dataset of thermodynamic data for gwb programs dataset format: jul22 activity model: h-m-w fugacity model: tsonopoulos * * -- based harvie et al. (1984) * data file data0.3245r46 * 1 atm steam saturation curve data * last modified 13aug86 (da0r) * temperatures 0.0000 25.0000 60.0000 100.0000 150.0000 200.0000 250.0000 300.0000 * pressures 1.0134 1.0134 1.0134 1.0134 4.7600 15.5490 39.7760 85.9270 * debye huckel a (adh) .4913 .5092 .5450 .5998 .6898 .8099 .9785 1.2555 * debye huckel b (bdh) .3247 .3283 .3343 .3422 .3533 .3655 .3792 .3965 9 elements Carbon (C ) mole wt.= 12.0110 g Calcium (Ca) mole wt.= 40.0800 g Chlorine (Cl) mole wt.= 35.4530 g Hydrogen (H ) mole wt.= 1.0079 g Potassium (K ) mole wt.= 39.0983 g Magnesium (Mg) mole wt.= 24.3050 g Sodium (Na) mole wt.= 22.9898 g Oxygen (O ) mole wt.= 15.9994 g Sulfur (S ) mole wt.= 32.0600 g -end- 9 basis species H2O charge= 0 ion size= 0.0 A mole wt.= 18.0152 g 2 elements in species 2.000 H 1.000 O Ca++ charge= 2 ion size= 6.0 A mole wt.= 40.0800 g 1 elements in species 1.000 Ca Cl- charge= -1 ion size= 3.0 A mole wt.= 35.4530 g 1 elements in species 1.000 Cl H+ charge= 1 ion size= 9.0 A mole wt.= 1.0079 g 1 elements in species 1.000 H HCO3- charge= -1 ion size= 4.5 A mole wt.= 61.0171 g 3 elements in species 1.000 C 1.000 H 3.000 O K+ charge= 1 ion size= 3.0 A mole wt.= 39.0983 g 1 elements in species 1.000 K Mg++ charge= 2 ion size= 8.0 A mole wt.= 24.3050 g 1 elements in species 1.000 Mg Na+ charge= 1 ion size= 4.0 A mole wt.= 22.9898 g 1 elements in species 1.000 Na SO4-- charge= -2 ion size= 4.0 A mole wt.= 96.0576 g 2 elements in species 4.000 O 1.000 S -end- 0 redox couples -end- 7 aqueous species CaCO3 charge= 0 ion size= 4.0 A mole wt.= 100.0892 g 3 species in reaction 1.000 Ca++ 1.000 HCO3- -1.000 H+ 500.0000 7.1882 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 CO2(aq) charge= 0 ion size= 4.0 A mole wt.= 44.0098 g 3 species in reaction -1.000 H2O 1.000 H+ 1.000 HCO3- 500.0000 -6.3372 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 CO3-- charge= -2 ion size= 4.5 A mole wt.= 60.0092 g 2 species in reaction 1.000 HCO3- -1.000 H+ 500.0000 10.3395 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 HSO4- charge= -1 ion size= 4.0 A mole wt.= 97.0655 g 2 species in reaction 1.000 SO4-- 1.000 H+ 500.0000 -1.9789 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 MgCO3 charge= 0 ion size= 4.0 A mole wt.= 84.3142 g 3 species in reaction 1.000 Mg++ 1.000 HCO3- -1.000 H+ 500.0000 7.4114 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 MgOH+ charge= 1 ion size= 4.0 A mole wt.= 41.3123 g 3 species in reaction -1.000 H+ 1.000 Mg++ 1.000 H2O 500.0000 11.8090 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 OH- charge= -1 ion size= 3.5 A mole wt.= 17.0073 g 2 species in reaction 1.000 H2O -1.000 H+ 500.0000 13.9970 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 -end- 0 free electron -end- 51 minerals Anhydrite type= sulfate formula= CaSO4 mole vol.= 45.9400 cc mole wt.= 136.1376 g 2 species in reaction 1.000 Ca++ 1.000 SO4-- 500.0000 -4.3617 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Antarcticite type= halide formula= CaCl2:6H2O mole vol.= 128.1200 cc mole wt.= 219.0772 g 3 species in reaction 1.000 Ca++ 2.000 Cl- 6.000 H2O 500.0000 4.1436 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Aragonite type= carbonate formula= CaCO3 mole vol.= 34.1500 cc mole wt.= 100.0892 g 3 species in reaction 1.000 Ca++ 1.000 HCO3- -1.000 H+ 500.0000 2.1200 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Arcanite type= sulfate formula= K2SO4 mole vol.= 65.5000 cc mole wt.= 174.2542 g 2 species in reaction 2.000 K+ 1.000 SO4-- 500.0000 -1.7760 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Bischofite type= chloride formula= MgCl2:6H2O mole vol.= 127.8120 cc mole wt.= 203.3022 g 3 species in reaction 1.000 Mg++ 2.000 Cl- 6.000 H2O 500.0000 4.4551 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Bloedite type= sulfate formula= Na2Mg(SO4)2:4H2O mole vol.= 150.0000 cc mole wt.= 334.4606 g 4 species in reaction 2.000 Na+ 1.000 Mg++ 2.000 SO4-- 4.000 H2O 500.0000 -2.3470 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Brucite type= hydroxide formula= Mg(OH)2 mole vol.= 24.6300 cc mole wt.= 58.3196 g 3 species in reaction 1.000 Mg++ 2.000 H2O -2.000 H+ 500.0000 17.1100 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Burkeite type= sulfide formula= Na6CO3(SO4)2 mole vol.= 151.3000 cc mole wt.= 390.0632 g 4 species in reaction 6.000 Na+ 2.000 SO4-- 1.000 HCO3- -1.000 H+ 500.0000 9.5675 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Ca2Cl2(OH)2:H2O type= halide formula= mole vol.= 0.0000 cc mole wt.= 203.0958 g 4 species in reaction 2.000 Ca++ 2.000 Cl- 3.000 H2O -2.000 H+ 500.0000 26.5313 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Ca4Cl2(OH)6:13H2O type= halide formula= mole vol.= 0.0000 cc mole wt.= 567.4674 g 4 species in reaction 4.000 Ca++ 2.000 Cl- 19.000 H2O -6.000 H+ 500.0000 68.7343 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 CaCl2:4H2O type= halide formula= mole vol.= 0.0000 cc mole wt.= 183.0468 g 3 species in reaction 1.000 Ca++ 2.000 Cl- 4.000 H2O 500.0000 5.7171 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Calcite type= carbonate formula= CaCO3 mole vol.= 36.9340 cc mole wt.= 100.0892 g 3 species in reaction 1.000 Ca++ 1.000 HCO3- -1.000 H+ 500.0000 1.9333 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Carnallite type= halide formula= KMgCl3:6H2O mole vol.= 172.6000 cc mole wt.= 277.8535 g 4 species in reaction 1.000 K+ 1.000 Mg++ 3.000 Cl- 6.000 H2O 500.0000 4.3300 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Dolomite type= carbonate formula= CaMg(CO3)2 mole vol.= 64.3650 cc mole wt.= 184.4034 g 4 species in reaction 1.000 Ca++ 1.000 Mg++ 2.000 HCO3- -2.000 H+ 500.0000 3.5960 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Epsomite type= sulfate formula= MgSO4:7H2O mole vol.= 614.3400 cc mole wt.= 246.4690 g 3 species in reaction 1.000 Mg++ 1.000 SO4-- 7.000 H2O 500.0000 -1.8809 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Gaylussite type= carbonate formula= CaNa2(CO3)2:5H2O mole vol.= 148.4000 cc mole wt.= 296.1540 g 5 species in reaction 1.000 Ca++ 5.000 H2O 2.000 Na+ 2.000 HCO3- -2.000 H+ 500.0000 11.2580 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Glaserite type= formula= NaK3(SO4)2 mole vol.= 0.0000 cc mole wt.= 332.3999 g 3 species in reaction 2.000 SO4-- 3.000 K+ 1.000 Na+ 500.0000 -3.8030 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Glauberite type= formula= Na2Ca(SO4)2 mole vol.= 100.8000 cc mole wt.= 278.1748 g 3 species in reaction 2.000 SO4-- 2.000 Na+ 1.000 Ca++ 500.0000 -5.2450 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Gypsum type= sulfate formula= CaSO4:2H2O mole vol.= 74.6900 cc mole wt.= 172.1680 g 3 species in reaction 1.000 Ca++ 1.000 SO4-- 2.000 H2O 500.0000 -4.5805 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Halite type= halide formula= NaCl mole vol.= 27.0150 cc mole wt.= 58.4428 g 2 species in reaction 1.000 Na+ 1.000 Cl- 500.0000 1.5700 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Hexahydrite type= sulfate formula= MgSO4:6H2O mole vol.= 132.6000 cc mole wt.= 228.4538 g 3 species in reaction 1.000 Mg++ 1.000 SO4-- 6.000 H2O 500.0000 -1.6346 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 K2CO3:1.5H2O type= carbonate formula= mole vol.= 80.8800 cc mole wt.= 165.2286 g 4 species in reaction 1.500 H2O 2.000 K+ 1.000 HCO3- -1.000 H+ 500.0000 13.3723 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 K3H(SO4)2 type= sulfate formula= mole vol.= 0.0000 cc mole wt.= 310.4180 g 3 species in reaction 1.000 H+ 3.000 K+ 2.000 SO4-- 500.0000 -3.5425 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 K8H4(CO3)6:3H2O type= carbonate formula= mole vol.= 0.0000 cc mole wt.= 730.9188 g 4 species in reaction -2.000 H+ 8.000 K+ 3.000 H2O 6.000 HCO3- 500.0000 27.6892 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Kainite type= sulfate formula= KMgClSO4:3H2O mole vol.= 115.3000 cc mole wt.= 248.9595 g 5 species in reaction 1.000 K+ 1.000 Mg++ 1.000 Cl- 1.000 SO4-- 3.000 H2O 500.0000 -.1930 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Kalicinite type= carbonate formula= KHCO3 mole vol.= 46.1400 cc mole wt.= 100.1154 g 2 species in reaction 1.000 K+ 1.000 HCO3- 500.0000 .2815 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Kieserite type= sulfate formula= MgSO4:H2O mole vol.= 56.6000 cc mole wt.= 138.3778 g 3 species in reaction 1.000 Mg++ 1.000 SO4-- 1.000 H2O 500.0000 -.1230 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 KNaCO3:6H2O type= carbonate formula= mole vol.= 0.0000 cc mole wt.= 230.1885 g 5 species in reaction 1.000 K+ 6.000 H2O 1.000 Na+ 1.000 HCO3- -1.000 H+ 500.0000 10.2236 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Labile salt type= formula= Na4Ca(SO4)3^2H2O mole vol.= 0.0000 cc mole wt.= 456.2424 g 4 species in reaction 4.000 Na+ 1.000 Ca++ 3.000 SO4-- 2.000 H2O 500.0000 -5.6720 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Leonite type= formula= K2Mg(SO4)2^4H2O mole vol.= 166.3000 cc mole wt.= 366.6776 g 4 species in reaction 2.000 K+ 1.000 Mg++ 2.000 SO4-- 4.000 H2O 500.0000 -3.9790 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Magnesite type= carbonate formula= MgCO3 mole vol.= 28.0180 cc mole wt.= 84.3142 g 3 species in reaction 1.000 Mg++ 1.000 HCO3- -1.000 H+ 500.0000 2.5055 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Mercallite type= sulfate formula= KHSO4 mole vol.= 58.5900 cc mole wt.= 136.1638 g 3 species in reaction 1.000 H+ 1.000 K+ 1.000 SO4-- 500.0000 -1.4015 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Mirabilite type= sulfate formula= Na2SO4:10H2O mole vol.= 219.8000 cc mole wt.= 322.1892 g 3 species in reaction 2.000 Na+ 1.000 SO4-- 10.000 H2O 500.0000 -1.2135 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Misenite type= sulfate formula= K8H6(SO4)7 mole vol.= 0.0000 cc mole wt.= 991.2370 g 3 species in reaction 8.000 K+ 6.000 H+ 7.000 SO4-- 500.0000 -10.8060 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Na2CO3:7H2O type= carbonate formula= mole vol.= 153.7100 cc mole wt.= 232.0952 g 4 species in reaction 2.000 Na+ 7.000 H2O 1.000 HCO3- -1.000 H+ 500.0000 9.8794 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Na3H(SO4)2 type= sulfate formula= mole vol.= 0.0000 cc mole wt.= 262.0925 g 3 species in reaction 1.000 H+ 2.000 SO4-- 3.000 Na+ 500.0000 -.8143 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Nahcolite type= formula= NaHCO3 mole vol.= 38.6300 cc mole wt.= 84.0069 g 2 species in reaction 1.000 Na+ 1.000 HCO3- 500.0000 -.4025 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Natron type= formula= Na2CO3^10H2O mole vol.= 196.0000 cc mole wt.= 286.1408 g 4 species in reaction 2.000 Na+ 10.000 H2O 1.000 HCO3- -1.000 H+ 500.0000 9.5145 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Nesquehonite type= carbonate formula= Mg(HCO3)(OH):2H2O mole vol.= 74.7900 cc mole wt.= 138.3598 g 4 species in reaction 3.000 H2O 1.000 Mg++ 1.000 HCO3- -1.000 H+ 500.0000 5.1725 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Oxychloride-Mg type= halide formula= Mg2Cl(OH)3:4H2O mole vol.= 0.0000 cc mole wt.= 207.1457 g 4 species in reaction -3.000 H+ 7.000 H2O 1.000 Cl- 2.000 Mg++ 500.0000 26.0297 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Pirssonite type= carbonate formula= Na2Ca(CO3)2:2H2O mole vol.= 102.3000 cc mole wt.= 242.1084 g 5 species in reaction 2.000 Na+ 2.000 H2O 1.000 Ca++ 2.000 HCO3- -2.000 H+ 500.0000 11.4450 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Polyhalite type= formula= K2MgCa2(SO4)4^2H2O mole vol.= 218.0000 cc mole wt.= 602.9224 g 5 species in reaction 2.000 K+ 1.000 Mg++ 2.000 Ca++ 4.000 SO4-- 2.000 H2O 500.0000 -13.7440 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Portlandite type= hydroxide formula= Ca(OH)2 mole vol.= 33.0560 cc mole wt.= 74.0946 g 3 species in reaction 1.000 Ca++ 2.000 H2O -2.000 H+ 500.0000 22.8040 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Schoenite type= formula= K2Mg(SO4)2^6H2O mole vol.= 0.0000 cc mole wt.= 402.7080 g 4 species in reaction 2.000 K+ 1.000 Mg++ 2.000 SO4-- 6.000 H2O 500.0000 -4.3280 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Sylvite type= halide formula= KCl mole vol.= 37.5240 cc mole wt.= 74.5513 g 2 species in reaction 1.000 K+ 1.000 Cl- 500.0000 .8998 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Syngenite type= formula= K2Ca(SO4)2^H2O mole vol.= 124.2000 cc mole wt.= 328.4070 g 4 species in reaction 2.000 K+ 1.000 Ca++ 2.000 SO4-- 1.000 H2O 500.0000 -7.4480 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Tachyhydrite type= halide formula= Mg2CaCl6:12H2O mole vol.= 203.7800 cc mole wt.= 517.5904 g 4 species in reaction 12.000 H2O 6.000 Cl- 2.000 Mg++ 1.000 Ca++ 500.0000 17.3839 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Thenardite type= sulfate formula= Na2SO4 mole vol.= 53.3300 cc mole wt.= 142.0372 g 2 species in reaction 1.000 SO4-- 2.000 Na+ 500.0000 -.2875 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Thermonatrite type= carbonate formula= Na2CO3:H2O mole vol.= 54.9200 cc mole wt.= 124.0040 g 4 species in reaction 2.000 Na+ 1.000 H2O 1.000 HCO3- -1.000 H+ 500.0000 10.8214 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Trona type= formula= Na3H(CO3)2^2H2O mole vol.= 0.0000 cc mole wt.= 226.0261 g 4 species in reaction 3.000 Na+ -1.000 H+ 2.000 H2O 2.000 HCO3- 500.0000 9.2950 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 Trona-K type= carbonate formula= K2NaH(CO3)2:2H2O mole vol.= 0.0000 cc mole wt.= 258.2431 g 5 species in reaction 1.000 Na+ -1.000 H+ 2.000 H2O 2.000 K+ 2.000 HCO3- 500.0000 11.5763 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 -end- * Use TEdit to add solid solutions here globally, or add them locally * from the Solid Solutions... dialog in any of the GWB modeling apps. 0 solid solutions -end- 1 gases CO2(g) mole wt.= 44.0098 g chi= -1430.87 3.598 -.00227376 3.47644 -.0104247 8.46271e-6 Pcrit= 73.74 bar Tcrit= 304.12 K omega= .225 3 species in reaction -1.000 H2O 1.000 H+ 1.000 HCO3- 500.0000 -7.8051 500.0000 500.0000 500.0000 500.0000 500.0000 500.0000 -end- 6 oxides CaO mole wt.= 56.0794 g 3 species in reaction -2.000 H+ 1.000 Ca++ 1.000 H2O HCl mole wt.= 36.4609 g 2 species in reaction 1.000 H+ 1.000 Cl- K2O mole wt.= 94.1960 g 3 species in reaction -2.000 H+ 2.000 K+ 1.000 H2O MgO mole wt.= 40.3044 g 3 species in reaction -2.000 H+ 1.000 Mg++ 1.000 H2O Na2O mole wt.= 61.9790 g 3 species in reaction -2.000 H+ 2.000 Na+ 1.000 H2O SO3 mole wt.= 80.0582 g 3 species in reaction -1.000 H2O 1.000 SO4-- 2.000 H+ -end- * Virial coefficients from the HMW dataset. Entered by CMB, 10/26/94. * Source: Harvie et al., 1984. * * The first value on a data line ("val25") is the virial coefficient * value at 25 C. * * The temperature dependence of the virial coefficients beta0, beta1, * beta2, cphi, theta, lambda, and psi may be specified by appending as many * as five coefficients c1-c5 to a data line. The correlation equation is * * val = val25 + c1*(Tk-Tr) + c2*(1/Tk - 1/Tr) + c3*ln(Tk/Tr) + c4(Tk2-Tr2) * + c5*(1/Tk2 - 1/Tr2) * * where Tk is absolute temperature and Tr is 298.15 K. Hence, if c2-c5 are * zero (or omitted), then c1 is the first temperature derivative. * * Note, however, that the HMW model as originally published is limited * to 25 C. * * Input is parsed word-by-word; therefore, there is no need to align data * by column. Ca++ Cl- beta0 = .3159 beta1 = 1.614 beta2 = 0.0 cphi = -.00034 alpha1 = 2.0 alpha2 = 0.0 Ca++ HCO3- beta0 = .4 beta1 = 2.977 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Ca++ HSO4- beta0 = .2145 beta1 = 2.53 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Ca++ OH- beta0 = -.1747 beta1 = -.2303 beta2 = -5.72 cphi = 0.0 alpha1 = 2.0 alpha2 = 12.0 Ca++ SO4-- beta0 = .2 beta1 = 3.1973 beta2 = -54.24 cphi = 0.0 alpha1 = 1.4 alpha2 = 12.0 Cl- H+ beta0 = .1775 beta1 = .2945 beta2 = 0.0 cphi = 8e-4 alpha1 = 2.0 alpha2 = 0.0 Cl- K+ beta0 = .04835 beta1 = .2122 beta2 = 0.0 cphi = -.00084 alpha1 = 2.0 alpha2 = 0.0 Cl- Mg++ beta0 = .35235 beta1 = 1.6815 beta2 = 0.0 cphi = .00519 alpha1 = 2.0 alpha2 = 0.0 Cl- MgOH+ beta0 = -.1 beta1 = 1.658 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Cl- Na+ beta0 = .0765 beta1 = .2664 beta2 = 0.0 cphi = .00127 alpha1 = 2.0 alpha2 = 0.0 CO3-- K+ beta0 = .1488 beta1 = 1.43 beta2 = 0.0 cphi = -.0015 alpha1 = 2.0 alpha2 = 0.0 CO3-- Na+ beta0 = .0399 beta1 = 1.389 beta2 = 0.0 cphi = .0044 alpha1 = 2.0 alpha2 = 0.0 H+ HSO4- beta0 = .2065 beta1 = .5556 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 H+ SO4-- beta0 = .0298 beta1 = 0.0 beta2 = 0.0 cphi = .0438 alpha1 = 2.0 alpha2 = 0.0 HCO3- K+ beta0 = .0296 beta1 = -.013 beta2 = 0.0 cphi = -.008 alpha1 = 2.0 alpha2 = 0.0 HCO3- Mg++ beta0 = .329 beta1 = .6072 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 HCO3- Na+ beta0 = .0277 beta1 = .0411 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 HSO4- K+ beta0 = -3e-4 beta1 = .1735 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 HSO4- Mg++ beta0 = .4746 beta1 = 1.729 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 HSO4- Na+ beta0 = .0454 beta1 = .398 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 K+ OH- beta0 = .1298 beta1 = .32 beta2 = 0.0 cphi = .0041 alpha1 = 2.0 alpha2 = 0.0 K+ SO4-- beta0 = .04995 beta1 = .7793 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Mg++ SO4-- beta0 = .221 beta1 = 3.343 beta2 = -37.23 cphi = .025 alpha1 = 1.4 alpha2 = 12.0 Na+ OH- beta0 = .0864 beta1 = .253 beta2 = 0.0 cphi = .0044 alpha1 = 2.0 alpha2 = 0.0 Na+ SO4-- beta0 = .01958 beta1 = 1.113 beta2 = 0.0 cphi = .00497 alpha1 = 2.0 alpha2 = 0.0 -end- end of beta set, begin with theta set of 2nd virial coefficients Ca++ H+ theta = .092 Ca++ K+ theta = .032 Ca++ Mg++ theta = .007 Ca++ Na+ theta = .07 Cl- CO3-- theta = -.02 Cl- HCO3- theta = .03 Cl- HSO4- theta = -.006 Cl- OH- theta = -.05 Cl- SO4-- theta = .02 CO3-- HCO3- theta = -.04 CO3-- OH- theta = .1 CO3-- SO4-- theta = .02 H+ K+ theta = .005 H+ Mg++ theta = .1 H+ Na+ theta = .036 HCO3- SO4-- theta = .01 K+ Na+ theta = -.012 Mg++ Na+ theta = .07 OH- SO4-- theta = -.013 -end- end of theta set, begin with lambda set Ca++ CO2(aq) lambda = .183 Cl- CO2(aq) lambda = -.005 CO2(aq) HSO4- lambda = -.003 CO2(aq) K+ lambda = .051 CO2(aq) Mg++ lambda = .183 CO2(aq) Na+ lambda = .1 CO2(aq) SO4-- lambda = .097 -end- end of lambda set, begin with psi set Ca++ Cl- H+ psi = -.015 Ca++ Cl- K+ psi = -.025 Ca++ Cl- Mg++ psi = -.012 Ca++ Cl- Na+ psi = -.007 Ca++ Cl- OH- psi = -.025 Ca++ Cl- SO4-- psi = -.018 Ca++ Mg++ SO4-- psi = .024 Ca++ Na+ SO4-- psi = -.055 Cl- CO3-- K+ psi = .004 Cl- CO3-- Na+ psi = .0085 Cl- H+ HSO4- psi = .013 Cl- H+ K+ psi = -.011 Cl- H+ Mg++ psi = -.011 Cl- H+ Na+ psi = -.004 Cl- HCO3- Mg++ psi = -.096 Cl- HCO3- Na+ psi = -.015 Cl- HSO4- Na+ psi = -.006 Cl- K+ Mg++ psi = -.022 Cl- K+ Na+ psi = -.0018 Cl- K+ OH- psi = -.006 Cl- Mg++ MgOH+ psi = .028 Cl- Mg++ Na+ psi = -.012 Cl- Mg++ SO4-- psi = -.004 Cl- Na+ OH- psi = -.006 Cl- Na+ SO4-- psi = .0014 CO3-- HCO3- K+ psi = .012 CO3-- HCO3- Na+ psi = .002 CO3-- K+ Na+ psi = .003 CO3-- K+ OH- psi = -.01 CO3-- K+ SO4-- psi = -.009 CO3-- Na+ OH- psi = -.017 CO3-- Na+ SO4-- psi = -.005 H+ HSO4- K+ psi = -.0265 H+ HSO4- Mg++ psi = -.0178 H+ HSO4- Na+ psi = -.0129 H+ K+ SO4-- psi = .197 HCO3- K+ Na+ psi = -.003 HCO3- Mg++ SO4-- psi = -.161 HCO3- Na+ SO4-- psi = -.005 HSO4- K+ SO4-- psi = -.0677 HSO4- Mg++ SO4-- psi = -.0425 HSO4- Na+ SO4-- psi = -.0094 K+ Mg++ SO4-- psi = -.048 K+ Na+ SO4-- psi = -.01 K+ OH- SO4-- psi = -.05 Mg++ Na+ SO4-- psi = -.015 Na+ OH- SO4-- psi = -.009 -end- end of psi set