAP log K(348 K, 146 atm) CH4(g) -20.03 -23.15 -3.13 CH4 CO2(g) 1.94 0.03 -1.91 CO2 Pressure 144.8 atm, phi 0.597 @@ -6311,6 +6447,8 @@ O(0) 0.000e+00 H2O(g) -0.39 -0.01 0.38 H2O Pressure 1.5 atm, phi 0.278 O2(g) -48.08 -51.25 -3.17 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 13. @@ -6394,7 +6532,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 157 atm) + Phase SI** log IAP log K(348 K, 157 atm) CH4(g) -20.54 -23.67 -3.13 CH4 CO2(g) 1.95 0.04 -1.92 CO2 Pressure 155.8 atm, phi 0.576 @@ -6402,6 +6540,8 @@ O(0) 0.000e+00 H2O(g) -0.39 -0.01 0.38 H2O Pressure 1.6 atm, phi 0.250 O2(g) -47.81 -50.99 -3.18 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 14. @@ -6485,7 +6625,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 170 atm) + Phase SI** log IAP log K(348 K, 170 atm) CH4(g) -21.19 -24.33 -3.14 CH4 CO2(g) 1.97 0.05 -1.92 CO2 Pressure 168.2 atm, phi 0.555 @@ -6493,6 +6633,8 @@ O(0) 0.000e+00 H2O(g) -0.38 -0.01 0.38 H2O Pressure 1.8 atm, phi 0.224 O2(g) -47.48 -50.66 -3.18 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 15. @@ -6576,7 +6718,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 185 atm) + Phase SI** log IAP log K(348 K, 185 atm) CH4(g) -20.48 -23.62 -3.14 CH4 CO2(g) 1.99 0.06 -1.93 CO2 Pressure 182.6 atm, phi 0.533 @@ -6584,6 +6726,8 @@ O(0) 0.000e+00 H2O(g) -0.38 -0.01 0.37 H2O Pressure 2.1 atm, phi 0.200 O2(g) -47.82 -51.01 -3.19 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 16. @@ -6667,7 +6811,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 202 atm) + Phase SI** log IAP log K(348 K, 202 atm) CH4(g) -18.99 -22.14 -3.15 CH4 CO2(g) 2.01 0.07 -1.93 CO2 Pressure 199.7 atm, phi 0.510 @@ -6675,6 +6819,8 @@ O(0) 0.000e+00 H2O(g) -0.38 -0.01 0.37 H2O Pressure 2.4 atm, phi 0.178 O2(g) -48.55 -51.75 -3.20 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 17. @@ -6758,7 +6904,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 223 atm) + Phase SI** log IAP log K(348 K, 223 atm) CH4(g) -18.33 -21.49 -3.16 CH4 CO2(g) 2.03 0.09 -1.94 CO2 Pressure 219.9 atm, phi 0.487 @@ -6766,6 +6912,8 @@ O(0) 0.000e+00 H2O(g) -0.37 -0.01 0.36 H2O Pressure 2.7 atm, phi 0.158 O2(g) -48.87 -52.07 -3.21 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 18. @@ -6849,7 +6997,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 247 atm) + Phase SI** log IAP log K(348 K, 247 atm) CH4(g) -18.53 -21.71 -3.18 CH4 CO2(g) 2.05 0.10 -1.95 CO2 Pressure 244.2 atm, phi 0.464 @@ -6857,6 +7005,8 @@ O(0) 0.000e+00 H2O(g) -0.36 -0.01 0.35 H2O Pressure 3.1 atm, phi 0.140 O2(g) -48.74 -51.96 -3.22 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 19. @@ -6940,7 +7090,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 277 atm) + Phase SI** log IAP log K(348 K, 277 atm) CH4(g) -18.64 -21.83 -3.19 CH4 CO2(g) 2.08 0.12 -1.97 CO2 Pressure 273.4 atm, phi 0.441 @@ -6948,6 +7098,8 @@ O(0) 0.000e+00 H2O(g) -0.36 -0.01 0.35 H2O Pressure 3.6 atm, phi 0.123 O2(g) -48.67 -51.90 -3.23 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 20. @@ -7031,7 +7183,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 313 atm) + Phase SI** log IAP log K(348 K, 313 atm) CH4(g) -18.06 -21.26 -3.21 CH4 CO2(g) 2.11 0.13 -1.98 CO2 Pressure 308.4 atm, phi 0.421 @@ -7039,6 +7191,8 @@ O(0) 0.000e+00 H2O(g) -0.35 -0.01 0.34 H2O Pressure 4.1 atm, phi 0.109 O2(g) -48.93 -52.18 -3.25 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 21. @@ -7129,7 +7283,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 355 atm) + Phase SI** log IAP log K(348 K, 355 atm) CH4(g) -18.54 -21.77 -3.23 CH4 CO2(g) 2.15 0.15 -2.00 CO2 Pressure 350.6 atm, phi 0.402 @@ -7137,6 +7291,8 @@ O(0) 0.000e+00 H2O(g) -0.34 -0.01 0.32 H2O Pressure 4.8 atm, phi 0.096 O2(g) -48.66 -51.94 -3.27 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 22. @@ -7220,7 +7376,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 407 atm) + Phase SI** log IAP log K(348 K, 407 atm) CH4(g) -18.73 -21.98 -3.25 CH4 CO2(g) 2.19 0.16 -2.03 CO2 Pressure 401.5 atm, phi 0.385 @@ -7228,6 +7384,8 @@ O(0) 0.000e+00 H2O(g) -0.32 -0.01 0.31 H2O Pressure 5.6 atm, phi 0.085 O2(g) -48.53 -51.83 -3.30 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 23. @@ -7311,7 +7469,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 469 atm) + Phase SI** log IAP log K(348 K, 469 atm) CH4(g) -9.48 -12.76 -3.28 CH4 CO2(g) 2.24 0.18 -2.06 CO2 Pressure 462.7 atm, phi 0.373 @@ -7319,6 +7477,8 @@ O(0) 0.000e+00 H2O(g) -0.31 -0.01 0.29 H2O Pressure 6.5 atm, phi 0.076 O2(g) -53.12 -56.45 -3.32 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 24. @@ -7402,7 +7562,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 544 atm) + Phase SI** log IAP log K(348 K, 544 atm) CH4(g) -9.37 -12.69 -3.32 CH4 CO2(g) 2.29 0.19 -2.10 CO2 Pressure 536.8 atm, phi 0.364 @@ -7410,6 +7570,8 @@ O(0) 0.000e+00 H2O(g) -0.29 -0.01 0.27 H2O Pressure 7.6 atm, phi 0.068 O2(g) -53.13 -56.49 -3.36 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 25. @@ -7493,7 +7655,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 636 atm) + Phase SI** log IAP log K(348 K, 636 atm) CH4(g) -9.25 -12.61 -3.37 CH4 CO2(g) 2.35 0.21 -2.14 CO2 Pressure 627.0 atm, phi 0.360 @@ -7501,6 +7663,8 @@ O(0) 0.000e+00 H2O(g) -0.26 -0.01 0.25 H2O Pressure 8.8 atm, phi 0.062 O2(g) -53.13 -56.54 -3.40 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 26. @@ -7584,7 +7748,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 748 atm) + Phase SI** log IAP log K(348 K, 748 atm) CH4(g) -8.33 -11.75 -3.42 CH4 CO2(g) 2.43 0.22 -2.21 CO2 Pressure 737.5 atm, phi 0.363 @@ -7592,6 +7756,8 @@ O(0) 0.000e+00 H2O(g) -0.23 -0.01 0.22 H2O Pressure 10.3 atm, phi 0.057 O2(g) -53.53 -56.98 -3.45 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 27. @@ -7675,7 +7841,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 887 atm) + Phase SI** log IAP log K(348 K, 887 atm) CH4(g) -8.22 -11.71 -3.49 CH4 CO2(g) 2.52 0.23 -2.29 CO2 Pressure 875.1 atm, phi 0.375 @@ -7683,6 +7849,8 @@ O(0) 0.000e+00 H2O(g) -0.20 -0.01 0.18 H2O Pressure 12.0 atm, phi 0.053 O2(g) -53.50 -57.01 -3.52 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 28. @@ -7766,7 +7934,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(348 K, 1064 atm) + Phase SI** log IAP log K(348 K, 1064 atm) CH4(g) -8.10 -11.67 -3.58 CH4 CO2(g) 2.62 0.23 -2.40 CO2 Pressure 1050.4 atm, phi 0.401 @@ -7774,6 +7942,8 @@ O(0) 0.000e+00 H2O(g) -0.15 -0.01 0.14 H2O Pressure 14.0 atm, phi 0.051 O2(g) -53.46 -57.06 -3.60 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -7874,12 +8044,14 @@ O(0) 2.746e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 1 atm) + Phase SI** log IAP log K(373 K, 1 atm) H2(g) -25.99 -29.09 -3.10 H2 H2O(g) -0.00 -0.00 0.00 H2O Pressure 1.0 atm, phi 0.991 O2(g) -11.75 -14.86 -3.11 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -7963,7 +8135,7 @@ O(0) 2.541e-15 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 23 atm) + Phase SI** log IAP log K(373 K, 23 atm) CH4(g) -84.75 -87.82 -3.07 CH4 CO2(g) 1.32 -0.65 -1.97 CO2 Pressure 22.2 atm, phi 0.939 @@ -7971,6 +8143,8 @@ O(0) 2.541e-15 H2O(g) -0.00 -0.00 -0.00 H2O Pressure 1.1 atm, phi 0.877 O2(g) -11.77 -14.90 -3.13 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -8054,7 +8228,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 44 atm) + Phase SI** log IAP log K(373 K, 44 atm) CH4(g) -24.10 -27.18 -3.08 CH4 CO2(g) 1.58 -0.39 -1.97 CO2 Pressure 42.8 atm, phi 0.888 @@ -8062,6 +8236,8 @@ O(0) 0.000e+00 H2O(g) 0.00 -0.00 -0.01 H2O Pressure 1.3 atm, phi 0.779 O2(g) -41.96 -45.09 -3.14 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -8145,7 +8321,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 63 atm) + Phase SI** log IAP log K(373 K, 63 atm) CH4(g) -24.42 -27.51 -3.09 CH4 CO2(g) 1.72 -0.26 -1.98 CO2 Pressure 62.0 atm, phi 0.843 @@ -8153,6 +8329,8 @@ O(0) 0.000e+00 H2O(g) 0.01 -0.00 -0.01 H2O Pressure 1.5 atm, phi 0.694 O2(g) -41.73 -44.87 -3.14 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -8236,7 +8414,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 81 atm) + Phase SI** log IAP log K(373 K, 81 atm) CH4(g) -24.67 -27.77 -3.10 CH4 CO2(g) 1.81 -0.18 -1.99 CO2 Pressure 79.6 atm, phi 0.804 @@ -8244,6 +8422,8 @@ O(0) 0.000e+00 H2O(g) 0.01 -0.00 -0.02 H2O Pressure 1.7 atm, phi 0.620 O2(g) -41.55 -44.71 -3.15 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -8327,7 +8507,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 98 atm) + Phase SI** log IAP log K(373 K, 98 atm) CH4(g) -24.39 -27.50 -3.11 CH4 CO2(g) 1.87 -0.12 -1.99 CO2 Pressure 95.8 atm, phi 0.770 @@ -8335,6 +8515,8 @@ O(0) 0.000e+00 H2O(g) 0.02 -0.01 -0.02 H2O Pressure 1.9 atm, phi 0.556 O2(g) -41.66 -44.82 -3.16 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -8418,7 +8600,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 113 atm) + Phase SI** log IAP log K(373 K, 113 atm) CH4(g) -22.92 -26.03 -3.12 CH4 CO2(g) 1.91 -0.08 -2.00 CO2 Pressure 111.0 atm, phi 0.740 @@ -8426,6 +8608,8 @@ O(0) 0.000e+00 H2O(g) 0.02 -0.01 -0.02 H2O Pressure 2.1 atm, phi 0.499 O2(g) -42.37 -45.54 -3.17 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -8509,7 +8693,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 128 atm) + Phase SI** log IAP log K(373 K, 128 atm) CH4(g) -22.52 -25.64 -3.12 CH4 CO2(g) 1.95 -0.05 -2.00 CO2 Pressure 125.5 atm, phi 0.713 @@ -8517,6 +8701,8 @@ O(0) 0.000e+00 H2O(g) 0.02 -0.01 -0.03 H2O Pressure 2.3 atm, phi 0.450 O2(g) -42.54 -45.72 -3.17 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -8600,7 +8786,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 142 atm) + Phase SI** log IAP log K(373 K, 142 atm) CH4(g) -21.95 -25.08 -3.13 CH4 CO2(g) 1.98 -0.02 -2.01 CO2 Pressure 139.6 atm, phi 0.688 @@ -8608,6 +8794,8 @@ O(0) 0.000e+00 H2O(g) 0.03 -0.01 -0.03 H2O Pressure 2.6 atm, phi 0.406 O2(g) -42.81 -45.99 -3.18 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -8691,7 +8879,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 157 atm) + Phase SI** log IAP log K(373 K, 157 atm) CH4(g) -21.84 -24.97 -3.14 CH4 CO2(g) 2.01 -0.00 -2.01 CO2 Pressure 153.6 atm, phi 0.666 @@ -8699,6 +8887,8 @@ O(0) 0.000e+00 H2O(g) 0.03 -0.01 -0.04 H2O Pressure 2.9 atm, phi 0.367 O2(g) -42.85 -46.04 -3.19 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -8782,7 +8972,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 171 atm) + Phase SI** log IAP log K(373 K, 171 atm) CH4(g) -22.26 -25.40 -3.14 CH4 CO2(g) 2.03 0.02 -2.02 CO2 Pressure 168.1 atm, phi 0.644 @@ -8790,6 +8980,8 @@ O(0) 0.000e+00 H2O(g) 0.03 -0.01 -0.04 H2O Pressure 3.3 atm, phi 0.331 O2(g) -42.63 -45.82 -3.20 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -8873,7 +9065,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 187 atm) + Phase SI** log IAP log K(373 K, 187 atm) CH4(g) -22.20 -25.35 -3.15 CH4 CO2(g) 2.06 0.04 -2.02 CO2 Pressure 183.5 atm, phi 0.623 @@ -8881,6 +9073,8 @@ O(0) 0.000e+00 H2O(g) 0.04 -0.01 -0.04 H2O Pressure 3.6 atm, phi 0.300 O2(g) -42.63 -45.84 -3.20 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 13. @@ -8964,7 +9158,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 204 atm) + Phase SI** log IAP log K(373 K, 204 atm) CH4(g) -22.78 -25.94 -3.16 CH4 CO2(g) 2.08 0.05 -2.03 CO2 Pressure 200.2 atm, phi 0.602 @@ -8972,6 +9166,8 @@ O(0) 0.000e+00 H2O(g) 0.04 -0.01 -0.05 H2O Pressure 4.1 atm, phi 0.271 O2(g) -42.33 -45.54 -3.21 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 14. @@ -9055,7 +9251,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 223 atm) + Phase SI** log IAP log K(373 K, 223 atm) CH4(g) -22.42 -25.58 -3.17 CH4 CO2(g) 2.10 0.07 -2.04 CO2 Pressure 218.7 atm, phi 0.582 @@ -9063,6 +9259,8 @@ O(0) 0.000e+00 H2O(g) 0.04 -0.01 -0.05 H2O Pressure 4.5 atm, phi 0.244 O2(g) -42.50 -45.71 -3.22 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 15. @@ -9146,7 +9344,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 245 atm) + Phase SI** log IAP log K(373 K, 245 atm) CH4(g) -21.98 -25.16 -3.18 CH4 CO2(g) 2.13 0.08 -2.05 CO2 Pressure 239.6 atm, phi 0.562 @@ -9154,6 +9352,8 @@ O(0) 0.000e+00 H2O(g) 0.05 -0.01 -0.06 H2O Pressure 5.1 atm, phi 0.220 O2(g) -42.70 -45.93 -3.23 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 16. @@ -9237,7 +9437,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 269 atm) + Phase SI** log IAP log K(373 K, 269 atm) CH4(g) -21.44 -24.63 -3.19 CH4 CO2(g) 2.16 0.10 -2.05 CO2 Pressure 263.6 atm, phi 0.543 @@ -9245,6 +9445,8 @@ O(0) 0.000e+00 H2O(g) 0.06 -0.01 -0.07 H2O Pressure 5.7 atm, phi 0.198 O2(g) -42.95 -46.19 -3.24 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 17. @@ -9328,7 +9530,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 298 atm) + Phase SI** log IAP log K(373 K, 298 atm) CH4(g) -20.88 -24.08 -3.20 CH4 CO2(g) 2.18 0.12 -2.07 CO2 Pressure 291.2 atm, phi 0.524 @@ -9336,6 +9538,8 @@ O(0) 0.000e+00 H2O(g) 0.06 -0.01 -0.07 H2O Pressure 6.5 atm, phi 0.179 O2(g) -43.21 -46.46 -3.25 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 18. @@ -9419,7 +9623,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 331 atm) + Phase SI** log IAP log K(373 K, 331 atm) CH4(g) -20.79 -24.01 -3.22 CH4 CO2(g) 2.21 0.13 -2.08 CO2 Pressure 323.4 atm, phi 0.507 @@ -9427,6 +9631,8 @@ O(0) 0.000e+00 H2O(g) 0.07 -0.01 -0.08 H2O Pressure 7.3 atm, phi 0.161 O2(g) -43.23 -46.50 -3.27 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 19. @@ -9510,7 +9716,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 369 atm) + Phase SI** log IAP log K(373 K, 369 atm) CH4(g) -20.84 -24.07 -3.23 CH4 CO2(g) 2.25 0.15 -2.10 CO2 Pressure 361.1 atm, phi 0.491 @@ -9518,6 +9724,8 @@ O(0) 0.000e+00 H2O(g) 0.08 -0.01 -0.09 H2O Pressure 8.3 atm, phi 0.145 O2(g) -43.18 -46.46 -3.29 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 20. @@ -9608,7 +9816,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 415 atm) + Phase SI** log IAP log K(373 K, 415 atm) CH4(g) -21.39 -24.64 -3.25 CH4 CO2(g) 2.29 0.17 -2.12 CO2 Pressure 405.4 atm, phi 0.476 @@ -9616,6 +9824,8 @@ O(0) 0.000e+00 H2O(g) 0.09 -0.01 -0.10 H2O Pressure 9.4 atm, phi 0.131 O2(g) -42.87 -46.18 -3.31 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 21. @@ -9699,7 +9909,7 @@ O(0) 1.619e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 468 atm) + Phase SI** log IAP log K(373 K, 468 atm) CH4(g) -95.54 -98.82 -3.28 CH4 CO2(g) 2.33 0.19 -2.14 CO2 Pressure 457.5 atm, phi 0.465 @@ -9707,6 +9917,8 @@ O(0) 1.619e-09 H2O(g) 0.11 -0.01 -0.12 H2O Pressure 10.7 atm, phi 0.119 O2(g) -5.76 -9.09 -3.33 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 22. @@ -9790,7 +10002,7 @@ O(0) 1.620e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 531 atm) + Phase SI** log IAP log K(373 K, 531 atm) CH4(g) -95.52 -98.83 -3.31 CH4 CO2(g) 2.37 0.20 -2.17 CO2 Pressure 519.3 atm, phi 0.456 @@ -9798,6 +10010,8 @@ O(0) 1.620e-09 H2O(g) 0.12 -0.01 -0.13 H2O Pressure 12.2 atm, phi 0.108 O2(g) -5.73 -9.09 -3.36 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 23. @@ -9881,7 +10095,7 @@ O(0) 1.620e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 607 atm) + Phase SI** log IAP log K(373 K, 607 atm) CH4(g) -95.50 -98.84 -3.34 CH4 CO2(g) 2.43 0.22 -2.21 CO2 Pressure 592.7 atm, phi 0.452 @@ -9889,6 +10103,8 @@ O(0) 1.620e-09 H2O(g) 0.14 -0.01 -0.15 H2O Pressure 14.0 atm, phi 0.099 O2(g) -5.70 -9.09 -3.39 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 24. @@ -9972,7 +10188,7 @@ O(0) 1.621e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 696 atm) + Phase SI** log IAP log K(373 K, 696 atm) CH4(g) -95.47 -98.85 -3.38 CH4 CO2(g) 2.49 0.23 -2.26 CO2 Pressure 680.6 atm, phi 0.452 @@ -9980,6 +10196,8 @@ O(0) 1.621e-09 H2O(g) 0.16 -0.01 -0.17 H2O Pressure 15.9 atm, phi 0.091 O2(g) -5.66 -9.09 -3.43 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 25. @@ -10063,7 +10281,7 @@ O(0) 1.621e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 805 atm) + Phase SI** log IAP log K(373 K, 805 atm) CH4(g) -95.44 -98.87 -3.43 CH4 CO2(g) 2.56 0.24 -2.32 CO2 Pressure 786.9 atm, phi 0.459 @@ -10071,6 +10289,8 @@ O(0) 1.621e-09 H2O(g) 0.19 -0.01 -0.20 H2O Pressure 18.2 atm, phi 0.085 O2(g) -5.61 -9.09 -3.48 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 26. @@ -10154,7 +10374,7 @@ O(0) 1.622e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 938 atm) + Phase SI** log IAP log K(373 K, 938 atm) CH4(g) -95.41 -98.90 -3.49 CH4 CO2(g) 2.64 0.25 -2.39 CO2 Pressure 917.3 atm, phi 0.476 @@ -10162,6 +10382,8 @@ O(0) 1.622e-09 H2O(g) 0.22 -0.01 -0.23 H2O Pressure 20.7 atm, phi 0.080 O2(g) -5.56 -9.09 -3.53 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 27. @@ -10245,7 +10467,7 @@ O(0) 1.622e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 1104 atm) + Phase SI** log IAP log K(373 K, 1104 atm) CH4(g) -95.37 -98.94 -3.57 CH4 CO2(g) 2.74 0.25 -2.49 CO2 Pressure 1080.7 atm, phi 0.507 @@ -10253,6 +10475,8 @@ O(0) 1.622e-09 H2O(g) 0.26 -0.01 -0.28 H2O Pressure 23.7 atm, phi 0.077 O2(g) -5.49 -9.09 -3.60 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 28. @@ -10336,7 +10560,7 @@ O(0) 1.622e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(373 K, 1319 atm) + Phase SI** log IAP log K(373 K, 1319 atm) CH4(g) -95.32 -98.98 -3.67 CH4 CO2(g) 2.86 0.23 -2.63 CO2 Pressure 1292.0 atm, phi 0.561 @@ -10344,6 +10568,8 @@ O(0) 1.622e-09 H2O(g) 0.32 -0.01 -0.33 H2O Pressure 27.1 atm, phi 0.076 O2(g) -5.40 -9.09 -3.69 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -10354,6 +10580,6 @@ Reading input data for simulation 5. ------------------------------------ ------------------------------ -End of Run after 0.18 Seconds. +End of Run after 0.17 Seconds. ------------------------------ diff --git a/ex2b.out b/ex2b.out index 1fac1c22..55b99d5a 100644 --- a/ex2b.out +++ b/ex2b.out @@ -24,6 +24,6 @@ Reading input data for simulation 1. PRINT reset false ------------------------------ -End of Run after 0.04 Seconds. +End of Run after 0.03 Seconds. ------------------------------ diff --git a/ex3.out b/ex3.out index ba754287..9da9981e 100644 --- a/ex3.out +++ b/ex3.out @@ -81,12 +81,14 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 0.00 1.50 H2O O2(g) -39.19 -42.08 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -159,7 +161,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 @@ -169,6 +171,8 @@ O(0) 0.000e+00 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -60.30 -63.19 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -299,7 +303,7 @@ Si 7.382e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.93 -5.20 -4.28 CaSO4 Aragonite 0.61 -7.73 -8.34 CaCO3 @@ -320,6 +324,8 @@ Si 7.382e-05 Sylvite -3.54 -2.64 0.90 KCl Talc 6.03 27.43 21.40 Mg3Si4O10(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -453,7 +459,7 @@ Si 2.215e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -1.42 -5.70 -4.28 CaSO4 Aragonite -0.25 -8.59 -8.34 CaCO3 @@ -477,6 +483,8 @@ Si 2.215e-05 Sylvite -4.47 -3.57 0.90 KCl Talc -2.79 18.61 21.40 Mg3Si4O10(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -614,7 +622,7 @@ Si 2.215e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.97 -5.25 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -638,6 +646,8 @@ Si 2.215e-05 Sylvite -4.47 -3.57 0.90 KCl Talc -5.37 16.03 21.40 Mg3Si4O10(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -773,7 +783,7 @@ Si 2.215e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -1.42 -5.70 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -797,6 +807,8 @@ Si 2.215e-05 Sylvite -4.47 -3.57 0.90 KCl Talc -2.23 19.17 21.40 Mg3Si4O10(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -807,6 +819,6 @@ Reading input data for simulation 6. ------------------------------------ ------------------------------ -End of Run after 0.02 Seconds. +End of Run after 0.01 Seconds. ------------------------------ diff --git a/ex4.out b/ex4.out index 8343c97b..7f492216 100644 --- a/ex4.out +++ b/ex4.out @@ -153,7 +153,7 @@ S(6) 1.353e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -5.65 -9.93 -4.28 CaSO4 Aragonite -9.34 -17.68 -8.34 CaCO3 @@ -168,6 +168,8 @@ S(6) 1.353e-05 O2(g) -49.19 -52.08 -2.89 O2 Sylvite -12.12 -11.22 0.90 KCl +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -298,7 +300,7 @@ S(6) 2.706e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -3.21 -7.49 -4.28 CaSO4 Aragonite -9.51 -17.84 -8.34 CaCO3 @@ -317,6 +319,8 @@ S(6) 2.706e-04 Sulfur -92.33 -87.45 4.88 S Sylvite -9.55 -8.65 0.90 KCl +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -455,7 +459,7 @@ S(6) 2.706e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -3.21 -7.49 -4.28 CaSO4 Aragonite -9.51 -17.84 -8.34 CaCO3 @@ -474,6 +478,8 @@ S(6) 2.706e-04 Sulfur -92.33 -87.45 4.88 S Sylvite -9.55 -8.65 0.90 KCl +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -484,6 +490,6 @@ Reading input data for simulation 3. ------------------------------------ ------------------------------ -End of Run after 0.02 Seconds. +End of Run after 0.01 Seconds. ------------------------------ diff --git a/ex5.out b/ex5.out index b1242619..707fd47b 100644 --- a/ex5.out +++ b/ex5.out @@ -103,12 +103,14 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 0.00 1.50 H2O O2(g) -39.19 -42.08 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -245,7 +247,7 @@ S(6) 6.024e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -6.43 -10.71 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -267,6 +269,8 @@ S(6) 6.024e-08 Siderite -2.07 -12.96 -10.89 FeCO3 Sulfur -8.18 -3.30 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -420,7 +424,7 @@ S(6) 5.333e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -2.32 -6.59 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -443,6 +447,8 @@ S(6) 5.333e-04 Siderite -2.62 -13.51 -10.89 FeCO3 Sulfur -7.36 -2.48 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -596,7 +602,7 @@ S(6) 2.667e-03 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -1.35 -5.63 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -619,6 +625,8 @@ S(6) 2.667e-03 Siderite -2.75 -13.64 -10.89 FeCO3 Sulfur -7.17 -2.29 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -772,7 +780,7 @@ S(6) 5.333e-03 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.94 -5.22 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -795,6 +803,8 @@ S(6) 5.333e-03 Siderite -2.80 -13.69 -10.89 FeCO3 Sulfur -7.09 -2.20 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -948,7 +958,7 @@ S(6) 1.600e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.32 -4.59 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -971,6 +981,8 @@ S(6) 1.600e-02 Siderite -2.88 -13.77 -10.89 FeCO3 Sulfur -6.96 -2.08 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -1124,7 +1136,7 @@ S(6) 1.713e-02 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -0.30 -4.58 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 @@ -1147,6 +1159,8 @@ S(6) 1.713e-02 Siderite -2.89 -13.78 -10.89 FeCO3 Sulfur -6.96 -2.08 4.88 S +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1157,6 +1171,6 @@ Reading input data for simulation 2. ------------------------------------ ------------------------------ -End of Run after 0.03 Seconds. +End of Run after 0.02 Seconds. ------------------------------ diff --git a/ex6.out b/ex6.out index d54512d8..b032bfb0 100644 --- a/ex6.out +++ b/ex6.out @@ -99,12 +99,14 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -22.04 -25.14 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -39.20 -42.09 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -212,7 +214,7 @@ Si 7.974e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -3.55 -7.10 -3.55 SiO2 @@ -226,6 +228,8 @@ Si 7.974e-08 Quartz -3.12 -7.10 -3.98 SiO2 SiO2(a) -4.39 -7.10 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -326,7 +330,7 @@ Si 6.535e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 @@ -340,6 +344,8 @@ Si 6.535e-06 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -440,7 +446,7 @@ Si 4.078e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.48 7.32 10.80 Al(OH)3 Chalcedony -0.91 -4.46 -3.55 SiO2 @@ -454,6 +460,8 @@ Si 4.078e-05 Quartz -0.48 -4.46 -3.98 SiO2 SiO2(a) -1.75 -4.46 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -554,7 +562,7 @@ Si 3.819e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony -0.00 -3.55 -3.55 SiO2 @@ -568,6 +576,8 @@ Si 3.819e-04 Quartz 0.43 -3.55 -3.98 SiO2 SiO2(a) -0.84 -3.55 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -664,7 +674,7 @@ Si 6.594e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 @@ -678,6 +688,8 @@ Si 6.594e-06 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -774,7 +786,7 @@ Si 6.595e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.70 7.10 10.80 Al(OH)3 Chalcedony -0.70 -4.25 -3.55 SiO2 @@ -788,6 +800,8 @@ Si 6.595e-05 Quartz -0.27 -4.25 -3.98 SiO2 SiO2(a) -1.54 -4.25 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -909,7 +923,7 @@ Si 1.200e-07 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -3.37 -6.92 -3.55 SiO2 @@ -923,6 +937,8 @@ Si 1.200e-07 Quartz -2.94 -6.92 -3.98 SiO2 SiO2(a) -4.21 -6.92 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -1011,7 +1027,7 @@ Si 2.400e-07 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -3.07 -6.62 -3.55 SiO2 @@ -1025,6 +1041,8 @@ Si 2.400e-07 Quartz -2.64 -6.62 -3.98 SiO2 SiO2(a) -3.91 -6.62 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -1113,7 +1131,7 @@ Si 4.800e-07 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.77 -6.32 -3.55 SiO2 @@ -1127,6 +1145,8 @@ Si 4.800e-07 Quartz -2.34 -6.32 -3.98 SiO2 SiO2(a) -3.61 -6.32 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -1215,7 +1235,7 @@ Si 9.600e-07 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.47 -6.02 -3.55 SiO2 @@ -1229,6 +1249,8 @@ Si 9.600e-07 Quartz -2.04 -6.02 -3.98 SiO2 SiO2(a) -3.31 -6.02 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -1317,7 +1339,7 @@ Si 1.920e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.17 -5.72 -3.55 SiO2 @@ -1331,6 +1353,8 @@ Si 1.920e-06 Quartz -1.74 -5.72 -3.98 SiO2 SiO2(a) -3.01 -5.72 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -1419,7 +1443,7 @@ Si 3.000e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.98 -5.53 -3.55 SiO2 @@ -1433,6 +1457,8 @@ Si 3.000e-06 Quartz -1.55 -5.53 -3.98 SiO2 SiO2(a) -2.82 -5.53 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -1521,7 +1547,7 @@ Si 6.000e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.68 -5.23 -3.55 SiO2 @@ -1535,6 +1561,8 @@ Si 6.000e-06 Quartz -1.25 -5.23 -3.98 SiO2 SiO2(a) -2.52 -5.23 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -1623,7 +1651,7 @@ Si 8.571e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.86 7.94 10.80 Al(OH)3 Chalcedony -1.53 -5.09 -3.55 SiO2 @@ -1637,6 +1665,8 @@ Si 8.571e-06 Quartz -1.11 -5.09 -3.98 SiO2 SiO2(a) -2.37 -5.09 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -1725,7 +1755,7 @@ Si 1.661e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.13 7.67 10.80 Al(OH)3 Chalcedony -1.27 -4.82 -3.55 SiO2 @@ -1739,6 +1769,8 @@ Si 1.661e-05 Quartz -0.84 -4.82 -3.98 SiO2 SiO2(a) -2.10 -4.82 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -1827,7 +1859,7 @@ Si 3.259e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.39 7.41 10.80 Al(OH)3 Chalcedony -1.00 -4.55 -3.55 SiO2 @@ -1841,6 +1873,8 @@ Si 3.259e-05 Quartz -0.57 -4.55 -3.98 SiO2 SiO2(a) -1.84 -4.55 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -1929,7 +1963,7 @@ Si 6.433e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.68 7.12 10.80 Al(OH)3 Chalcedony -0.71 -4.26 -3.55 SiO2 @@ -1943,6 +1977,8 @@ Si 6.433e-05 Quartz -0.28 -4.26 -3.98 SiO2 SiO2(a) -1.55 -4.26 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -2031,7 +2067,7 @@ Si 1.282e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.10 6.70 10.80 Al(OH)3 Chalcedony -0.44 -3.99 -3.55 SiO2 @@ -2045,6 +2081,8 @@ Si 1.282e-04 Quartz -0.01 -3.99 -3.98 SiO2 SiO2(a) -1.28 -3.99 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 13. @@ -2133,7 +2171,7 @@ Si 2.001e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.37 6.43 10.80 Al(OH)3 Chalcedony -0.26 -3.81 -3.55 SiO2 @@ -2147,6 +2185,8 @@ Si 2.001e-04 Quartz 0.17 -3.81 -3.98 SiO2 SiO2(a) -1.10 -3.81 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 14. @@ -2235,7 +2275,7 @@ Si 3.819e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony -0.00 -3.55 -3.55 SiO2 @@ -2249,6 +2289,8 @@ Si 3.819e-04 Quartz 0.43 -3.55 -3.98 SiO2 SiO2(a) -0.84 -3.55 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2411,7 +2453,7 @@ Si 3.000e-13 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -8.17 2.63 10.80 Al(OH)3 Chalcedony -8.97 -12.52 -3.55 SiO2 @@ -2425,6 +2467,8 @@ Si 3.000e-13 Quartz -8.54 -12.52 -3.98 SiO2 SiO2(a) -9.81 -12.52 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -2514,7 +2558,7 @@ Si 3.797e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.07 6.73 10.80 Al(OH)3 Chalcedony -4.87 -8.42 -3.55 SiO2 @@ -2528,6 +2572,8 @@ Si 3.797e-09 Quartz -4.44 -8.42 -3.98 SiO2 SiO2(a) -5.71 -8.42 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -2613,7 +2659,7 @@ Si 4.176e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.03 7.77 10.80 Al(OH)3 Chalcedony -3.83 -7.38 -3.55 SiO2 @@ -2627,6 +2673,8 @@ Si 4.176e-08 Quartz -3.40 -7.38 -3.98 SiO2 SiO2(a) -4.67 -7.38 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -2713,7 +2761,7 @@ Si 4.214e-07 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.82 -6.38 -3.55 SiO2 @@ -2727,6 +2775,8 @@ Si 4.214e-07 Quartz -2.40 -6.38 -3.98 SiO2 SiO2(a) -3.66 -6.38 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -2813,7 +2863,7 @@ Si 4.218e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.83 -5.38 -3.55 SiO2 @@ -2827,6 +2877,8 @@ Si 4.218e-06 Quartz -1.40 -5.38 -3.98 SiO2 SiO2(a) -2.67 -5.38 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -2915,7 +2967,7 @@ Si 2.872e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -3.35 7.45 10.80 Al(OH)3 Chalcedony -1.05 -4.60 -3.55 SiO2 @@ -2929,6 +2981,8 @@ Si 2.872e-05 Quartz -0.62 -4.60 -3.98 SiO2 SiO2(a) -1.89 -4.60 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -3019,7 +3073,7 @@ Si 2.534e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.51 6.29 10.80 Al(OH)3 Chalcedony -0.17 -3.72 -3.55 SiO2 @@ -3033,6 +3087,8 @@ Si 2.534e-04 Quartz 0.26 -3.72 -3.98 SiO2 SiO2(a) -1.01 -3.72 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -3124,7 +3180,7 @@ Si 3.819e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony -0.00 -3.55 -3.55 SiO2 @@ -3138,6 +3194,8 @@ Si 3.819e-04 Quartz 0.43 -3.55 -3.98 SiO2 SiO2(a) -0.84 -3.55 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3238,7 +3296,7 @@ Si 6.661e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -2.84 -6.39 -3.55 SiO2 @@ -3253,6 +3311,8 @@ Si 6.661e-06 Quartz -2.41 -6.39 -3.98 SiO2 SiO2(a) -3.68 -6.39 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 2. @@ -3311,7 +3371,7 @@ Si 6.390e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 @@ -3326,6 +3386,8 @@ Si 6.390e-06 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 3. @@ -3384,7 +3446,7 @@ Si 6.412e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony 0.36 -3.19 -3.55 SiO2 @@ -3399,6 +3461,8 @@ Si 6.412e-04 Quartz 0.79 -3.19 -3.98 SiO2 SiO2(a) -0.48 -3.19 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 4. @@ -3457,7 +3521,7 @@ Si 3.205e-01 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -7.46 3.34 10.80 Al(OH)3 Chalcedony 3.06 -0.49 -3.55 SiO2 @@ -3472,6 +3536,8 @@ Si 3.205e-01 Quartz 3.49 -0.49 -3.98 SiO2 SiO2(a) 2.22 -0.49 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3565,7 +3631,7 @@ Si 6.703e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony -0.84 -4.39 -3.55 SiO2 @@ -3580,6 +3646,8 @@ Si 6.703e-04 Quartz -0.41 -4.39 -3.98 SiO2 SiO2(a) -1.68 -4.39 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 2. @@ -3638,7 +3706,7 @@ Si 6.412e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Chalcedony 0.36 -3.19 -3.55 SiO2 @@ -3653,6 +3721,8 @@ Si 6.412e-04 Quartz 0.79 -3.19 -3.98 SiO2 SiO2(a) -0.48 -3.19 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 3. @@ -3711,7 +3781,7 @@ Si 6.390e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 @@ -3726,6 +3796,8 @@ Si 6.390e-06 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Initial solution 4. @@ -3784,7 +3856,7 @@ Si 6.392e-06 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Chalcedony -1.64 -5.20 -3.55 SiO2 @@ -3799,6 +3871,8 @@ Si 6.392e-06 Quartz -1.21 -5.20 -3.98 SiO2 SiO2(a) -2.48 -5.20 -2.71 SiO2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3809,6 +3883,6 @@ Reading input data for simulation 12. ------------------------------------- ------------------------------ -End of Run after 0.49 Seconds. +End of Run after 0.48 Seconds. ------------------------------ diff --git a/ex7.out b/ex7.out index f12071c4..c0d4e0fa 100644 --- a/ex7.out +++ b/ex7.out @@ -105,12 +105,14 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 0.00 1.50 H2O O2(g) -39.19 -42.08 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -183,7 +185,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 @@ -193,6 +195,8 @@ O(0) 0.000e+00 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -60.30 -63.19 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -341,7 +345,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.28 -8.61 -8.34 CaCO3 Calcite -0.13 -8.61 -8.48 CaCO3 @@ -353,6 +357,8 @@ O(0) 0.000e+00 NH3(g) -8.38 -6.61 1.77 NH3 O2(g) -70.75 -73.64 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -443,7 +449,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.37 -8.71 -8.34 CaCO3 Calcite -0.23 -8.71 -8.48 CaCO3 @@ -455,6 +461,8 @@ O(0) 0.000e+00 NH3(g) -8.18 -6.41 1.77 NH3 O2(g) -70.85 -73.74 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -559,7 +567,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.45 -8.78 -8.34 CaCO3 Calcite -0.30 -8.78 -8.48 CaCO3 @@ -571,6 +579,8 @@ O(0) 0.000e+00 NH3(g) -8.09 -6.32 1.77 NH3 O2(g) -70.88 -73.77 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -675,7 +685,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.50 -8.84 -8.34 CaCO3 Calcite -0.36 -8.84 -8.48 CaCO3 @@ -687,6 +697,8 @@ O(0) 0.000e+00 NH3(g) -8.02 -6.25 1.77 NH3 O2(g) -70.85 -73.74 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -791,7 +803,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.64 -8.98 -8.34 CaCO3 Calcite -0.50 -8.98 -8.48 CaCO3 @@ -803,6 +815,8 @@ O(0) 0.000e+00 NH3(g) -7.89 -6.12 1.77 NH3 O2(g) -70.75 -73.64 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -907,7 +921,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.77 -9.10 -8.34 CaCO3 Calcite -0.62 -9.10 -8.48 CaCO3 @@ -919,6 +933,8 @@ O(0) 0.000e+00 NH3(g) -7.75 -5.98 1.77 NH3 O2(g) -70.63 -73.53 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -1023,7 +1039,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.83 -9.17 -8.34 CaCO3 Calcite -0.69 -9.17 -8.48 CaCO3 @@ -1035,6 +1051,8 @@ O(0) 0.000e+00 NH3(g) -7.62 -5.85 1.77 NH3 O2(g) -70.52 -73.42 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -1139,7 +1157,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.85 -9.19 -8.34 CaCO3 Calcite -0.71 -9.19 -8.48 CaCO3 @@ -1151,6 +1169,8 @@ O(0) 0.000e+00 NH3(g) -7.51 -5.74 1.77 NH3 O2(g) -70.44 -73.33 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -1255,7 +1275,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.86 -9.20 -8.34 CaCO3 Calcite -0.72 -9.20 -8.48 CaCO3 @@ -1267,6 +1287,8 @@ O(0) 0.000e+00 NH3(g) -7.46 -5.69 1.77 NH3 O2(g) -70.38 -73.28 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -1371,7 +1393,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.87 -9.20 -8.34 CaCO3 Calcite -0.72 -9.20 -8.48 CaCO3 @@ -1383,6 +1405,8 @@ O(0) 0.000e+00 NH3(g) -7.45 -5.68 1.77 NH3 O2(g) -70.36 -73.25 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -1487,7 +1511,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.87 -9.21 -8.34 CaCO3 Calcite -0.73 -9.21 -8.48 CaCO3 @@ -1499,6 +1523,8 @@ O(0) 0.000e+00 NH3(g) -7.44 -5.67 1.77 NH3 O2(g) -70.34 -73.23 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -1603,7 +1629,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.87 -9.21 -8.34 CaCO3 Calcite -0.73 -9.21 -8.48 CaCO3 @@ -1615,6 +1641,8 @@ O(0) 0.000e+00 NH3(g) -7.44 -5.67 1.77 NH3 O2(g) -70.33 -73.23 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1785,7 +1813,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.15 -8.49 -8.34 CaCO3 Calcite -0.01 -8.49 -8.48 CaCO3 @@ -1797,6 +1825,8 @@ O(0) 0.000e+00 NH3(g) -9.62 -7.85 1.77 NH3 O2(g) -69.42 -72.31 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -1901,7 +1931,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.16 -8.49 -8.34 CaCO3 Calcite -0.01 -8.49 -8.48 CaCO3 @@ -1913,6 +1943,8 @@ O(0) 0.000e+00 NH3(g) -9.36 -7.59 1.77 NH3 O2(g) -69.57 -72.46 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -2017,7 +2049,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.16 -8.50 -8.34 CaCO3 Calcite -0.02 -8.50 -8.48 CaCO3 @@ -2029,6 +2061,8 @@ O(0) 0.000e+00 NH3(g) -9.20 -7.43 1.77 NH3 O2(g) -69.65 -72.54 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -2133,7 +2167,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.17 -8.50 -8.34 CaCO3 Calcite -0.02 -8.50 -8.48 CaCO3 @@ -2145,6 +2179,8 @@ O(0) 0.000e+00 NH3(g) -9.10 -7.33 1.77 NH3 O2(g) -69.71 -72.60 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -2249,7 +2285,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.19 -8.53 -8.34 CaCO3 Calcite -0.05 -8.53 -8.48 CaCO3 @@ -2261,6 +2297,8 @@ O(0) 0.000e+00 NH3(g) -8.84 -7.07 1.77 NH3 O2(g) -69.85 -72.74 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -2365,7 +2403,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.23 -8.57 -8.34 CaCO3 Calcite -0.09 -8.57 -8.48 CaCO3 @@ -2377,6 +2415,8 @@ O(0) 0.000e+00 NH3(g) -8.59 -6.82 1.77 NH3 O2(g) -69.98 -72.87 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -2481,7 +2521,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.30 -8.64 -8.34 CaCO3 Calcite -0.16 -8.64 -8.48 CaCO3 @@ -2493,6 +2533,8 @@ O(0) 0.000e+00 NH3(g) -8.36 -6.59 1.77 NH3 O2(g) -70.09 -72.98 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -2597,7 +2639,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.41 -8.75 -8.34 CaCO3 Calcite -0.27 -8.75 -8.48 CaCO3 @@ -2609,6 +2651,8 @@ O(0) 0.000e+00 NH3(g) -8.14 -6.37 1.77 NH3 O2(g) -70.18 -73.07 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -2713,7 +2757,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.55 -8.88 -8.34 CaCO3 Calcite -0.40 -8.88 -8.48 CaCO3 @@ -2725,6 +2769,8 @@ O(0) 0.000e+00 NH3(g) -7.95 -6.18 1.77 NH3 O2(g) -70.24 -73.13 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -2829,7 +2875,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 0 atm) + Phase SI** log IAP log K(298 K, 0 atm) Aragonite -0.70 -9.03 -8.34 CaCO3 Calcite -0.55 -9.03 -8.48 CaCO3 @@ -2841,6 +2887,8 @@ O(0) 0.000e+00 NH3(g) -7.77 -6.00 1.77 NH3 O2(g) -70.28 -73.17 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -2945,7 +2993,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.82 -9.16 -8.34 CaCO3 Calcite -0.68 -9.16 -8.48 CaCO3 @@ -2957,6 +3005,8 @@ O(0) 0.000e+00 NH3(g) -7.61 -5.84 1.77 NH3 O2(g) -70.31 -73.20 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 12. @@ -3061,7 +3111,7 @@ O(0) 0.000e+00 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Aragonite -0.89 -9.23 -8.34 CaCO3 Calcite -0.75 -9.23 -8.48 CaCO3 @@ -3073,6 +3123,8 @@ O(0) 0.000e+00 NH3(g) -7.45 -5.68 1.77 NH3 O2(g) -70.32 -73.21 -2.89 O2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3083,6 +3135,6 @@ Reading input data for simulation 4. ------------------------------------ ------------------------------ -End of Run after 0.05 Seconds. +End of Run after 0.04 Seconds. ------------------------------ diff --git a/ex8.out b/ex8.out index 21cff114..dc1ca0bc 100644 --- a/ex8.out +++ b/ex8.out @@ -131,13 +131,15 @@ Zn 1.000e-07 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -24.05 -27.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -35.19 -38.08 -2.89 O2 Zn(OH)2(e) -2.97 8.53 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -225,13 +227,15 @@ Zn 1.000e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -24.05 -27.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -35.19 -38.08 -2.89 O2 Zn(OH)2(e) 0.03 11.53 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -388,7 +392,7 @@ Zn 9.967e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -5.00 -5.00 0.00 H+ H2(g) -40.24 -43.34 -3.10 H2 @@ -398,6 +402,8 @@ Zn 9.967e-08 O2(g) -2.81 -5.70 -2.89 O2 Zn(OH)2(e) -8.93 2.57 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -523,7 +529,7 @@ Zn 9.910e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -5.25 -5.25 0.00 H+ H2(g) -40.17 -43.27 -3.10 H2 @@ -533,6 +539,8 @@ Zn 9.910e-08 O2(g) -2.96 -5.85 -2.89 O2 Zn(OH)2(e) -8.43 3.07 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -658,7 +666,7 @@ Zn 9.759e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -5.50 -5.50 0.00 H+ H2(g) -40.10 -43.20 -3.10 H2 @@ -668,6 +676,8 @@ Zn 9.759e-08 O2(g) -3.10 -5.99 -2.89 O2 Zn(OH)2(e) -7.94 3.56 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -793,7 +803,7 @@ Zn 9.369e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -5.75 -5.75 0.00 H+ H2(g) -40.02 -43.12 -3.10 H2 @@ -803,6 +813,8 @@ Zn 9.369e-08 O2(g) -3.24 -6.13 -2.89 O2 Zn(OH)2(e) -7.46 4.04 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -928,7 +940,7 @@ Zn 8.454e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -6.00 -6.00 0.00 H+ H2(g) -39.95 -43.05 -3.10 H2 @@ -938,6 +950,8 @@ Zn 8.454e-08 O2(g) -3.38 -6.28 -2.89 O2 Zn(OH)2(e) -7.00 4.50 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1063,7 +1077,7 @@ Zn 6.679e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -6.25 -6.25 0.00 H+ H2(g) -39.88 -42.98 -3.10 H2 @@ -1073,6 +1087,8 @@ Zn 6.679e-08 O2(g) -3.53 -6.42 -2.89 O2 Zn(OH)2(e) -6.60 4.90 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1198,7 +1214,7 @@ Zn 4.243e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -6.50 -6.50 0.00 H+ H2(g) -39.81 -42.91 -3.10 H2 @@ -1208,6 +1224,8 @@ Zn 4.243e-08 O2(g) -3.67 -6.56 -2.89 O2 Zn(OH)2(e) -6.30 5.20 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1333,7 +1351,7 @@ Zn 2.114e-08 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -6.75 -6.75 0.00 H+ H2(g) -39.74 -42.84 -3.10 H2 @@ -1343,6 +1361,8 @@ Zn 2.114e-08 O2(g) -3.81 -6.70 -2.89 O2 Zn(OH)2(e) -6.10 5.40 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1468,7 +1488,7 @@ Zn 8.811e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -7.00 -7.00 0.00 H+ H2(g) -39.67 -42.77 -3.10 H2 @@ -1478,6 +1498,8 @@ Zn 8.811e-09 O2(g) -3.96 -6.85 -2.89 O2 Zn(OH)2(e) -5.99 5.51 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1603,7 +1625,7 @@ Zn 3.340e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -7.25 -7.25 0.00 H+ H2(g) -39.60 -42.70 -3.10 H2 @@ -1613,6 +1635,8 @@ Zn 3.340e-09 O2(g) -4.10 -6.99 -2.89 O2 Zn(OH)2(e) -5.91 5.59 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1738,7 +1762,7 @@ Zn 1.217e-09 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -7.50 -7.50 0.00 H+ H2(g) -39.52 -42.62 -3.10 H2 @@ -1748,6 +1772,8 @@ Zn 1.217e-09 O2(g) -4.24 -7.13 -2.89 O2 Zn(OH)2(e) -5.85 5.65 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -1873,7 +1899,7 @@ Zn 4.403e-10 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -7.75 -7.75 0.00 H+ H2(g) -39.45 -42.55 -3.10 H2 @@ -1883,6 +1909,8 @@ Zn 4.403e-10 O2(g) -4.38 -7.28 -2.89 O2 Zn(OH)2(e) -5.80 5.70 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2008,7 +2036,7 @@ Zn 1.628e-10 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -8.00 -8.00 0.00 H+ H2(g) -39.38 -42.48 -3.10 H2 @@ -2018,6 +2046,8 @@ Zn 1.628e-10 O2(g) -4.53 -7.42 -2.89 O2 Zn(OH)2(e) -5.76 5.74 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2175,7 +2205,7 @@ Zn 9.969e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -5.00 -5.00 0.00 H+ H2(g) -40.24 -43.34 -3.10 H2 @@ -2185,6 +2215,8 @@ Zn 9.969e-05 O2(g) -2.81 -5.70 -2.89 O2 Zn(OH)2(e) -5.93 5.57 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2310,7 +2342,7 @@ Zn 9.923e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -5.25 -5.25 0.00 H+ H2(g) -40.17 -43.27 -3.10 H2 @@ -2320,6 +2352,8 @@ Zn 9.923e-05 O2(g) -2.96 -5.85 -2.89 O2 Zn(OH)2(e) -5.43 6.07 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2445,7 +2479,7 @@ Zn 9.832e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -5.50 -5.50 0.00 H+ H2(g) -40.10 -43.20 -3.10 H2 @@ -2455,6 +2489,8 @@ Zn 9.832e-05 O2(g) -3.10 -5.99 -2.89 O2 Zn(OH)2(e) -4.94 6.56 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2580,7 +2616,7 @@ Zn 9.698e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -5.75 -5.75 0.00 H+ H2(g) -40.02 -43.12 -3.10 H2 @@ -2590,6 +2626,8 @@ Zn 9.698e-05 O2(g) -3.24 -6.13 -2.89 O2 Zn(OH)2(e) -4.44 7.06 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2715,7 +2753,7 @@ Zn 9.549e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -6.00 -6.00 0.00 H+ H2(g) -39.95 -43.05 -3.10 H2 @@ -2725,6 +2763,8 @@ Zn 9.549e-05 O2(g) -3.38 -6.28 -2.89 O2 Zn(OH)2(e) -3.95 7.55 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2850,7 +2890,7 @@ Zn 9.374e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -6.25 -6.25 0.00 H+ H2(g) -39.88 -42.98 -3.10 H2 @@ -2860,6 +2900,8 @@ Zn 9.374e-05 O2(g) -3.53 -6.42 -2.89 O2 Zn(OH)2(e) -3.46 8.04 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -2985,7 +3027,7 @@ Zn 9.075e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -6.50 -6.50 0.00 H+ H2(g) -39.81 -42.91 -3.10 H2 @@ -2995,6 +3037,8 @@ Zn 9.075e-05 O2(g) -3.67 -6.56 -2.89 O2 Zn(OH)2(e) -2.97 8.53 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3120,7 +3164,7 @@ Zn 8.484e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -6.75 -6.75 0.00 H+ H2(g) -39.74 -42.84 -3.10 H2 @@ -3130,6 +3174,8 @@ Zn 8.484e-05 O2(g) -3.81 -6.71 -2.89 O2 Zn(OH)2(e) -2.50 9.00 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3255,7 +3301,7 @@ Zn 7.503e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -7.00 -7.00 0.00 H+ H2(g) -39.67 -42.77 -3.10 H2 @@ -3265,6 +3311,8 @@ Zn 7.503e-05 O2(g) -3.96 -6.85 -2.89 O2 Zn(OH)2(e) -2.05 9.45 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3390,7 +3438,7 @@ Zn 6.248e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -7.25 -7.25 0.00 H+ H2(g) -39.60 -42.70 -3.10 H2 @@ -3400,6 +3448,8 @@ Zn 6.248e-05 O2(g) -4.10 -6.99 -2.89 O2 Zn(OH)2(e) -1.64 9.86 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3525,7 +3575,7 @@ Zn 4.944e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -7.50 -7.50 0.00 H+ H2(g) -39.52 -42.62 -3.10 H2 @@ -3535,6 +3585,8 @@ Zn 4.944e-05 O2(g) -4.24 -7.13 -2.89 O2 Zn(OH)2(e) -1.24 10.26 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3660,7 +3712,7 @@ Zn 3.752e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -7.75 -7.75 0.00 H+ H2(g) -39.45 -42.55 -3.10 H2 @@ -3670,6 +3722,8 @@ Zn 3.752e-05 O2(g) -4.38 -7.28 -2.89 O2 Zn(OH)2(e) -0.87 10.63 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3795,7 +3849,7 @@ Zn 2.762e-05 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Fix_H+ -8.00 -8.00 0.00 H+ H2(g) -39.38 -42.48 -3.10 H2 @@ -3805,6 +3859,8 @@ Zn 2.762e-05 O2(g) -4.53 -7.42 -2.89 O2 Zn(OH)2(e) -0.53 10.97 11.50 Zn(OH)2 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation. @@ -3824,6 +3880,6 @@ Reading input data for simulation 34. ------------------------------------- ------------------------------ -End of Run after 0.06 Seconds. +End of Run after 0.05 Seconds. ------------------------------ diff --git a/ex9.out b/ex9.out index ba68a710..a4522526 100644 --- a/ex9.out +++ b/ex9.out @@ -219,13 +219,15 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.31 -44.41 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ----------------------------------------- Beginning of batch-reaction calculations. @@ -323,7 +325,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.64 5.64 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -331,6 +333,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 2. @@ -422,7 +426,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.65 5.65 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -430,6 +434,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 3. @@ -521,7 +527,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.66 5.66 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -529,6 +535,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 4. @@ -620,7 +628,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.66 5.66 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -628,6 +636,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 5. @@ -719,7 +729,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.66 5.66 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -727,6 +737,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 6. @@ -818,7 +830,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.66 5.66 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -826,6 +838,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 7. @@ -917,7 +931,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.66 5.66 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -925,6 +939,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 8. @@ -1016,7 +1032,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.66 5.66 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -1024,6 +1040,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 9. @@ -1115,7 +1133,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.66 5.66 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -1123,6 +1141,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 10. @@ -1214,7 +1234,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.66 5.66 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -1222,6 +1242,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm Reaction step 11. @@ -1313,7 +1335,7 @@ O(0) 5.465e-04 ------------------------------Saturation indices------------------------------- - Phase SI log IAP log K(298 K, 1 atm) + Phase SI** log IAP log K(298 K, 1 atm) Goethite 6.66 5.66 -1.00 Fe_triOOH H2(g) -41.31 -44.41 -3.10 H2 @@ -1321,6 +1343,8 @@ O(0) 5.465e-04 Halite -5.65 -4.08 1.57 NaCl O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000 +**For a gas, SI = log10(fugacity). For ideal gases, fugacity = pressure / 1 atm. +For a Peng-Robinson gas, fugacity = pressure * phi / 1 atm ------------------ End of simulation.