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initial_atm_vMCMC_2024.txt
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initial_atm_vMCMC_2024.txt
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0.032 # MgO melt
0.001 # SiO2 melt
0.9211 #MgSiO3 melt
0.0005 #FeO melt, make small
0.0005 #FeSiO3 melt, 0.15 gives -1.55 for DIW at 0.9 xFe metal or 0.09 for -2
0.007 #Na2O melt
0.001 #Na2SiO3 melt
1.0e-9 #H2 melt
1.0e-9 #H2O melt
1.0e-9 #CO melt
1.0e-9 #CO2 melt
0.99 #Fe metal
1.0e-9 #Si metal
1.0e-9 #O metal
1.0e-9 #H metal
0.999 #H2 gas
0.001 #CO gas
1.0e-9 #CO2 gas
1.0e-9 #CH4 gas
1.0e-9 #O2 gas
1.0e-9 #H2O gas
1.0e-9 #Fe gas
1.0e-9 #Mg gas
1.0e-9 #SiO gas
1.0e-9 #Na gas
1.0e-13 #SiH4 gas
2300.0 #Moles atm, 250 is nominal
2000.0 #Moles silicate,
1800.0 #Moles metal
4.78 #Planet mass in Earth masses 0.5
3500.0 #surface T in K for 3000K at core-mantle boundary
300.0 #pressure penalty (weight)
1.5 # Weight factor for mass balance: wt_massbalance
0.5 # Weight factor for mole fraction sum constraints: wt_summing
1.0 #weight for atmosphere reactions: watm_m
1.0 #weight for solubility reactions: wsolub_m
5.0 #weight for intra-melt reactions: wmelt_m
5.0 # weight for evaporation reactions: wevap_m
1.0 #weight for f1: Na2SiO3 = Na2O + SiO2
1.0 #weight for f2: 1/2SiO2 + Fe = FeO + 1/2Si
1.0 #weight for f3: MgSiO3 = MgO + SiO2
1.0 #weight for f4: O + 1/2Si = 1/2SiO2
1.0 #weight for f5: 2Hmetal=H2,sil
1.0 #weight for f6: FeSiO3 = FeO + SiO2
2.0 #weight for f7: 2H2O,sil + Si=SiO2 + 2H2,sil
1.0 #weight for f8: CO,g + 1/2O2 = CO2,g
1.0 #weight for f9: CH4,g + 1/2O2 = 2H2,g + CO,g
5.0 #weight for f10: H2,g + 1/2O2 = H2O,g
1.0 #weight for f11: FeO = Fe,g + 1/2O2
1.0 #weight for f12: MgO = Mg,g + 1/2O2
1.0 #weight for f13: SiO2 = SiO,g + 1/2O2
1.0 #weight for f14: Na2O = 2Na,g + 1/2O2
0.5 #weight for f15: H2,g = H2,sil
1.0 #weight for f16: H2O,g = H2O,sil
2.0 #weight for f17: CO,g = CO,sil
1.0 #weight for f18: CO2,g = CO2,sil
1.0 #weight for f19: SiO + 3H2 = SiH4 + H2O
1.0 #weight for f20: Sum Si
1.0 #weight for f21: Sum Mg
5.0 #weight for f22: Sum O
1.0 #weight for f23: Sum Fe
5.0 #weight for f24: Sum H
1.0 #weight for f25: Sum Na
1.0 #weight for f26: Sum C
1.0 #weight for f27: melt mole fraction sum
1.0 #weight for f28: metal mole fraction sum
1.0 #weight for f29: atmosphere mole fraction sum
0 #integer seed, if 0 then seed is chosen randomly 36
2000 #of iterations at each temperature 20000
1.0e-06 #Offset in random positions of MCMC walkers, e.g. 1e-7 for xB or 1e-9 for xH2O
3500.0 # Core-mantle equilibration temperature