mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 16:44:49 +01:00
f2026ac2d3
git-subtree-dir: database git-subtree-mainline: 8daede105d635d73696050a98cc157fdd470a5ae git-subtree-split: 488636aea287b5f185979012d820ac17f1dd3492
78 lines
3.9 KiB
QBasic
78 lines
3.9 KiB
QBasic
10 base_species$ = "FeHCO3+"
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20 base_species_charge$ = "+"
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30 base_ligand$ = "HCO3-"
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40 prefix$ = "Fe"
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50 ligand_charge$ = "-"
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60 n1 = 72
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70 dim ligand$(n1)
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80 data "HCO3","HCO2[18O]","HCO[18O]O","HCO[18O]2",
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81 data "HC[18O]O2","HC[18O]O[18O]","HC[18O]2O","HC[18O]3"
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82 data "H[13C]O3","H[13C]O2[18O]","H[13C]O[18O]O","H[13C]O[18O]2",
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83 data "H[13C][18O]O2","H[13C][18O]O[18O]","H[13C][18O]2O","H[13C][18O]3"
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84 data "H[14C]O3","H[14C]O2[18O]","H[14C]O[18O]O","H[14C]O[18O]2",
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85 data "H[14C][18O]O2","H[14C][18O]O[18O]","H[14C][18O]2O","H[14C][18O]3"
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86 data "DCO3","DCO2[18O]","DCO[18O]O","DCO[18O]2",
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87 data "DC[18O]O2","DC[18O]O[18O]","DC[18O]2O","DC[18O]3"
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88 data "D[13C]O3","D[13C]O2[18O]","D[13C]O[18O]O","D[13C]O[18O]2",
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89 data "D[13C][18O]O2","D[13C][18O]O[18O]","D[13C][18O]2O","D[13C][18O]3"
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90 data "D[14C]O3","D[14C]O2[18O]","D[14C]O[18O]O","D[14C]O[18O]2",
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91 data "D[14C][18O]O2","D[14C][18O]O[18O]","D[14C][18O]2O","D[14C][18O]3"
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92 data "TCO3","TCO2[18O]","TCO[18O]O","TCO[18O]2",
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93 data "TC[18O]O2","TC[18O]O[18O]","TC[18O]2O","TC[18O]3"
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94 data "T[13C]O3","T[13C]O2[18O]","T[13C]O[18O]O","T[13C]O[18O]2",
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95 data "T[13C][18O]O2","T[13C][18O]O[18O]","T[13C][18O]2O","T[13C][18O]3"
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96 data "T[14C]O3","T[14C]O2[18O]","T[14C]O[18O]O","T[14C]O[18O]2",
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97 data "T[14C][18O]O2","T[14C][18O]O[18O]","T[14C][18O]2O","T[14C][18O]3"
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120 data_line = 79
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130 for i = 1 to n1
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140 if not ((i mod 4) = 1) then goto 170
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150 data_line = data_line + 1
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155 print data_line, i
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160 restore data_line
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170 read ligand$(i)
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180 next i
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200 for i = 1 to n1
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210 lhs$ = base_species$ + " + " + ligand$(i) + ligand_charge$
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220 rhs$ = prefix$ + ligand$(i) + base_species_charge$ + " + " + base_ligand$
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230 print lhs$ + " = " + rhs$
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240 next i
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250 end
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10000 rem data "OH","OD","OT","[18O]H","[18O]D","[18O]T"
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10180 rem data "CO3","CO2[18O]","CO[18O]2","C[18O]3"
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10181 rem data "[13C]O3","[13C]O2[18O]","[13C]O[18O]2","[13C][18O]3"
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10182 rem data "[14C]O3","[14C]O2[18O]","[14C]O[18O]2","[14C][18O]3"
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10279 REM HCO3 isotopomers
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10280 rem data "HCO3","HCO2[18O]","HCO[18O]O","HCO[18O]2",
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10281 rem data "HC[18O]O2","HC[18O]O[18O]","HC[18O]2O","HC[18O]3"
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10282 rem data "H[13C]O3","H[13C]O2[18O]","H[13C]O[18O]O","H[13C]O[18O]2",
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10283 rem data "H[13C][18O]O2","H[13C][18O]O[18O]","H[13C][18O]2O","H[13C][18O]3"
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10284 rem data "H[14C]O3","H[14C]O2[18O]","H[14C]O[18O]O","H[14C]O[18O]2",
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10285 rem data "H[14C][18O]O2","H[14C][18O]O[18O]","H[14C][18O]2O","H[14C][18O]3"
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10290 rem data "DCO3","DCO2[18O]","DCO[18O]O","DCO[18O]2",
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10291 rem data "DC[18O]O2","DC[18O]O[18O]","DC[18O]2O","DC[18O]3"
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10292 rem data "D[13C]O3","D[13C]O2[18O]","D[13C]O[18O]O","D[13C]O[18O]2",
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10293 rem data "D[13C][18O]O2","D[13C][18O]O[18O]","D[13C][18O]2O","D[13C][18O]3"
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10294 rem data "D[14C]O3","D[14C]O2[18O]","D[14C]O[18O]O","D[14C]O[18O]2",
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10295 rem data "D[14C][18O]O2","D[14C][18O]O[18O]","D[14C][18O]2O","D[14C][18O]3"
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10300 rem data "TCO3","TCO2[18O]","TCO[18O]O","TCO[18O]2",
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10301 rem data "TC[18O]O2","TC[18O]O[18O]","TC[18O]2O","TC[18O]3"
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10302 rem data "T[13C]O3","T[13C]O2[18O]","T[13C]O[18O]O","T[13C]O[18O]2",
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10303 rem data "T[13C][18O]O2","T[13C][18O]O[18O]","T[13C][18O]2O","T[13C][18O]3"
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10304 rem data "T[14C]O3","T[14C]O2[18O]","T[14C]O[18O]O","T[14C]O[18O]2",
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10305 rem data "T[14C][18O]O2","T[14C][18O]O[18O]","T[14C][18O]2O","T[14C][18O]3"
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10480 rem data "HCO3","HCO2[18O]","HCO[18O]2","HC[18O]3","H[13C]O3","H[13C]O2[18O]","H[13C]O[18O]2","H[13C][18O]3","H[14C]O3","H[14C]O2[18O]","H[14C]O[18O]2","H[14C][18O]3"
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10481 rem data "DCO3","DCO2[18O]","DCO[18O]2","DC[18O]3","D[13C]O3","D[13C]O2[18O]","D[13C]O[18O]2","D[13C][18O]3","D[14C]O3","D[14C]O2[18O]","D[14C]O[18O]2","D[14C][18O]3"
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10482 rem data "TCO3","TCO2[18O]","TCO[18O]2","TC[18O]3","T[13C]O3","T[13C]O2[18O]","T[13C]O[18O]2","T[13C][18O]3","T[14C]O3","T[14C]O2[18O]","T[14C]O[18O]2","T[14C][18O]3"
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20080 rem data "HSO4","DSO4","TSO4","H[34S]O4","D[34S]O4","T[34S]O4"
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30080 rem data "PO4","PO3[18O]","PO2[18O]2","PO[18O]3","P[18O]4"
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