dataset of thermodynamic data for gwb programs dataset format: jul22 activity model: h-m-w fugacity model: peng-robinson * * -- based on phrqpitz data files * 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 16 elements Boron (B ) mole wt.= 10.8110 g Barium (Ba) mole wt.= 137.3300 g Bromine (Br) mole wt.= 79.9040 g Carbon (C ) mole wt.= 12.0110 g Calcium (Ca) mole wt.= 40.0800 g Chlorine (Cl) mole wt.= 35.4530 g Iron (Fe) mole wt.= 55.8470 g Hydrogen (H ) mole wt.= 1.0079 g Potassium (K ) mole wt.= 39.0983 g Lithium (Li) mole wt.= 6.9410 g Magnesium (Mg) mole wt.= 24.3050 g Manganese (Mn) mole wt.= 54.9380 g Sodium (Na) mole wt.= 22.9898 g Oxygen (O ) mole wt.= 15.9994 g Sulfur (S ) mole wt.= 32.0600 g Strontium (Sr) mole wt.= 87.6200 g -end- 16 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 B(OH)3 charge= 0 ion size= -.5 A mole wt.= 61.8329 g 3 elements in species 1.000 B 3.000 H 3.000 O Ba++ charge= 2 ion size= 5.0 A mole wt.= 137.3300 g 1 elements in species 1.000 Ba Br- charge= -1 ion size= 3.0 A mole wt.= 79.9040 g 1 elements in species 1.000 Br 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 Fe++ charge= 2 ion size= 6.0 A mole wt.= 55.8470 g 1 elements in species 1.000 Fe 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 Li+ charge= 1 ion size= 6.0 A mole wt.= 6.9410 g 1 elements in species 1.000 Li Mg++ charge= 2 ion size= 8.0 A mole wt.= 24.3050 g 1 elements in species 1.000 Mg Mn++ charge= 2 ion size= 6.0 A mole wt.= 54.9380 g 1 elements in species 1.000 Mn 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 Sr++ charge= 2 ion size= 5.0 A mole wt.= 87.6200 g 1 elements in species 1.000 Sr -end- 0 redox couples -end- 12 aqueous species B(OH)4- charge= -1 ion size= 4.0 A mole wt.= 78.8402 g 3 species in reaction -1.000 H+ 1.000 B(OH)3 1.000 H2O 9.2390 9.2390 9.2390 9.2390 9.2390 9.2390 9.2390 9.2390 B3O3(OH)4- charge= -1 ion size= 4.0 A mole wt.= 148.4604 g 3 species in reaction -2.000 H2O -1.000 H+ 3.000 B(OH)3 7.5280 7.5280 7.5280 7.5280 7.5280 7.5280 7.5280 7.5280 B4O5(OH)4-- charge= -2 ion size= 4.0 A mole wt.= 191.2702 g 3 species in reaction -3.000 H2O -2.000 H+ 4.000 B(OH)3 16.1340 16.1340 16.1340 16.1340 16.1340 16.1340 16.1340 16.1340 CaB(OH)4+ charge= 1 ion size= 4.0 A mole wt.= 118.9202 g 4 species in reaction 1.000 B(OH)3 1.000 Ca++ 1.000 H2O -1.000 H+ 7.5890 7.5890 7.5890 7.5890 7.5890 7.5890 7.5890 7.5890 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+ 7.5778 7.1882 6.5781 6.0704 5.9886 6.6596 8.1206 10.3544 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- -6.5639 -6.3372 -6.2757 -6.4121 -6.7550 -7.2180 -7.7711 -8.4029 CO3-- charge= -2 ion size= 4.5 A mole wt.= 60.0092 g 2 species in reaction 1.000 HCO3- -1.000 H+ 10.6392 10.3395 10.1544 10.1658 10.3975 10.7922 11.3027 11.9014 HSO4- charge= -1 ion size= 4.0 A mole wt.= 97.0655 g 2 species in reaction 1.000 SO4-- 1.000 H+ -1.6915 -1.9789 -2.4245 -2.9789 -3.7195 -4.4974 -5.3019 -6.1260 MgB(OH)4+ charge= 1 ion size= 4.0 A mole wt.= 103.1452 g 4 species in reaction 1.000 B(OH)3 1.000 Mg++ 1.000 H2O -1.000 H+ 7.8400 7.8400 7.8400 7.8400 7.8400 7.8400 7.8400 7.8400 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+ 7.8594 7.4114 6.9982 6.7349 6.6180 6.6686 6.8448 7.1214 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 12.8434 11.8090 10.6216 9.5373 8.4703 7.6287 6.9480 6.3861 OH- charge= -1 ion size= 3.5 A mole wt.= 17.0073 g 2 species in reaction 1.000 H2O -1.000 H+ 14.8933 13.9980 12.9703 12.0319 11.1084 10.3800 9.7909 9.3045 -end- 0 free electron -end- 44 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-- -4.4017 -4.3617 -4.9875 -6.3308 -8.5609 -11.1225 -13.8437 -16.6257 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+ 2.5378 2.1200 1.6334 1.1165 .4391 -.3183 -1.1704 -2.1173 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-- -2.1970 -1.7760 -1.2929 -.8517 -.4175 -.0750 .2020 .4306 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 4.5403 4.4551 4.3573 4.2679 4.1800 4.1107 4.0546 4.0083 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 -2.3470 -2.3470 -2.3470 -2.3470 -2.3470 -2.3470 -2.3470 -2.3470 Borax type= borate formula= Na2B4O5(OH)4:8H2O mole vol.= 222.7000 cc mole wt.= 381.3714 g 4 species in reaction 4.000 B(OH)3 2.000 Na+ 5.000 H2O -2.000 H+ 12.4640 12.4640 12.4640 12.4640 12.4640 12.4640 12.4640 12.4640 Boric acid type= formula= B(OH)3 mole vol.= 43.0900 cc mole wt.= 61.8329 g 1 species in reaction 1.000 B(OH)3 -.0300 -.0300 -.0300 -.0300 -.0300 -.0300 -.0300 -.0300 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+ 18.8456 17.1120 15.1221 13.3050 11.5169 10.1064 8.9658 8.0239 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+ 9.8672 9.5675 9.3824 9.3938 9.6255 10.0202 10.5307 11.1294 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+ 2.3314 1.9333 1.4692 .9729 .3157 -.4257 -1.2648 -2.2011 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 4.3300 4.3300 4.3300 4.3300 4.3300 4.3300 4.3300 4.3300 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+ 4.8284 3.5960 2.4991 1.8584 1.6688 1.9432 2.5476 3.4011 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 -2.2102 -1.8809 -1.5028 -1.1575 -.8177 -.5498 -.3330 -.1541 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+ 11.8574 11.2580 10.8878 10.9106 11.3740 12.1634 13.1844 14.3818 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+ -3.8030 -3.8030 -3.8030 -3.8030 -3.8030 -3.8030 -3.8030 -3.8030 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++ -5.2450 -5.2450 -5.2450 -5.2450 -5.2450 -5.2450 -5.2450 -5.2450 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 -4.6323 -4.5805 -4.6694 -4.9212 -5.3697 -5.9008 -6.4738 -7.0652 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- 1.5046 1.5700 1.5919 1.5605 1.4400 1.2041 .8263 .2888 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 -1.9173 -1.6346 -1.2092 -.7048 -.0720 .5477 1.1464 1.7211 K2B4O7^4H2O type= formula= K2B4O7^4H2O mole vol.= 0.0000 cc mole wt.= 305.4972 g 4 species in reaction 4.000 B(OH)3 2.000 K+ -1.000 H2O -2.000 H+ 13.9060 13.9060 13.9060 13.9060 13.9060 13.9060 13.9060 13.9060 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 -.1930 -.1930 -.1930 -.1930 -.1930 -.1930 -.1930 -.1930 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- .5812 .2815 .0964 .1078 .3395 .7342 1.2447 1.8434 KB5O8^4H2O type= formula= KB5O8^4H2O mole vol.= 0.0000 cc mole wt.= 293.2093 g 4 species in reaction 5.000 B(OH)3 1.000 K+ -3.000 H2O -1.000 H+ 4.6710 4.6710 4.6710 4.6710 4.6710 4.6710 4.6710 4.6710 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 -.1230 -.1230 -.1230 -.1230 -.1230 -.1230 -.1230 -.1230 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 -5.6720 -5.6720 -5.6720 -5.6720 -5.6720 -5.6720 -5.6720 -5.6720 Leonhadite type= formula= MgSO4^4H2O mole vol.= 0.0000 cc mole wt.= 192.4234 g 3 species in reaction 1.000 Mg++ 1.000 SO4-- 4.000 H2O -.8870 -.8870 -.8870 -.8870 -.8870 -.8870 -.8870 -.8870 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 -3.9790 -3.9790 -3.9790 -3.9790 -3.9790 -3.9790 -3.9790 -3.9790 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+ 3.2191 2.5055 1.8453 1.4229 1.2277 1.2857 1.5239 1.8978 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 -2.4895 -1.2135 -.1288 -.5304 -3.9710 -10.7741 -20.7986 -33.8082 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-- -10.8060 -10.8060 -10.8060 -10.8060 -10.8060 -10.8060 -10.8060 -10.8060 NaB5O8^5H2O type= formula= NaB5O8^5H2O mole vol.= 0.0000 cc mole wt.= 295.1160 g 4 species in reaction 5.000 B(OH)3 1.000 Na+ -2.000 H2O -1.000 H+ 5.8950 5.8950 5.8950 5.8950 5.8950 5.8950 5.8950 5.8950 NaBO2^4H2O type= formula= NaBO2^4H2O mole vol.= 0.0000 cc mole wt.= 137.8604 g 4 species in reaction 1.000 B(OH)3 1.000 Na+ 3.000 H2O -1.000 H+ 9.5680 9.5680 9.5680 9.5680 9.5680 9.5680 9.5680 9.5680 Nahcolite type= formula= NaHCO3 mole vol.= 38.6300 cc mole wt.= 84.0069 g 2 species in reaction 1.000 Na+ 1.000 HCO3- -.1028 -.4025 -.5876 -.5762 -.3445 .0502 .5607 1.1594 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+ 9.8142 9.5145 9.3294 9.3408 9.5725 9.9672 10.4777 11.0764 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+ 5.4722 5.1725 4.9874 4.9988 5.2305 5.6252 6.1357 6.7344 Pentahydrite type= sulfate formula= MgSO4:5H2O mole vol.= 221.9800 cc mole wt.= 210.4386 g 3 species in reaction 1.000 Mg++ 1.000 SO4-- 5.000 H2O -1.2850 -1.2850 -1.2850 -1.2850 -1.2850 -1.2850 -1.2850 -1.2850 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+ 12.0444 11.4450 11.0748 11.0976 11.5610 12.3504 13.3714 14.5688 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 -13.7440 -13.7440 -13.7440 -13.7440 -13.7440 -13.7440 -13.7440 -13.7440 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+ 24.5966 22.8060 20.7506 18.8738 17.0268 15.5700 14.3918 13.4190 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 -4.3280 -4.3280 -4.3280 -4.3280 -4.3280 -4.3280 -4.3280 -4.3280 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- .6175 .8998 1.2238 1.5197 1.8109 2.0405 2.2263 2.3796 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 -7.4480 -7.4480 -7.4480 -7.4480 -7.4480 -7.4480 -7.4480 -7.4480 Teepleite type= formula= Na2B(OH)4Cl mole vol.= 0.0000 cc mole wt.= 160.2728 g 5 species in reaction 1.000 B(OH)3 2.000 Na+ 1.000 Cl- 1.000 H2O -1.000 H+ 10.8400 10.8400 10.8400 10.8400 10.8400 10.8400 10.8400 10.8400 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- 9.8944 9.2950 8.9248 8.9476 9.4110 10.2004 11.2214 12.4188 -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- -7.6723 -7.8051 -8.0597 -8.3913 -8.8285 -9.2814 -9.7532 -10.2503 -end- 13 oxides B2O3 mole wt.= 69.6202 g 2 species in reaction -3.000 H2O 2.000 B(OH)3 BaO mole wt.= 153.3294 g 3 species in reaction -2.000 H+ 1.000 Ba++ 1.000 H2O CaO mole wt.= 56.0794 g 3 species in reaction -2.000 H+ 1.000 Ca++ 1.000 H2O FeO mole wt.= 71.8464 g 3 species in reaction -2.000 H+ 1.000 Fe++ 1.000 H2O HBr mole wt.= 80.9119 g 2 species in reaction 1.000 H+ 1.000 Br- 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 Li2O mole wt.= 29.8814 g 3 species in reaction -2.000 H+ 2.000 Li+ 1.000 H2O MgO mole wt.= 40.3044 g 3 species in reaction -2.000 H+ 1.000 Mg++ 1.000 H2O MnO mole wt.= 70.9374 g 3 species in reaction -2.000 H+ 1.000 Mn++ 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+ SrO mole wt.= 103.6194 g 3 species in reaction -2.000 H+ 1.000 Sr++ 1.000 H2O -end- * Virial coefficients from the phrqpitz dataset. Entered by CMB, 10/26/94. * Source: Plummer et al., 1988. * * The phrqpitz model is the HMW (Harvie et al., 1984) model with the * addition of data collected from the literature for Fe++, Mn++, Sr, Ba, Li, * Br, and B. The phrqpitz model also has provision for calculating * the temperature dependence of some of the virial coefficients. These * extensions, according to Plummer et al. (1988), are largely untested. * * 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(Tk^2-Tr^2) * + c5*(1/Tk^2 - 1/Tr^2) * * where Tk is absolute temperature and Tr is 298.15 K. Hence, if c2-c5 are * zero (or omitted), c1 is the first temperature derivative. * * Input is parsed word-by-word; therefore, there is no need to align data * by column. B(OH)4- K+ beta0 = .035 beta1 = .14 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 B(OH)4- Na+ beta0 = -.0427 beta1 = .089 beta2 = 0.0 cphi = .0114 alpha1 = 2.0 alpha2 = 0.0 B3O3(OH)4- K+ beta0 = -.13 beta1 = 0.0 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 B3O3(OH)4- Na+ beta0 = -.056 beta1 = -.91 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 B4O5(OH)4-- K+ beta0 = -.022 beta1 = 0.0 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 B4O5(OH)4-- Na+ beta0 = -.11 beta1 = -.4 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Ba++ Br- beta0 = .31455 -.00033825 beta1 = 1.56975 .00678 beta2 = 0.0 cphi = -.0159576 alpha1 = 2.0 alpha2 = 0.0 Ba++ Cl- beta0 = .2628 .0006405 beta1 = 1.49625 .0032325 beta2 = 0.0 cphi = -.0193782 -.000153796 alpha1 = 2.0 alpha2 = 0.0 Ba++ OH- beta0 = .17175 beta1 = 1.2 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Br- Ca++ beta0 = .3816 -.00052275 beta1 = 1.613 .0060375 beta2 = 0.0 cphi = -.00257 alpha1 = 2.0 alpha2 = 0.0 Br- H+ beta0 = .196 -.0002049 beta1 = .3564 .0004467 beta2 = 0.0 cphi = .00827 -5.685e-5 alpha1 = 2.0 alpha2 = 0.0 Br- K+ beta0 = .0569 .000739 beta1 = .2212 .00174 beta2 = 0.0 cphi = -.0018 -7.004e-5 alpha1 = 2.0 alpha2 = 0.0 Br- Li+ beta0 = .1748 -.0001819 beta1 = .2547 .0006636 beta2 = 0.0 cphi = .0053 -2.813e-5 alpha1 = 2.0 alpha2 = 0.0 Br- Mg++ beta0 = .4327 -5.625e-5 beta1 = 1.753 .0038625 beta2 = 0.0 cphi = .00312 alpha1 = 2.0 alpha2 = 0.0 Br- Na+ beta0 = .0973 .0007692 beta1 = .2791 .001079 beta2 = 0.0 cphi = .00116 -9.3e-5 alpha1 = 2.0 alpha2 = 0.0 Br- Sr++ beta0 = .331125 -.00032775 beta1 = 1.7115 .0065325 beta2 = 0.0 cphi = .00122506 alpha1 = 2.0 alpha2 = 0.0 Ca++ Cl- beta0 = .3159 -.0001725 beta1 = 1.614 .0039 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 .0546 beta2 = -54.24 -.516 cphi = 0.0 alpha1 = 1.4 alpha2 = 12.0 CaB(OH)4+ Cl- beta0 = .12 beta1 = 0.0 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Cl- Fe++ beta0 = .335925 beta1 = 1.53225 beta2 = 0.0 cphi = -.00860725 alpha1 = 2.0 alpha2 = 0.0 Cl- H+ beta0 = .1775 -.0003081 beta1 = .2945 .0001419 beta2 = 0.0 cphi = 8e-4 6.213e-5 alpha1 = 2.0 alpha2 = 0.0 Cl- K+ beta0 = .04835 .0005794 beta1 = .2122 .001071 beta2 = 0.0 cphi = -.00084 -5.095e-5 alpha1 = 2.0 alpha2 = 0.0 Cl- Li+ beta0 = .1494 -.0001685 beta1 = .3074 .0005366 beta2 = 0.0 cphi = .00359 -4.52e-5 alpha1 = 2.0 alpha2 = 0.0 Cl- Mg++ beta0 = .35235 -.0001943 beta1 = 1.6815 .0036525 beta2 = 0.0 cphi = .00519 -.000164933 alpha1 = 2.0 alpha2 = 0.0 Cl- MgB(OH)4+ beta0 = .16 beta1 = 0.0 beta2 = 0.0 cphi = 0.0 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- Mn++ beta0 = .327225 beta1 = 1.55025 beta2 = 0.0 cphi = -.0204972 alpha1 = 2.0 alpha2 = 0.0 Cl- Na+ beta0 = .0765 .008946 -777.03 -4.4706 -3.3158e-6 beta1 = .2664 6.1608e-5 0.0 0.0 1.0715e-6 beta2 = 0.0 cphi = .00127 -4.655e-5 33.317 .09421 alpha1 = 2.0 alpha2 = 0.0 Cl- Sr++ beta0 = .28575 .000717 beta1 = 1.66725 .0028425 beta2 = 0.0 cphi = -.00130461 alpha1 = 2.0 alpha2 = 0.0 CO3-- K+ beta0 = .1488 .001788 beta1 = 1.43 .002051 beta2 = 0.0 cphi = -.0015 alpha1 = 2.0 alpha2 = 0.0 CO3-- Na+ beta0 = .0399 .00179 beta1 = 1.389 .00205 beta2 = 0.0 cphi = .0044 alpha1 = 2.0 alpha2 = 0.0 Fe++ HSO4- beta0 = .4273 beta1 = 3.48 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Fe++ SO4-- beta0 = .2568 beta1 = 3.063 beta2 = -42.0 cphi = .0209 alpha1 = 1.4 alpha2 = 12.0 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 .000996 beta1 = -.013 .001104 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 .001 beta1 = .0411 .0011 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 HCO3- Sr++ beta0 = .12 beta1 = 0.0 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 .00144 beta1 = .7793 .0066975 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Li+ OH- beta0 = .015 beta1 = .14 beta2 = 0.0 cphi = 0.0 alpha1 = 2.0 alpha2 = 0.0 Li+ SO4-- beta0 = .136275 .0005055 beta1 = 1.2705 .00141 beta2 = 0.0 cphi = -.00399338 -.000233345 alpha1 = 2.0 alpha2 = 0.0 Mg++ SO4-- beta0 = .221 -.00069 beta1 = 3.343 .0153 beta2 = -37.23 -.253 cphi = .025 .000523 alpha1 = 1.4 alpha2 = 12.0 Mn++ SO4-- beta0 = .2065 beta1 = 2.9511 beta2 = -40.0 cphi = .01636 alpha1 = 1.4 alpha2 = 12.0 Na+ OH- beta0 = .0864 7e-4 beta1 = .253 .000134 beta2 = 0.0 cphi = .0044 -.0001894 alpha1 = 2.0 alpha2 = 0.0 Na+ SO4-- beta0 = .01958 .002367 beta1 = 1.113 .0056325 beta2 = 0.0 cphi = .00497 -.000487904 alpha1 = 2.0 alpha2 = 0.0 SO4-- Sr++ beta0 = .22 -.0029 beta1 = 2.88 .027 beta2 = -41.8 -.42 cphi = .019 .003 alpha1 = 1.4 alpha2 = 12.0 -end- end of beta set, begin with theta set of 2nd virial coefficients B(OH)4- Cl- theta = -.065 B(OH)4- SO4-- theta = -.012 B3O3(OH)4- Cl- theta = .12 B3O3(OH)4- HCO3- theta = -.1 B3O3(OH)4- SO4-- theta = .1 B4O5(OH)4-- Cl- theta = .074 B4O5(OH)4-- HCO3- theta = -.087 B4O5(OH)4-- SO4-- theta = .12 Br- OH- theta = -.065 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 B(OH)3 B3O3(OH)4- lambda = -.2 B(OH)3 Cl- lambda = .091 B(OH)3 K+ lambda = -.14 B(OH)3 Na+ lambda = -.097 B(OH)3 SO4-- lambda = .018 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 B(OH)3 Cl- H+ psi = -.0102 B(OH)3 Na+ SO4-- psi = .046 B(OH)4- Cl- Na+ psi = -.0073 B3O3(OH)4- Cl- Na+ psi = -.024 B4O5(OH)4-- Cl- Na+ psi = .026 Br- H+ K+ psi = -.021 Br- H+ Na+ psi = -.012 Br- K+ Na+ psi = -.0022 Br- K+ OH- psi = -.014 Br- Na+ OH- psi = -.018 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