TABLE OF CONTENTS -- DATABANK PUBLIC Species Changed from Version 6.7 to Version 7.0 Page AG2MOO4 BACL2 BACL2.1H2O BACL2.2H2O -------- 1 BAMOO4 -------- 1 BASO4 BICL2ION BICL3 BICLION -------- 2 C6H5OH CAMOO4 CDMOO4 CEOH3 -------- 3 COIIMOO4 COIIOH2 CRIIIION CROH2ION -------- 4 CROH3 CROH4ION -------- 4 CROHION CUMOO4 DEXH DEXH2ION -------- 5 DGXH -------- 5 DGXH2ION DIPXH DIPXH2ION ERPO4 -------- 6 EUPO4 -------- 6 EYBPO4 EYOH3 FE8SEO14 FEMOO4 -------- 7 GDOH3 GDPO4 -------- 7 H2O H2PIPERAZINION HCN HGMOO4 -------- 8 HNO3 HOPO4 -------- 8 HPIPERAZINEION K2C2O4 K2C2O4.1H2O LA2MOO43 -------- 9 LAF3 LAF3.0.5H2O LAOH3 LAPO4 -------- 9 LAPO4.2H2O -------- 9 LUPO4 MDEXH MDEXH2ION MEXH -------- 10 MEXH2ION -------- 10 MNC2O4 MNC2O4.2H2O MNMOO4 MOO3 -------- 11 MOO4ION NA2C2O4 NA2MOO4 NA2MOO4.2H2O -------- 11 NA2SEO3 NA2SEO3.5H2O -------- 11 NA2TEO3 NA3FSO4 NA3NO3SO4.2H2O NA3PO4.1H2O -------- 12 NA3PO4.6H2O NA3PO4.8H2O NA4P2O7 NA4P2O7.10H2O -------- 12 NA6SO42CO3 NACL NAFPO4.19H2O NAH2PO4 -------- 13 NAH2PO4.2H2O NANO2 NANO3 NAPHOH.12H2O -------- 13 NDOH3 NDPO4 NH4VO3 NIC2O4 -------- 14 NIC2O4.2H2O NIMOO4 NPVO2OH OXALAC -------- 14 OXALAC.2H2O PBC2O4 -------- 14 PBMOO4 PIPERAZINE PUO2SO4 SMOH3 -------- 15 SNMOO4 -------- 15 SO2 SR3PO42 SRC2O4 SRC2O4.1H2O -------- 16 SRMOO4 TBPO4 -------- 16 TEXH TEXH2ION TMPO4 V2O5 -------- 17 ZNMOO4 ZRF4.1H2O ZRF4.3H2O ZRION -------- 18 ZRO2 ZROH2ION -------- 18 ZROH2ION ZROH3ION ZROH4 ZROH5ION -------- 19 ZROHION ZRSO42.1H2O -------- 20 Species Removed from Version 6.7 to Version 7.0 Removed species -------- 21 New Species from Version 6.7 to Version 7.0 New species -------- 22 Changed Species Interaction data from Version 6.7 to Version 7.0 ACETATEION - ALION BACLION - CLION -------- 23 BAION - CLION BAION - NAION -------- 23 BAION - SO4ION C6H5OH - C6H5OH -------- 23 C6H5OH - C6H5OH CNION - HION -------- 24 H2VO4ION - NH4ION HCN - HCN -------- 24 HION - HNO3 HION - NO3ION -------- 24 HION - SO2 HNO3 - HNO3 -------- 24 HNO3 - HNO3 HNO3 - NAION -------- 25 HNO3 - NO3ION HVO4ION - NH3 -------- 25 HVO4ION - NH4ION MOO4ION - NAION -------- 25 NAION - NANO3 NAION - NO2ION -------- 25 NAION - NO2ION NAION - NO3ION -------- 26 NANO3 - NANO3 NANO3 - SO4ION -------- 26 SO2 - SO2 -------- 26 New Species Interaction data from Version 6.7 to Version 7.0 New Species Interation Data -------- 27 Version 6.7 Version 7.0 Page 1 | AG2MOO4 ----------------------------------------------------------------------- | GREF -7.438500E+05 |GREF -7.511030E+05 HREF -8.388900E+05 |HREF -8.667750E+05 SREF 205.020004 |SREF 135.779297 |KFIT 16.97316 -6397.085938 |+ -2.423234E-02 0 0 0 0 | BACL2 ------------------------------------------------------------------------- | GREF -7.957680E+05 |GREF -8.084540E+05 HREF -8.440010E+05 |HREF -8.566860E+05 CPRE 75.139603 |CPRE 74.908791 CP1 69.370003 1.912900E-02 5900 0 0 |CP1 72.116432 1.081746E-02 |+ -88213.820312 6.293810E-06 0 |KFIT 42.819382 -8161.833984 |+ -5.447979E-02 0 0 0 0 | BACL2.1H2O -------------------------------------------------------------------- | MATC 5 22 1 21 0 |MATC 5 22 1 21 0 0 0 0 0 0 STOI 1 2 2 1 0 |STOI 1 2 2 1 0 0 0 0 0 0 GREF -1.039810E+06 |GREF -1.056380E+06 HREF -1.145750E+06 |HREF -1.161960E+06 SREF 163.175995 |SREF 164.468796 CPRE 117.988998 |CPRE 112.436996 KFIT -286.423004 40428.199219 |KFIT 20.617411 -3315.323975 + 0.676662 -5.213750E-04 0 |+ -3.011125E-02 0 0 0 0 CP1 117.988998 0 0 0 0 |CP1 95.351997 7.157200E-02 |+ -4.480000E+05 8.837000E-06 0 | BACL2.2H2O -------------------------------------------------------------------- | GREF -1.282940E+06 |GREF -1.296240E+06 HREF -1.446410E+06 |HREF -1.457540E+06 SREF 203.259003 |SREF 210.6138 CPRE 155.225998 |CPRE 154.860794 KFIT -4.64489 0 1.682900E-02 0 0 |KFIT 16.30628 -2762.731934 |+ -2.275239E-02 0 0 0 0 CP1 155.225998 0 0 0 0 |CP1 129.883804 0.114826 |+ -8.230020E+05 0 0 | BAMOO4 ------------------------------------------------------------------------ | GREF -1.425700E+06 |GREF -1.442210E+06 HREF -1.531200E+06 |HREF -1.546700E+06 SREF 147.279999 |SREF 150.6828 CPRE 119 |CPRE 122.230003 CP1 119 0 0 0 0 |CP1 138.509995 2.501800E-02 |+ -2.110100E+06 0 0 Version 6.7 Version 7.0 Page 2 | BASO4 ------------------------------------------------------------------------- | GREF -1.362200E+06 |GREF -1.362220E+06 HREF -1.473300E+06 |HREF -1.472690E+06 SREF 132.100998 |SREF 134.137405 CPRE 102.098 |CPRE 107.728798 KFIT 18.7085 -4790.844238 |KFIT 5.679871 -3267.593018 + -4.708508E-02 1.610070E-05 0 5.69|+ -1.022858E-02 -1.883770E-05 0 4.488520E-04 0 CP1 112.419998 5.155000E-02 |CP1 126.666199 2.071074E-02 + -2.284000E+06 0 0 |+ -2.291430E+06 7.480000E-06 0 GREF -1.320640E+06 |GREF -1.317230E+06 HREF -1.440930E+06 |HREF -1.442270E+06 SREF 101.348999 |SREF 85.276413 VREF 4.880000E-06 |VREF 3.704340E-04 CPRE -111.628998 |CPRE -50.111721 HKF 0.24237 -186.339996 -1.3957 |HKF 26.48535 -83943.367188 + -27020 -9.6936 -84807 -2683.30004|+ -6217.040039 1.886300E+07 5.009417 -84807 - KFIT 138.269196 -17816.330078 |KFIT -54.63818 6134.099121 0.14886 + -0.343483 2.656820E-04 0 -1.67891|+ -1.408420E-04 0 -3.844789E-03 0 | BICL2ION ---------------------------------------------------------------------- | GREF -2.054000E+05 |GREF -1.982440E+05 HREF -2.623300E+05 |HREF -2.941610E+05 SREF 23.497999 |SREF -107.263199 | BICL3 ------------------------------------------------------------------------- | MATC 226 22 0 0 0 |MATC 226 22 0 0 0 0 0 0 0 0 STOI 1 3 0 0 0 |STOI 1 3 0 0 0 0 0 0 0 0 |VREF 6.638700E-05 |**AQ LEVEL 1 |GREF -3.386660E+05 |HREF -4.156350E+05 |SREF 133.059692 |VREF 1.000000E-05 |CPRE 800 |HKF 0.31206 -15.883 5.8055 -27724 |+ 117.870003 359140 -3799.5 |HTYP 2 |EQUA BICL3AQ=BIION+3CLION |IONT 0 | BICLION ----------------------------------------------------------------------- | GREF -61270 |GREF -55537.820312 HREF -89362 |HREF -1.028140E+05 SREF -56.57 |SREF -120.889297 Version 6.7 Version 7.0 Page 3 | C6H5OH ------------------------------------------------------------------------ | CHEM C6H6O |CHEM C6H5OH SOLU 0 0 0 0 0 |SOLU 1.409929 0 -1.220678E-02 |+ 2.760110E-05 0 KFIT 6.11142 -1156.27002 2.522800E-02 |KFIT 2.848325 121.2033 2.522800E-02 + -7.708820E-05 0 0 0 |+ -7.708820E-05 0 0 0 GREF -49204 |GREF -51493.910156 HREF -1.095600E+05 |HREF -1.459740E+05 SREF 326.23999 |SREF 211.781799 VREF 0 |VREF 5.341700E-05 CPRE -395.899994 |CPRE 146.929398 ZRAC 0 |ZRAC 0.251644 HKF 0 0 0 0 -1.2128 95693 |HKF 0 0 0 0 -88.631432 157827 + 1.225600E+06 |+ -9.264360E+05 |**SO LEVEL 1 |GREF -50247.101562 |HREF -1.651000E+05 |SREF 143.449997 |VREF 8.787470E-05 |CPRE 126.75 |EQUA C6H5OHPPT=C6H5OHAQ |KFIT -1.59272 0 5.004000E-03 0 0 0 0 |TRN 1 |TTR 314.059998 0 0 0 0 0 0 0 |CP1 1253.880005 -8.08373 0 |+ 1.443300E-02 0 | CAMOO4 ------------------------------------------------------------------------ | GREF -1.436400E+06 |GREF -1.433300E+06 HREF -1.543100E+06 |HREF -1.539930E+06 SREF 122.589996 |SREF 122.591202 CP1 114.349998 0 0 0 0 |CP1 126.533997 2.171476E-02 |+ -1.658590E+06 0 0 |VREF 4.598060E-05 |KFIT 15.17328 -3831.311035 |+ -3.018571E-02 0 0 0 0 | CDMOO4 ------------------------------------------------------------------------ | GREF -9.886300E+05 |GREF -9.882110E+05 HREF -1.092400E+06 |HREF -1.092190E+06 SREF 142.259995 |SREF 141.696701 |KFIT 10.2693 -3570.12207 |+ -2.885322E-02 0 0 0 0 | CEOH3 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.286400E+06 |HREF -1.418600E+06 |SREF 129.411102 |CPRE 167.360001 |EQUA CEOH3PPT=CEION+3OHION |CP1 167.360001 0 0 0 0 Version 6.7 Version 7.0 Page 4 | COIIMOO4 ---------------------------------------------------------------------- | GREF -9.319400E+05 |GREF -9.322750E+05 HREF -1.031800E+06 |HREF -1.032480E+06 SREF 133.889999 |SREF 132.594803 | COIIOH2 ----------------------------------------------------------------------- | |VREF 2.584000E-05 | CRIIIION ---------------------------------------------------------------------- | GREF -2.039000E+05 |GREF -1.983000E+05 HREF -2.117000E+05 |HREF -2.429000E+05 SREF -316.299988 |SREF -321.825989 VREF -4.435160E-05 |VREF -3.955000E-05 CPRE -10 |CPRE 45.908291 HKF -0.336617 -1600.069946 12.039 |HKF -0.27824 -1457.089966 11.4661 + -21175.300781 30.3692 -35328.5 27|+ -21765 51.863811 -76992 274030 | CROH2ION ---------------------------------------------------------------------- | GREF -6.067000E+05 |GREF -6.164000E+05 SREF -134 |SREF -108.542 VREF 1.197300E-04 |VREF -5.738000E-06 CPRE 168 |CPRE 88.154694 HKF 7.21942 -26609.599609 |HKF 0.313164 -1063.849976 9.9161 + -597.169983 2.676320E+06 25.9387 |+ -23391 48.679409 -93085 94370 | CROH3 ------------------------------------------------------------------------- | GREF -8.126160E+05 |GREF -8.173000E+05 SREF -109.653999 |SREF 23.64765 VREF -5.514500E-05 |VREF 1.646200E-05 CPRE -421.579987 |CPRE 59.285091 HKF -4.92797 22033.800781 458.889008 |HKF 0.590424 -402.589996 7.3211 + -1.997660E+06 13.177 474428 79909|+ -26125 35.664989 -1.071400E+05 -3000 KFIT 0 0 0 0 0 |KFIT 0 0 0 0 0 0 0 GREF -8.468000E+05 |GREF -8.563000E+05 HREF -9.757100E+05 |HREF -9.851000E+05 SREF 95.400002 |SREF 95.031181 CPRE 116 |CPRE 250 CP1 116 0 0 0 0 |CP1 250 0 0 0 0 | CROH4ION ---------------------------------------------------------------------- | SREF -109 |SREF -110.585999 VREF 1.062400E-04 |VREF 2.772400E-05 CPRE -213 |CPRE 205.713104 HKF 5.76277 -41136.898438 65.330399 |HKF 0.993196 -484.029999 7.635 + 2.208830E+06 27.728001 -1.142440E|+ -25788 79.868317 -72511 173310 Version 6.7 Version 7.0 Page 5 | CROHION ----------------------------------------------------------------------- | GREF -4.184000E+05 |GREF -4.151000E+05 SREF -153.100006 |SREF -42.452202 VREF 4.086000E-05 |VREF -3.619000E-05 CPRE 31 |CPRE 206.155502 HKF 2.85269 -10733.700195 |HKF -0.26482 -1424.22998 11.3347 + -243.988998 1.088200E+06 31.395 9|+ -21901 65.285301 1024 176070 | CUMOO4 ------------------------------------------------------------------------ | GREF -8.103100E+05 |GREF -8.121560E+05 HREF -9.116900E+05 |HREF -8.878390E+05 SREF 131.800003 |SREF 217.953293 |KFIT 3.286778 -378.88559 |+ -2.983473E-02 0 0 0 0 | DEXH -------------------------------------------------------------------------- | CHEM C4H11NO2 |CHEM HN(C2H4OH)2 TCRI 715 |TCRI 623.150024 VCRI 3.490000E-07 |VCRI 3.490000E-04 HKF 0 0 0 0 27.7225 -72532 |HKF 1.521582 2038.598022 5.622473 + -6.106600E+05 |+ -36217.570312 58.587551 6468.173828 |KFIT -5.191054 3730.383057 |+ -7.246851E-03 2.391570E-05 0 0 0 |VREF 9.390000E-05 | DEXH2ION ---------------------------------------------------------------------- | CHEM C4H12NO2+1 |CHEM NH2(C2H4OH)2(+1) |VREF 9.390000E-05 |CPRE 290.950012 |HKF 1.610086 3153.256104 -6.643636 |+ -40825.558594 38.13121 111304 -9 |HTYP 4 |IONT 1 | DGXH -------------------------------------------------------------------------- | CHEM C4H11NO2 |CHEM NH2C2H4OC2H4OH TCRI 699 |TCRI 658.150024 HKF 0 0 0 0 196.100006 63541 |HKF 1.647722 2129.4021 -0.523283 + 1.202290E+06 |+ -36592.949219 2.407783 -40540 -63285 |KFIT -9.393408 4491.708008 |+ 5.022062E-03 -6.745770E-06 0 0 0 |VREF 9.620000E-05 |CPRE 0 Version 6.7 Version 7.0 Page 6 | DGXH2ION ---------------------------------------------------------------------- | CHEM C4H12NO2+1 |CHEM NH3C2H4OC2H4OH(+1) HTYP 0 |HTYP 4 IONT 0 |IONT 1 |VREF 9.620000E-05 |CPRE 0 |HKF 1.476325 2826.646973 -5.35992 |+ -39475.359375 -20.5842 -1.076120E | DIPXH ------------------------------------------------------------------------- | CHEM C6H15NO2 |CHEM NH(CH2CH(CH3)OH)2 HKF 0 0 0 0 12.6633 -4.273100E+05 |HKF 2.130125 2839.312012 -3.264564 + 670821 |+ -39527.71875 -0.745404 -40540 -9751 |KFIT -27.56665 11394.030273 |+ 8.213862E-02 -1.153050E-04 0 0 0 |VREF 1.230000E-04 |CPRE 0 |HTYP 4 | DIPXH2ION --------------------------------------------------------------------- | CHEM C6H16NO2+1 |CHEM NH2(CH2CH(CH3)OH)2(+1) HTYP 0 |HTYP 4 IONT 0 |IONT 1 |VREF 1.230000E-04 |CPRE 0 |HKF 1.829791 3689.715088 -8.752152 |+ -43043.28125 -37.577881 -1.54102 | ERPO4 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.822040E+06 |HREF -1.937190E+06 |SREF 138.072006 |CPRE 120.099998 |EQUA ERPO4PPT=ERION+PO4ION |MELT 2423.149902 |CP1 120.099998 0 0 0 0 | EUPO4 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.666270E+06 |HREF -1.786570E+06 |SREF 125.519997 |VREF 5.187630E-05 |CPRE 109.620796 |EQUA EUPO4PPT=EUIIIION+PO4ION |MELT 2473.149902 |TTR 773.150024 0 0 0 0 0 0 0 |CP1 109.620796 0 0 0 0 Version 6.7 Version 7.0 Page 7 | EYBPO4 ------------------------------------------------------------------------ | |**SO LEVEL 1 |GREF -1.770370E+06 |HREF -1.882800E+06 |SREF 133.888 |CPRE 120.099998 |EQUA EYBPO4PPT=EYBIIIION+PO4ION |MELT 2423.149902 |CP1 120.099998 0 0 0 0 | EYOH3 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.305240E+06 |HREF -1.439000E+06 |SREF 99.209999 |VREF 0 |CPRE 109.656197 |EQUA EYOH3PPT=EYION+3OHION |CP1 109.656197 0 0 0 0 | FE8SEO14 ---------------------------------------------------------------------- | **SO LEVEL 1 | GREF -3.189520E+06 | HREF -3.563510E+06 | SREF 438.064789 | VREF 2.500000E-04 | CPRE 528.020813 | EQUA FE8SEO14PPT+11HION=8FEIIIION+SEO3| + ION+11OHION | CP1 528.020996 0 0 0 0 | | FEMOO4 ------------------------------------------------------------------------ | GREF -9.619000E+05 |GREF -9.748720E+05 HREF -1.062200E+06 |HREF -1.075290E+06 SREF 129.289993 |SREF 129.161896 | GDOH3 ------------------------------------------------------------------------- | GREF -1.270200E+06 |GREF -1.276200E+06 HREF -1.402830E+06 |HREF -1.408900E+06 SREF 126.599998 |SREF 126.649696 | GDPO4 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.772130E+06 |HREF -1.886980E+06 |SREF 133.888 |VREF 5.157900E-05 |CPRE 120.5 |EQUA GDPO4PPT=GDION+PO4ION |MELT 2473.149902 |TTR 823.150024 0 0 0 0 0 0 0 |CP1 120.5 0 0 0 0 Version 6.7 Version 7.0 Page 8 | H2O --------------------------------------------------------------------------- | EXTE 0 | | H2PIPERAZINION ---------------------------------------------------------------- | MATC 1 370 0 0 0 0 0 0 0 0 |MATC 1 369 0 0 0 0 0 0 0 0 STOI 2 1 0 0 0 0 0 0 0 0 |STOI 4 1 0 0 0 GREF 66825.898438 |GREF 63270.871094 HREF -51456.898438 |HREF -1.330450E+05 SREF 470.574493 |SREF 208.860397 KFIT 8.887700E-02 -1612.170044 0 0 0 | + 0 0 | |VREF 6.550000E-05 |CPRE 1238.948975 |HKF 0 0 0 0 296.115997 0 0 | HCN --------------------------------------------------------------------------- | GREF 121584 |GREF 124879 HREF 132000 |HREF 124450 SREF 201.710999 |SREF 165.335403 CPRE 35.853901 |CPRE 251.450302 GREF 115700 |GREF 119812 HREF 110020 |HREF 100281 SREF 147.720001 |SREF 101.608002 CPRE -60.73 |CPRE 258.648712 KFIT 20.363199 -5121.140137 |KFIT -7.737287 2042.824951 + -5.107700E-02 3.157030E-05 0 |+ 6.320758E-03 0 0 0 0 |VREF 2.420000E-05 |KFIT 34.240429 -7097.786133 |+ -8.150950E-02 5.239840E-05 0 0 0 | HGMOO4 ------------------------------------------------------------------------ | |KFIT 8.541741 -5445.687012 |+ -2.693932E-02 0 0 0 0 | HNO3 -------------------------------------------------------------------------- | GREF -74014 |GREF -74665.421875 HREF -1.343000E+05 |HREF -1.371330E+05 SREF 266.389404 |SREF 259.070801 KFIT -6.48816 3447.870117 |KFIT 4.169522 -77.103996 + 2.357050E-04 0 0 0 0 |+ -8.419030E-03 0 0 0 0 KFIT 0 0 0 0 0 0 0 |KFIT 4.469722 1555.311035 |+ -1.589443E-02 0 0 0 0 | HOPO4 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.810020E+06 |HREF -1.924640E+06 |SREF 142.255997 |CPRE 120.099998 |EQUA HOPO4PPT=HOION+PO4ION |CP1 120.099998 0 0 0 0 Version 6.7 Version 7.0 Page 9 | HPIPERAZINEION ---------------------------------------------------------------- | MATC 370 1 0 0 0 0 0 0 0 0 |MATC 369 1 0 0 0 0 0 0 0 0 STOI 1 1 0 0 0 0 0 0 0 0 |STOI 1 3 0 0 0 GREF 97183.023438 |GREF 98397.21875 HREF -20592.390625 |HREF -91281.492188 SREF 472.289886 |SREF 231.122101 KFIT -2.21431 -2240.429932 0 0 0 0 0 | |VREF 7.920000E-05 |CPRE 1026.754028 |HKF -12.556 0 0 0 245.400101 0 0 | K2C2O4 ------------------------------------------------------------------------ | |VREF 6.860400E-05 | K2C2O4.1H2O ------------------------------------------------------------------- | |VREF 8.662000E-05 | LA2MOO43 ---------------------------------------------------------------------- | GREF -4.013810E+06 |GREF -4.000000E+06 HREF -4.323700E+06 |HREF -4.328770E+06 SREF 389.950012 |SREF 343.636902 CPRE 329.359985 |CPRE 329.364502 KFIT -11.7533 -533.333008 0 0 0 0 0 | CP1 329.399994 0 0 0 0 |CP1 329.364502 0 0 0 0 | LAF3 -------------------------------------------------------------------------- | |VREF 3.298100E-05 | LAF3.0.5H2O ------------------------------------------------------------------- | |VREF 4.198900E-05 | LAOH3 ------------------------------------------------------------------------- | |VREF 5.204900E-05 | LAPO4 ------------------------------------------------------------------------- | VREF 4.586000E-05 |VREF 5.676620E-05 |MELT 2573.149902 |TTR 673.150024 0 0 0 0 0 0 0 | LAPO4.2H2O -------------------------------------------------------------------- | |VREF 8.189200E-05 Version 6.7 Version 7.0 Page 10 | LUPO4 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.826530E+06 |HREF -1.941380E+06 |SREF 117.152 |CPRE 120.099998 |EQUA LUPO4PPT=LUION+PO4ION |CP1 120.099998 0 0 0 0 | MDEXH ------------------------------------------------------------------------- | CHEM C5H13NO2 |CHEM CH3N(C2H4OH)2 ACEN 1.3388 |ACEN 0.75 HKF 0 0 0 0 211.195007 156780 931845 |HKF 1.795113 2429.460938 1.619746 |+ -37833.390625 75.313347 21650.710 |KFIT 6.700744 1138.793945 |+ -2.290992E-02 3.151010E-05 0 0 0 |VREF 1.089000E-04 |CPRE 384.920013 |HTYP 4 |CHAR 0 | MDEXH2ION --------------------------------------------------------------------- | CHEM C5H14NO2+1 |CHEM CH3NH(C2H4OH)2(+1) MATC 629 1 |MATC 629 1 0 0 0 0 0 0 0 0 STOI 1 2 |STOI 1 2 0 0 0 0 0 0 0 0 SREF 498.378998 |SREF 498.378815 |VREF 1.100000E-04 |CPRE 384.928009 |HKF 1.639188 3224.315918 -6.922931 |+ -41119.320312 48.478909 157058 - |IONT 1 | MEXH -------------------------------------------------------------------------- | CHEM C2H7NO |CHEM NH2C2H4OH HKF 0 0 0 0 196.100006 63541 |HKF 1.049822 1140.771973 6.392769 + 1.202290E+06 |+ -32505.949219 39.273998 -28136.73046 |KFIT -6.752555 3730.370117 |+ -1.078953E-03 2.498310E-06 0 0 0 |VREF 5.920000E-05 |CPRE 185 |HTYP 4 | MEXH2ION ---------------------------------------------------------------------- | CHEM C2H8NO+1 |CHEM NH3C2H4OH(+1) GREF -2.806580E+05 |GREF -1.875830E+05 HREF -3.304250E+05 |HREF -3.304280E+05 SREF 187.520996 |SREF 187.5215 |VREF 5.920000E-05 |CPRE 185 |HKF 0.982043 1619.743042 -0.616268 |+ -34486.019531 -5.17825 -65464.82 |HTYP 4 |IONT 1 Version 6.7 Version 7.0 Page 11 | MNC2O4 ------------------------------------------------------------------------ | |VREF 5.883100E-05 | MNC2O4.2H2O ------------------------------------------------------------------- | |VREF 9.486300E-05 | MNMOO4 ------------------------------------------------------------------------ | GREF -1.091200E+06 |GREF -1.091180E+06 SREF 133.889999 |SREF 133.753693 | MOO3 -------------------------------------------------------------------------- | |MELT 1070 | MOO4ION ----------------------------------------------------------------------- | GREF -8.363820E+05 |GREF -8.384740E+05 HREF -9.978840E+05 |HREF -9.970470E+05 SREF 27.195999 |SREF 37.357601 HKF 0.69775 925.590027 2.1121 -31616 |HKF 0.69651 270.950012 18.661699 + 7.0224 -1.271000E+05 311450 |+ -28909 6.6829 -1.271020E+05 307770 | NA2C2O4 ----------------------------------------------------------------------- | |VREF 5.726500E-05 | NA2MOO4 ----------------------------------------------------------------------- | GREF -1.355200E+06 |GREF -1.353940E+06 HREF -1.469000E+06 |HREF -1.467750E+06 | NA2MOO4.2H2O ------------------------------------------------------------------ | GREF -1.831800E+06 |GREF -1.834630E+06 HREF -2.079000E+06 |HREF -2.041930E+06 SREF 242 |SREF 312.126404 CPRE 224 |CPRE 260.244812 KFIT -24.817301 2833.290039 | + 6.651400E-02 -5.531080E-05 0 | CP1 224 0 0 0 0 |CP1 260.100006 0 0 0 0 |VREF 9.451110E-05 | NA2SEO3 ----------------------------------------------------------------------- | |VREF 5.033700E-05 | NA2SEO3.5H2O ------------------------------------------------------------------ | |VREF 1.404200E-04 Version 6.7 Version 7.0 Page 12 | NA2TEO3 ----------------------------------------------------------------------- | GREF -9.853320E+05 |GREF -8.963170E+05 HREF -8.963170E+05 |HREF -9.853320E+05 | NA3FSO4 ----------------------------------------------------------------------- | GREF -1.826100E+06 |GREF -1.825270E+06 HREF -1.965900E+06 |HREF -1.965850E+06 SREF 228.740005 |SREF 225.876694 KFIT -2.50027 0 0 0 0 0 0 |KFIT -2.350677 0 0 0 0 0 0 |VREF 6.842000E-05 | NA3NO3SO4.2H2O ---------------------------------------------------------------- | GREF -2.112000E+06 |GREF -2.114400E+06 HREF -2.411240E+06 |HREF -2.417790E+06 SREF 461.877991 |SREF 447.958008 KFIT 0.298514 0 6.414050E-04 |KFIT 3.247513 -688.610474 + 1.156770E-06 0 0 0 |+ -2.567473E-03 0 0 0 0 CP1 0 0 0 0 0 |CP1 301.247986 0 0 0 0 |VREF 1.270000E-04 | NA3PO4.1H2O ------------------------------------------------------------------- | |VREF 8.263600E-05 | NA3PO4.6H2O ------------------------------------------------------------------- | |VREF 1.727200E-04 | NA3PO4.8H2O ------------------------------------------------------------------- | |VREF 2.087500E-04 | NA4P2O7 ----------------------------------------------------------------------- | GREF -2.629300E+06 |GREF -2.986540E+06 HREF -3.188000E+06 |HREF -3.183550E+06 SREF 270.290009 |SREF 344.218994 KFIT -119.542 20881.300781 0.159164 0 |KFIT -12.0116 2546.389893 0 0 0 0 0 + 0 0 0 | | NA4P2O7.10H2O ----------------------------------------------------------------- | GREF -5.336400E+06 |GREF -5.384550E+06 HREF -6.039000E+06 |HREF -6.209430E+06 SREF 689.099976 |SREF 569.252991 KFIT 585.177002 -65386.101562 |KFIT 44.694099 -10965.799805 + -1.84051 1.967000E-03 0 0 0 |+ -5.353460E-02 0 0 0 0 Version 6.7 Version 7.0 Page 13 | NA6SO42CO3 -------------------------------------------------------------------- | KFIT 7.34917 0 -3.291200E-02 0 0 0 0 |KFIT -0.140184 0 9.097819E-03 |+ -4.798720E-05 0 0 0 |SREF 573.040588 |VREF 1.517800E-04 |CPRE 366.899994 |CP1 366.899994 0 0 0 0 | NACL -------------------------------------------------------------------------- | |CP2 47.120998 7.219000E-03 20900 |+ 1.115600E-05 0 | NAFPO4.19H2O ------------------------------------------------------------------ | |VREF 4.024100E-04 | NAH2PO4 ----------------------------------------------------------------------- | |VREF 5.360700E-05 | NAH2PO4.2H2O ------------------------------------------------------------------ | VREF 7.225000E-05 |VREF 8.167950E-05 | NANO2 ------------------------------------------------------------------------- | GREF -2.895960E+05 |GREF -2.849760E+05 HREF -3.545980E+05 |HREF -3.528480E+05 SREF 106.001999 |SREF 124.441498 KFIT 0.667348 0 0 1.178950E-05 0 |KFIT 2.728105 -376.020508 |+ 4.401710E-04 0 0 0 0 |MELT 557.150024 | NANO3 ------------------------------------------------------------------------- | GREF -3.640700E+05 |GREF -3.665410E+05 HREF -4.556320E+05 |HREF -4.597060E+05 SREF 147.505005 |SREF 142.127594 KFIT 2.363083 -356.967987 |KFIT -7.904429 450.405212 + 9.819430E-04 0 0 0 0 |+ 3.775525E-02 -4.240680E-05 0 0 0 GREF -3.657150E+05 |GREF -3.675840E+05 HREF -4.386000E+05 |HREF -4.198710E+05 SREF 210.141998 |SREF 279.233398 CPRE 138.690002 |CPRE 515.369324 KFIT 0 0 0 0 0 0 0 |KFIT 66.344429 -6971.920898 -0.187637 |+ 1.562990E-04 0 0 0 | NAPHOH.12H2O ------------------------------------------------------------------ | |VREF 2.408200E-04 Version 6.7 Version 7.0 Page 14 | NDOH3 ------------------------------------------------------------------------- | GREF -1.246220E+06 |GREF -1.281220E+06 HREF -1.379000E+06 |HREF -1.413820E+06 SREF 129.869995 |SREF 130.540802 | NDPO4 ------------------------------------------------------------------------- | |VREF 5.486500E-05 |MELT 2523.149902 |TTR 723.150024 0 0 0 0 0 0 0 | NH4VO3 ------------------------------------------------------------------------ | GREF -8.780430E+05 |GREF -8.782170E+05 HREF -1.071870E+06 |HREF -1.080600E+06 SREF 43.021999 |SREF 14.31765 KFIT -19.027821 0 8.052159E-02 |KFIT 12.26385 0 -0.13472 2.841250E-04 + -8.544120E-05 0 0 0 |+ 0 0 0 | NIC2O4 ------------------------------------------------------------------------ | |VREF 8.158500E-05 | NIC2O4.2H2O ------------------------------------------------------------------- | |VREF 1.176200E-04 | NIMOO4 ------------------------------------------------------------------------ | GREF -9.500000E+05 |GREF -9.496220E+05 HREF -1.052300E+06 |HREF -1.052280E+06 SREF 125.519997 |SREF 124.196999 |KFIT 9.5 -2928.949951 -3.220897E-02 0 |+ 0 0 0 | NPVO2OH ----------------------------------------------------------------------- | |VREF 2.449100E-05 | OXALAC ------------------------------------------------------------------------ | |VREF 4.738700E-05 | OXALAC.2H2O ------------------------------------------------------------------- | |VREF 7.626700E-05 | PBC2O4 ------------------------------------------------------------------------ | |VREF 5.534300E-05 Version 6.7 Version 7.0 Page 15 | PBMOO4 ------------------------------------------------------------------------ | |KFIT 13.08263 -5825.665039 |+ -3.254920E-02 0 0 0 0 | PIPERAZINE -------------------------------------------------------------------- | MATC 370 0 0 0 0 0 0 0 0 0 |MATC 369 1 0 0 0 0 0 0 0 0 STOI 1 0 0 0 0 0 0 0 0 0 |STOI 1 2 0 0 0 ACEN 0.41376 |ACEN 0.3103 TCRI 638 |TCRI 661 PCRI 5.530000E+06 |PCRI 5.800000E+06 VCRI 3.100000E-04 |VCRI 2.680000E-04 BOIL 419.149994 |BOIL 418 GREF 185000 |GREF 185182 HREF 22300 |HREF 22299.759766 SREF 321.624115 |SREF 321 KFIT 5.658187 0 0 0 0 0 0 | GREF 152715 |GREF 153144 HREF 22300 |HREF -45785.511719 SREF 429.906006 |SREF 200.093704 **SO LEVEL 1 | GREF 161084 | HREF -40970 | SREF 186.815598 | CPRE 500.946106 |CPRE 542.572815 EQUA PIPERAZINEPPT=PIPERAZINEAQ | CP1 119.728996 0 0 0 0 | |VREF 8.542000E-05 |HKF 2.43509 0 0 0 84.338928 0 0 | PUO2SO4 ----------------------------------------------------------------------- | CHEM PuSO4 |CHEM PuO2SO4 | SMOH3 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.272050E+06 |HREF -1.406600E+06 |SREF 121.6866 |CPRE 112 |EQUA SMOH3PPT=SMIIIION+3OHION |CP1 112 0 0 0 0 | SNMOO4 ------------------------------------------------------------------------ | GREF -9.782200E+05 |GREF -9.777970E+05 HREF -1.079500E+06 |HREF -1.078640E+06 SREF 150.619995 |SREF 151.593597 Version 6.7 Version 7.0 Page 16 | SO2 --------------------------------------------------------------------------- | KFIT 0 0 0 0 0 0 0 |KFIT -10.37498 2255.131104 |+ 9.722084E-03 0 0 0 0 GREF -3.001400E+05 |GREF -3.011470E+05 HREF -3.202460E+05 |HREF -3.227630E+05 SREF 169.669998 |SREF 164.607498 VREF 0 |VREF 3.847000E-05 CPRE 0 |CPRE 134.913696 |KFIT 6.339673 -761.817322 |+ -1.892731E-02 0 0 0 0 | SR3PO42 ----------------------------------------------------------------------- | |VREF 9.995600E-05 | SRC2O4 ------------------------------------------------------------------------ | |VREF 5.471600E-05 | SRC2O4.1H2O ------------------------------------------------------------------- | |VREF 7.119700E-05 | SRMOO4 ------------------------------------------------------------------------ | GREF -1.449600E+06 |GREF -1.441460E+06 HREF -1.561500E+06 |HREF -1.543800E+06 SREF 119.239998 |SREF 151.093994 CPRE 123.300003 |CPRE 116.959999 CP1 123.300003 0 0 0 0 |CP1 146.380005 1.412400E-02 |+ -2.989300E+06 0 0 |KFIT 13.14961 -3428.858887 |+ -3.133793E-02 0 0 0 0 | TBPO4 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.788460E+06 |HREF -1.903720E+06 |SREF 138.072006 |VREF 4.790510E-05 |CPRE 120.5 |EQUA TBPO4PPT=TBION+PO4ION |MELT 2423.149902 |TTR 873.150024 0 0 0 0 0 0 0 |CP1 120.5 0 0 0 0 Version 6.7 Version 7.0 Page 17 | TEXH -------------------------------------------------------------------------- | CHEM C6H15NO3 |CHEM N(C2H4OH)3 TCRI 772.099976 |TCRI 533.150024 HKF 0 0 0 0 -0.76636 216206 |HKF 2.025945 2932.145996 3.997816 + -2.585800E+05 |+ -39911.488281 -4.499483 -40540 -1.38 |KFIT -11.30763 3311.021973 |+ 2.345055E-02 -2.397260E-05 0 0 0 |VREF 1.274000E-04 |CPRE 0 |HTYP 4 | TEXH2ION ---------------------------------------------------------------------- | CHEM C6H16NO3+1 |CHEM NH(C2H4OH)3(+1) |VREF 1.274000E-04 |CPRE 0 |HKF 1.875215 3800.628906 -9.188091 |+ -43501.800781 -56.518478 -2.0591 |HTYP 4 |IONT 1 | TMPO4 ------------------------------------------------------------------------- | |**SO LEVEL 1 |GREF -1.830690E+06 |HREF -1.982380E+06 |SREF 15.39443 |CPRE 100 |EQUA TMPO4PPT=TMION+PO4ION |CP1 100 0 0 0 0 | V2O5 -------------------------------------------------------------------------- | **SO LEVEL 1 | GREF -1.419980E+06 | HREF -1.551000E+06 | SREF 130.5 | VREF 5.417900E-05 | CPRE 127.769997 | EQUA .001V2O5PPT+.002HION=.002VO2ION+.| + 001H2O | TRN 1 | TTR 954 0 0 0 0 0 0 0 | HTR 64000 0 0 0 0 0 0 0 | CP1 190.878006 -9.277900E-02 | + -3.903400E+06 9.523200E-05 0 | Version 6.7 Version 7.0 Page 18 | ZNMOO4 ------------------------------------------------------------------------ | GREF -1.011700E+06 |GREF -1.011390E+06 HREF -1.115600E+06 |HREF -1.114520E+06 SREF 131.800003 |SREF 134.374298 | ZRF4.1H2O --------------------------------------------------------------------- | |VREF 5.576300E-05 | ZRF4.3H2O --------------------------------------------------------------------- | |VREF 9.179500E-05 | ZRION ------------------------------------------------------------------------- | MATC 183 0 0 0 0 |MATC 183 STOI 1 0 0 0 0 |STOI 1 GREF -5.576000E+05 |GREF -5.576020E+05 HREF -6.289800E+05 |HREF -6.289810E+05 SREF -461.5 |SREF -461.494995 VREF -5.430000E-05 |VREF -5.427000E-05 CPRE -12.97 |CPRE -12.9704 HTYP 0 |HTYP 4 IONT 0 |IONT 1 SPR 0.59 0.72 0.84 0.89 0 0 | | ZRO2 -------------------------------------------------------------------------- | MATC 183 21 0 0 0 |MATC 183 21 STOI 1 2 0 0 0 |STOI 1 2 GREF -1.042570E+06 |GREF -1.039720E+06 HREF -1.100100E+06 |HREF -1.097460E+06 SREF 50.389999 |SREF 50.358601 VREF 2.200000E-05 |VREF 2.115000E-05 CPRE 55.919998 |CPRE 56.053101 EQUA ZRO2PPT+2H2O=ZRION+4OHION |EQUA ZRO2PPT+4HION=ZRION+2H2O TRN 3 |TRN 2 TTR 1445 2620 2983 0 0 0 0 0 |TTR 1478 2950 0 0 0 0 0 0 HTR 8400 13000 90000 0 0 0 0 0 |HTR 5941 87027 0 0 0 0 0 0 CP1 68.329002 9.081000E-03 |CP1 69.622101 7.531000E-03 + -1.343800E+06 0 0 |+ -1.405850E+06 0 0 CP2 78 0 0 0 0 |CP2 74.474998 0 0 0 0 CP3 80 0 0 0 0 |CP3 87.863998 0 0 0 0 |MELT 2950 | ZROH2ION ---------------------------------------------------------------------- | CHEM Zr(OH)2+2 |CHEM ZR(OH)2+2 MATC 183 1 21 0 0 |MATC 183 21 1 STOI 1 2 2 0 0 |STOI 1 2 2 GREF -1.022200E+06 |GREF -1.022160E+06 HREF -1.157200E+06 |HREF -1.140620E+06 SREF -208.699997 |SREF -153.343994 VREF 1.478600E-05 |VREF 6.490000E-06 CPRE 359.809998 |CPRE 359.824005 HKF 0.903298 -1067 -37.851002 |HKF 0.19014 -313.640015 6.9769 + 95830.101562 80.285599 145165 204|+ -26492 23.371201 30141 186110 Version 6.7 Version 7.0 Page 19 |HTYP 4 |IONT 1 | ZROH3ION ---------------------------------------------------------------------- | MATC 183 1 21 0 0 |MATC 183 21 1 STOI 1 3 3 0 0 |STOI 1 3 3 GREF -1.240000E+06 |GREF -1.240150E+06 HREF -1.461900E+06 |HREF -1.395900E+06 SREF -175.600006 |SREF -45.8148 VREF 1.712300E-05 |VREF 4.800000E-06 CPRE 551.030029 |CPRE 551.03302 HKF 0.912226 -1014.799988 -38.066002 |HKF 0.27499 -106.629997 6.167 -27348 + 94626.101562 101.235001 239290 14|+ 38.0826 49504 97060 |HTYP 4 |KFIT -20.0226 2219.379883 0 0 0 0 0 |IONT 1 | ZROH4 ------------------------------------------------------------------------- | MATC 183 1 21 0 0 |MATC 183 21 1 STOI 1 4 4 0 0 |STOI 1 4 4 GREF -1.450900E+06 |GREF -1.451040E+06 HREF -1.684300E+06 |HREF -1.675400E+06 SREF -72.220001 |SREF -42.6768 VREF 3.964600E-05 |VREF 6.500000E-07 CPRE 544.719971 |CPRE 544.757019 ZRAC 0 | HKF 1.66896 -2079.5 -84.800003 |HKF 0.18643 -322.640015 7.0119 + 236179 91.735802 224928 -8374.200|+ -26455 38.416599 82708 -3000 HTYP 2 |HTYP 1 EQUA ZROH4AQ=ZROH3ION+OHION |EQUA 0.1ZROH4AQ=0.1ZRION+0.4OHION CHAR 0 | |KFIT -4.42198 -150.455994 0 0 0 0 0 |**SO LEVEL 1 |GREF -1.478500E+06 |HREF -1.650500E+06 |SREF 133.302002 |CPRE 104.599998 |EQUA 0.1ZROH4PPT=0.1ZRION+0.4OHION |KFIT -4.84728 -140.233002 0 0 0 0 0 | ZROH5ION ---------------------------------------------------------------------- | HREF -1.945000E+06 |HREF -1.966200E+06 SREF -38.799999 |SREF -109.900002 VREF 4.474700E-05 |VREF 4.470000E-05 CPRE 463.170013 |CPRE 469.029999 HKF 1.77514 -1408 -84.223 215522 |HKF 0.24042 -191.399994 6.5079 + 101.222 196584 221838 |+ -26998 95.255699 198002 253900 EQUA ZROH5ION=ZROH4AQ+OHION |EQUA 0.1ZROH5ION=0.1ZRION+0.5OHION |ZRAC 0 |KFIT -4.75086 -44.978199 0 0 0 0 0 Version 6.7 Version 7.0 Page 20 | ZROHION ----------------------------------------------------------------------- | MATC 183 21 1 0 0 |MATC 183 21 1 STOI 1 1 1 0 0 |STOI 1 1 1 GREF -7.964700E+05 |GREF -7.966340E+05 HREF -8.696000E+05 |HREF -8.891000E+05 SREF -299.600006 |SREF -299.574005 VREF -6.200000E-06 |VREF -1.269600E-05 CPRE 335.559998 |CPRE 335.557007 HKF 0.18174 -334.059998 7.0557 |HKF 9.279000E-02 -550.929993 7.9015 + -26408 77.724701 133021 266540 |+ -25511 56.743599 60097 266540 IONT 0 |IONT 1 |HTYP 4 | ZRSO42.1H2O ------------------------------------------------------------------- | |VREF 1.060100E-04 ------- Removed Species -------- Page 21 CR2SO43 EUIIOH FETE MGHCO3AMCT ------- New Species -------- Page 22 BI12P2O23 BI23P4O44 EUIIOH2 NNM2ACEAMD BI2P4O13 BI2PO4OOH BI3PO7 BI4P2O11 BI5PO10 BI7PO13 BIHPO34 BIP5O14 BIPO33 BIPO4 BICL4ION NDMA HNDMAION LIALCO3OH LIALCO3OH.3H2O AL2CO33 PENTANAL15 BACLION FEIINH33ION FEIINH34ION HPIPZNCARB PIPERZN.0.5H2O PIPERZN.6H2O PIPZNCARBION PIPZNDICARBION RHEL CAMOO4.0.5H2O CE2MOO43.2H2O CEMOO43ION CEMOO4ION DYMOO4ION ERMOO4ION EU2MOO43.2H2O EUMOO43ION EUMOO4ION EY2MOO43 EYBMOO4ION ND2MOO43 ND2MOO43.2H2O NDMOO43ION NDMOO4ION PR2MOO43 PR2MOO43.2H2O PRMOO4ION SM2MOO43.2H2O SMMOO43ION SMMOO4ION SNO TBMOO4ION ZRMO2O8 ZRMOO4ION FEMOO43ION FEMOO4ION GD2MOO43 GD2MOO43.2H2O GDMOO43ION GDMOO4ION HOMOO4ION LA2MOO43.2H2O LAMOO43ION LAMOO4ION PRMOO43ION CE2MOO43 EU2MOO43 SM2MOO43 ZRONO32 C4H7NO C3H3NO C4H4N2 C3H2NOION C4H6NOION BICINEION FEIIH2BIC2 FEIIH2BICIION H2BICINEION H3BICINE HBICINEION H4BICINEION OCP CLAPATITE FAPATITE CA5OHPO43 COHPO4.1.5H2O COHPO4 ERPO4.2H2O EUPO4.2H2O GDPO4.2H2O ZRHPO42 HOPO4.2H2O LUPO4.2H2O TBPO4.2H2O TMPO4.2H2O ZRHPO42.1H2O ZRHPO42.2H2O DYPO4.2H2O EYBPO4.2H2O PRPO4.2H2O CR2SO4 ET4NOH Version 6.7 Version 7.0 % Dif Page 23 ------------------------------------------------------------------------------- ACETATEION ALION BROMLEY 1 0.128160 0.000000 100.000 2 0.841510E-04 0.000000 100.000 3 0.196740E-05 0.000000 100.000 4-0.484600E-03 0.000000 100.000 5-0.918400E-05 0.000000 100.000 6-0.917800E-07 0.000000 100.000 7-0.118400E-04 0.000000 100.000 8 0.148650E-06 0.000000 100.000 9 0.130420E-08 0.000000 100.000 ------------------------------------------------------------------------------- BACLION CLION BROMLEY 1 0.659370E-01-0.125023E-01 146.795 2-0.838400E-04 0.878796E-02 101.926 3 0.783390E-06-0.275197E-04 105.860 4-0.884000E-03 0.494265E-01 103.642 5-0.261300E-05-0.159868E-02 99.6736 6-0.380000E-07 0.437610E-05 101.752 7 0.550010E-05-0.223446E-02 100.494 8 0.605770E-07 0.675015E-04 99.8207 9 0.549890E-09-0.177820E-06 100.620 ------------------------------------------------------------------------------- BAION CLION BROMLEY 1 0.178316E-01 0.144484 78.0285 2 0.384573E-03-0.110462E-02 206.819 3-0.125133E-05 0.283244E-05 258.285 4 0.181979E-01-0.137010E-01 709.353 5-0.155524E-03 0.153853E-03 18514.5 6 0.261070E-06-0.515120E-06 305.526 7-0.202339E-02 0.578424E-03 180.061 8 0.171786E-04-0.659558E-05 224.645 9-0.347187E-07 0.264165E-07 736.373 ------------------------------------------------------------------------------- BAION NAION BROMLEY 1-0.254925E-01-0.912605E-01 56.3309 2 0.366747E-04 0.828634E-03 91.5233 3 0.304103E-05 0.265779E-06 83.9253 4 0.982703E-03 0.781321E-02 77.6555 5 0.116015E-03 0.000000 100.000 6-0.883277E-06 0.000000 100.000 7-0.467942E-04 0.000000 100.000 8-0.548447E-05 0.000000 100.000 9 0.437255E-07 0.000000 100.000 ------------------------------------------------------------------------------- BAION SO4ION BROMLEY 1 -1.40634 -0.560100E-03 99.9204 2-0.401682E-02 0.235390E-03 112.450 3 0.158966E-03 0.241260E-05 97.0100 ------------------------------------------------------------------------------- C6H5OH C6H5OH PITZER 1-0.162850 0.000000 100.000 2 0.210600E-02 0.000000 100.000 3-0.140196E-04 0.000000 100.000 Version 6.7 Version 7.0 % Dif Page 24 ------------------------------------------------------------------------------- CNION HION BROMLEY 1 0.154450 0.659370E-01 40.1625 2-0.245400E-03-0.838400E-04 49.0706 3 0.579140E-06 0.783390E-06 14.9905 4-0.135600E-02-0.884000E-03 21.0714 5-0.482000E-05-0.261300E-05 29.6919 6-0.287700E-07-0.380000E-07 13.8236 7-0.119400E-05 0.550010E-05 155.456 8 0.131120E-06 0.605770E-07 36.7992 9 0.417770E-09 0.549890E-09 13.6536 ------------------------------------------------------------------------------- H2VO4ION NH4ION BROMLEY 1 0.659370E-01 -1.01084 113.956 2-0.838400E-04 0.298632E-01 100.563 3 0.783390E-06 0.000000 100.000 4-0.884000E-03 4.18612 100.042 5-0.261300E-05-0.474465E-01 99.9890 6-0.380000E-07 0.000000 100.000 7 0.550010E-05 0.000000 100.000 8 0.605770E-07 0.000000 100.000 9 0.549890E-09 0.000000 100.000 ------------------------------------------------------------------------------- HCN HCN PITZER 1-0.226640E-01-0.239835E-01 2.82867 2-0.905647E-04 0.112050E-03 943.039 3 0.137455E-05-0.407939E-05 201.636 ------------------------------------------------------------------------------- HION HNO3 PITZER 1 0.760130E-01 0.000000 100.000 2-0.223903E-03 0.000000 100.000 ------------------------------------------------------------------------------- HION NO3ION BROMLEY 1 0.458643 0.931109E-01 66.2491 2-0.104800E-02-0.189369E-03 69.3917 3 0.104671E-04-0.112340E-05 124.046 4-0.152827 -0.342560E-02 95.6153 5-0.107200E-02 0.557041E-08 100.001 6-0.820065E-05-0.287730E-07 99.3007 7 0.153110E-01 0.469989E-04 99.3880 8 0.207282E-03 0.199053E-06 99.8081 9 0.154482E-05 0.169511E-08 99.7808 ------------------------------------------------------------------------------- HION SO2 PITZER 1-0.517040E-01 0.319299E-01 422.946 2-0.161628E-03 0.000000 100.000 3 0.225334E-04 0.000000 100.000 ------------------------------------------------------------------------------- HNO3 HNO3 PITZER 1 0.576220E-01-0.657828E-01 1512.16 2-0.519003E-03 0.683557E-03 730.800 3 0.968516E-06 0.000000 100.000 Version 6.7 Version 7.0 % Dif Page 25 ------------------------------------------------------------------------------- HNO3 NAION PITZER 1 0.771009E-01 0.000000 100.000 2-0.236491E-02 0.000000 100.000 3 0.208587E-04 0.000000 100.000 ------------------------------------------------------------------------------- HNO3 NO3ION PITZER 1 0.760220E-01 0.000000 100.000 2-0.223111E-03 0.000000 100.000 ------------------------------------------------------------------------------- HVO4ION NH3 PITZER 1-0.216038 -0.197117 4.57964 2 0.164592E-02-0.236051E-02 560.660 3-0.181529E-03-0.929666E-04 32.2637 ------------------------------------------------------------------------------- HVO4ION NH3 DENSITY 1 -2.11554 -1.86546 6.28174 2-0.958579E-02-0.859352E-02 5.45821 3 0.113868E-03-0.155561E-04 131.646 ------------------------------------------------------------------------------- HVO4ION NH4ION BROMLEY 1 0.461532 0.460568 0.104542 2 0.576849E-02 0.673825E-02 7.75389 4-0.629618E-01 0.105021E-01 140.039 5 0.415911E-02 0.202109E-02 34.5947 ------------------------------------------------------------------------------- HVO4ION NH4ION DENSITY 1 23.2930 18.7298 10.8588 2 0.367568 0.366148 0.193534 3-0.598634E-02-0.397117E-02 20.2377 ------------------------------------------------------------------------------- MOO4ION NAION BROMLEY 1-0.134100E-01 0.702653E-01 147.172 2 0.162040E-03 0.000000 100.000 3 0.150180E-05 0.000000 100.000 4 0.699930E-03-0.525054E-02 130.762 5-0.791100E-05 0.000000 100.000 6-0.739400E-07 0.000000 100.000 7-0.106000E-04 0.000000 100.000 8 0.115090E-06 0.000000 100.000 9 0.107790E-08 0.000000 100.000 ------------------------------------------------------------------------------- NAION NANO3 PITZER 1-0.187008 0.000000 100.000 2-0.233887E-03 0.000000 100.000 3-0.459674E-06 0.000000 100.000 ------------------------------------------------------------------------------- NAION NO2ION BROMLEY 1 0.150370E-01 0.113230E-01 14.0897 2 0.385030E-04 0.603759E-04 22.1209 3 0.806830E-06-0.289569E-05 177.251 4-0.175550E-03-0.181439E-03 1.64963 5-0.377770E-05 0.184787E-05 291.506 6-0.438890E-07 0.107416E-06 238.174 7 0.534490E-06-0.123031E-04 109.083 8 0.673380E-07 0.219330E-07 50.8620 9 0.719540E-09-0.993932E-09 624.461 Version 6.7 Version 7.0 % Dif Page 26 ------------------------------------------------------------------------------- NAION NO3ION BROMLEY 1 0.343871E-01-0.180002E-01 319.691 2 0.305281E-03 0.334485E-03 4.56480 3 0.233778E-06-0.146446E-05 137.992 4 0.281410E-05 0.452786E-03 98.7647 5-0.155936E-04-0.146311E-04 3.18448 6-0.206258E-07 0.671850E-07 188.600 7-0.710149E-06 0.361057E-05 148.969 8-0.367249E-06 0.895863E-07 164.529 9 0.525595E-08-0.609971E-09 126.258 ------------------------------------------------------------------------------- NANO3 NANO3 PITZER 1 0.791771 1.18862 20.0391 2-0.194923E-02 0.819629E-02 162.405 3 0.372847E-07-0.200530E-04 100.373 ------------------------------------------------------------------------------- NANO3 SO4ION PITZER 1 0.590432 0.528903 5.49692 2-0.708271E-02 0.000000 100.000 3 0.443381E-04 0.000000 100.000 ------------------------------------------------------------------------------- SO2 SO2 PITZER 1-0.310100E-01 0.111371E-01 212.084 2-0.394000E-02-0.112373E-02 55.6166 3 0.485016E-04 0.463303E-05 82.5612 New Species Interaction Data Page 27 DEXH DEXH DENSITY DGXH DGXH DENSITY DIPXH DIPXH DENSITY MDEXH MDEXH DENSITY MEXH MEXH DENSITY TEXH TEXH DENSITY BICL2ION BICL4ION BROMLEY BICL2ION CLO4ION BROMLEY BICL4ION BICLION BROMLEY BICL4ION BIION BROMLEY BICL4ION BIOH2ION BROMLEY BICL4ION BIOHION BROMLEY BICL4ION HION BROMLEY BICL4ION NAION BROMLEY BICLION CLO4ION BROMLEY BIION CLO4ION BROMLEY NDMA NDMA PITZER NDMA OHION PITZER H2O PENTANAL15 PITZER PENTANAL15 PENTANAL15 PITZER H2VO4ION SO4ION BROMLEY CLION FEIINH34ION BROMLEY FEIIION NH4ION BROMLEY CO2 HPIPZNCARB PITZER H2PIPERAZINION HSION BROMLEY H2S HPIPERAZINEION PITZER HPIPERAZINEION HPIPZNCARB PITZER HPIPERAZINEION HSION BROMLEY HPIPERAZINEION MDEXH PITZER HPIPERAZINEION PIPERAZINE PITZER HPIPZNCARB MDEXH2ION PITZER HSION PIPERAZINE PITZER MDEXH PIPERAZINE PITZER PIPERAZINE PIPERAZINE PITZER C6H5OH CLION PITZER C6H5OH H2O SRK C6H5OH HION PITZER C6H5OH HSO4ION PITZER C6H5OH NAION PITZER C6H5OH NASO4ION PITZER C6H5OH SO4ION PITZER CAION HMOO4ION BROMLEY CECL2ION HMOO4ION BROMLEY CECL2ION MOO4ION BROMLEY CECL4ION CEMOO4ION BROMLEY CECLION CEMOO43ION BROMLEY CECLION HMOO4ION BROMLEY CECLION MOO4ION BROMLEY CEION CEMOO43ION BROMLEY CEION HMOO4ION BROMLEY CEION MOO4ION BROMLEY CEMOO43ION CEMOO4ION BROMLEY CEMOO43ION CEOH2ION BROMLEY CEMOO43ION CEOHION BROMLEY CEMOO43ION NAION BROMLEY CEMOO4ION CEOH4ION BROMLEY CEMOO4ION CLION BROMLEY CEMOO4ION HMOO4ION BROMLEY New Species Interaction Data Page 28 CEMOO4ION MOO4ION BROMLEY CEMOO4ION NO3ION BROMLEY CEOH2ION HMOO4ION BROMLEY CEOH2ION MOO4ION BROMLEY CEOHION HMOO4ION BROMLEY CEOHION MOO4ION BROMLEY CLION FEMOO4ION BROMLEY CLION LAMOO4ION BROMLEY CLION NDMOO4ION BROMLEY CLION PRMOO4ION BROMLEY CLION ZRMOO4ION BROMLEY FEMOO43ION NAION BROMLEY FEMOO4ION NO3ION BROMLEY HMOO4ION LACL2ION BROMLEY HMOO4ION LACLION BROMLEY HMOO4ION LAION BROMLEY HMOO4ION LAMOO4ION BROMLEY HMOO4ION LAOH2ION BROMLEY HMOO4ION LAOHION BROMLEY HMOO4ION NDCL2ION BROMLEY HMOO4ION NDCLION BROMLEY HMOO4ION NDION BROMLEY HMOO4ION NDOH2ION BROMLEY HMOO4ION NDOHION BROMLEY HMOO4ION PRCL2ION BROMLEY HMOO4ION PRCLION BROMLEY HMOO4ION PRION BROMLEY HMOO4ION PROH2ION BROMLEY HMOO4ION PROHION BROMLEY HMOO4ION ZRMOO4ION BROMLEY HMOO4ION ZROH2ION BROMLEY HMOO4ION ZROH3ION BROMLEY LACL2ION LAMOO43ION BROMLEY LACL2ION MOO4ION BROMLEY LACLION LAMOO43ION BROMLEY LACLION MOO4ION BROMLEY LAION LAMOO43ION BROMLEY LAMOO43ION LAMOO4ION BROMLEY LAMOO43ION LAOH2ION BROMLEY LAMOO43ION LAOHION BROMLEY LAMOO43ION NAION BROMLEY LAMOO4ION MOO4ION BROMLEY LAMOO4ION NO3ION BROMLEY LAMOO4ION OHION BROMLEY MOO4ION NDCL2ION BROMLEY MOO4ION NDION BROMLEY MOO4ION NDMOO4ION BROMLEY MOO4ION NDOH2ION BROMLEY MOO4ION NDOHION BROMLEY MOO4ION PRCL2ION BROMLEY MOO4ION PRION BROMLEY MOO4ION PRMOO4ION BROMLEY MOO4ION PROH2ION BROMLEY MOO4ION PROHION BROMLEY MOO4ION ZROH2ION BROMLEY MOO4ION ZROH3ION BROMLEY NAION NDMOO43ION BROMLEY NAION PRMOO43ION BROMLEY New Species Interaction Data Page 29 NDCL2ION NDMOO43ION BROMLEY NDCLION NDMOO43ION BROMLEY NDION NDMOO43ION BROMLEY NDMOO43ION NDMOO4ION BROMLEY NDMOO43ION NDOH2ION BROMLEY NDMOO43ION NDOHION BROMLEY NDMOO4ION OHION BROMLEY NO3ION ZRMOO4ION BROMLEY OHION PRMOO4ION BROMLEY OHION ZRMOO4ION BROMLEY PRCL2ION PRMOO43ION BROMLEY PRCLION PRMOO43ION BROMLEY PRION PRMOO43ION BROMLEY PRMOO43ION PRMOO4ION BROMLEY PRMOO43ION PROH2ION BROMLEY PRMOO43ION PROHION BROMLEY ZRCL5ION ZRMOO4ION BROMLEY ZRMOO4ION ZROH5ION BROMLEY CECL2ION CEMOO43ION BROMLEY MOO4ION NANO3 PITZER MOO4ION NO3ION BROMLEY MOO4ION OHION BROMLEY FEIIH2BICI2 H2BICINEION BROMLEY FEIIH2BICIION H2BICINEION BROMLEY FEIIION H2BICINEION BROMLEY H2BICINEION H3BICINE PITZER H3BICINE H3BICINE PITZER H3BICINE H4BICINEION PITZER CO3ION NASO4ION BROMLEY CO3ION OHION BROMLEY HNO3 NANO3 PITZER NACO3ION NASO4ION BROMLEY NACO3ION OHION BROMLEY NANO3 NASO4ION PITZER NASO4ION NO3ION BROMLEY NASO4ION OHION BROMLEY NO3ION SO4ION BROMLEY NANO3 OHION PITZER NO3ION OHION BROMLEY CROH4ION NO3ION BROMLEY