Index

A

allocate_species() (in module VolFe.isotopes) alpha2Delta() (in module VolFe.isotopes) alpha_C_CH4v_CH4m() (in module VolFe.model_dependent_variables) alpha_C_CO2v_CO2m() (in module VolFe.model_dependent_variables) alpha_C_CO2v_CO32mm() (in module VolFe.model_dependent_variables) alpha_C_COv_COm() (in module VolFe.model_dependent_variables) alpha_gas_using_beta() (in module VolFe.isotopes) alpha_H_CH4v_CH4m() (in module VolFe.model_dependent_variables) alpha_H_H2Ov_H2Om() (in module VolFe.model_dependent_variables)

alpha_H_H2Ov_OHmm() (in module VolFe.model_dependent_variables) alpha_H_H2Sv_H2Sm() (in module VolFe.model_dependent_variables) alpha_H_H2v_H2m() (in module VolFe.model_dependent_variables) alpha_S_H2Sv_H2Sm() (in module VolFe.model_dependent_variables) alpha_S_H2Sv_S2mm() (in module VolFe.model_dependent_variables) alpha_S_SO2v_S6pm() (in module VolFe.model_dependent_variables) alphas_C() (in module VolFe.isotopes) alphas_H() (in module VolFe.isotopes) alphas_S() (in module VolFe.isotopes) av_m_g() (in module VolFe.isotopes)

B

beta_gas() (in module VolFe.model_dependent_variables)

bulk_composition() (in module VolFe.calculations)

C

C_CH4() (in module VolFe.model_dependent_variables) C_CO() (in module VolFe.model_dependent_variables) C_CO3() (in module VolFe.model_dependent_variables) C_H2() (in module VolFe.model_dependent_variables) C_H2O() (in module VolFe.model_dependent_variables) C_H2S() (in module VolFe.model_dependent_variables) C_S() (in module VolFe.model_dependent_variables) C_SO4() (in module VolFe.model_dependent_variables) C_X() (in module VolFe.model_dependent_variables) calc_comp_error() (in module VolFe.batch_calculations) calc_comp_error_function() (in module VolFe.batch_calculations) calc_fugacity_coefficients() (in module VolFe.batch_calculations) calc_gassing() (in module VolFe.batch_calculations) calc_isobar() (in module VolFe.batch_calculations) calc_isobar_CO2H2O() (in module VolFe.calculations) calc_isopleth() (in module VolFe.batch_calculations) calc_isopleth_CO2H2O() (in module VolFe.calculations) calc_isotopes() (in module VolFe.calculations) calc_isotopes_gassing() (in module VolFe.batch_calculations) calc_melt_S_oxybarometer() (in module VolFe.batch_calculations) calc_pure_solubility() (in module VolFe.batch_calculations) (in module VolFe.calculations) calc_Pvsat() (in module VolFe.batch_calculations) calc_sol_consts() (in module VolFe.batch_calculations) calc_sulfur_vcomp() (in module VolFe.batch_calculations) CH_CO2() (in module VolFe.differential_equations) check_default_options() (in module VolFe.model_dependent_variables) check_mass_balance() (in module VolFe.calculations) CHOFe_CH_CO() (in module VolFe.differential_equations) CHOFe_CH_CO2_2a() (in module VolFe.differential_equations) CHOFe_CH_CO_2() (in module VolFe.differential_equations) CHOFe_CH_O2() (in module VolFe.differential_equations) CHOFe_CH_O2_2() (in module VolFe.differential_equations) CHOFe_CH_O2_2a() (in module VolFe.differential_equations) CHOFe_CO_CO() (in module VolFe.differential_equations) CHOFe_CO_CO2_2a() (in module VolFe.differential_equations) CHOFe_CO_CO_2() (in module VolFe.differential_equations) CHOFe_CO_O2() (in module VolFe.differential_equations) CHOFe_CO_O2_2() (in module VolFe.differential_equations) CHOFe_CO_O2_2a() (in module VolFe.differential_equations) CHOFe_HC_H2_2() (in module VolFe.differential_equations)

CHOFe_HC_H2O_2a() (in module VolFe.differential_equations) CHOFe_HC_O2_2() (in module VolFe.differential_equations) CHOFe_HC_O2_2a() (in module VolFe.differential_equations) CHOFe_HO_H2_2() (in module VolFe.differential_equations) CHOFe_HO_H2O_2a() (in module VolFe.differential_equations) CHOFe_HO_O2_2() (in module VolFe.differential_equations) CHOFe_HO_O2_2a() (in module VolFe.differential_equations) CHOXFe_OCH_CH_CO() (in module VolFe.differential_equations) CHOXFe_OCH_CH_H2() (in module VolFe.differential_equations) CHOXFe_OCH_CH_O2() (in module VolFe.differential_equations) CHOXFe_OCH_CO_CO() (in module VolFe.differential_equations) CHOXFe_OCH_CO_H2() (in module VolFe.differential_equations) CHOXFe_OCH_CO_O2() (in module VolFe.differential_equations) CHOXFe_OCH_CX_CO() (in module VolFe.differential_equations) CHOXFe_OCH_CX_H2() (in module VolFe.differential_equations) CHOXFe_OCH_CX_O2() (in module VolFe.differential_equations) CHOXFe_OCX_CH_CO() (in module VolFe.differential_equations) CHOXFe_OCX_CH_O2() (in module VolFe.differential_equations) CHOXFe_OCX_CH_X() (in module VolFe.differential_equations) CHOXFe_OCX_CO_CO() (in module VolFe.differential_equations) CHOXFe_OCX_CO_O2() (in module VolFe.differential_equations) CHOXFe_OCX_CO_X() (in module VolFe.differential_equations) CHOXFe_OCX_CX_CO() (in module VolFe.differential_equations) CHOXFe_OCX_CX_O2() (in module VolFe.differential_equations) CHOXFe_OCX_CX_X() (in module VolFe.differential_equations) CHOXFe_OHX_HC_H2() (in module VolFe.differential_equations) CHOXFe_OHX_HC_O2() (in module VolFe.differential_equations) CHOXFe_OHX_HC_X() (in module VolFe.differential_equations) CHOXFe_OHX_HO_H2() (in module VolFe.differential_equations) CHOXFe_OHX_HO_O2() (in module VolFe.differential_equations) CHOXFe_OHX_HO_X() (in module VolFe.differential_equations) CHOXFe_OHX_HX_H2() (in module VolFe.differential_equations) CHOXFe_OHX_HX_O2() (in module VolFe.differential_equations) CHOXFe_OHX_HX_X() (in module VolFe.differential_equations) COFe_O2() (in module VolFe.differential_equations) compositions_within_error() (in module VolFe.calculations) conc_insolubles() (in module VolFe.calculations) COXFe_XC_CO() (in module VolFe.differential_equations) COXFe_XC_O2() (in module VolFe.differential_equations) COXFe_XO_CO() (in module VolFe.differential_equations) COXFe_XO_O2() (in module VolFe.differential_equations)

D

Dbuffer2fO2() (in module VolFe.melt_gas)

delta2ratio() (in module VolFe.isotopes) delta_standard() (in module VolFe.isotopes)

E

eq_C_melt() (in module VolFe.equilibrium_equations) eq_CH() (in module VolFe.equilibrium_equations) eq_CH_melt() (in module VolFe.equilibrium_equations) eq_CHOFe() (in module VolFe.equilibrium_equations) eq_CHOFe_2() (in module VolFe.equilibrium_equations) eq_CHOXFe() (in module VolFe.equilibrium_equations) eq_CHS_melt() (in module VolFe.equilibrium_equations) eq_COFe() (in module VolFe.equilibrium_equations) eq_COXFe() (in module VolFe.equilibrium_equations) eq_H_melt() (in module VolFe.equilibrium_equations) eq_HOFe() (in module VolFe.equilibrium_equations)

eq_HOXFe() (in module VolFe.equilibrium_equations) eq_HS_melt() (in module VolFe.equilibrium_equations) eq_S_melt() (in module VolFe.equilibrium_equations) eq_SCHOFe() (in module VolFe.equilibrium_equations) eq_SCHOFe_2() (in module VolFe.equilibrium_equations) eq_SCHOFe_3() (in module VolFe.equilibrium_equations) eq_SCOFe() (in module VolFe.equilibrium_equations) eq_SHOFe() (in module VolFe.equilibrium_equations) eq_SHOFe_2() (in module VolFe.equilibrium_equations) eq_SOFe() (in module VolFe.equilibrium_equations) eq_SOFe_melt() (in module VolFe.equilibrium_equations)

F

f_CH4() (in module VolFe.melt_gas) f_CO() (in module VolFe.melt_gas) f_CO2() (in module VolFe.melt_gas) f_H2() (in module VolFe.melt_gas) f_H2O() (in module VolFe.melt_gas) f_H2S() (in module VolFe.melt_gas) f_O2() (in module VolFe.model_dependent_variables) f_OCS() (in module VolFe.melt_gas) f_S2() (in module VolFe.melt_gas) f_SO2() (in module VolFe.melt_gas) f_SO3() (in module VolFe.melt_gas) f_X() (in module VolFe.melt_gas)

Fe3Fe2() (in module VolFe.melt_gas) Fe3FeT_i() (in module VolFe.melt_gas) FefO2_Borisov18_terms() (in module VolFe.model_dependent_variables) FefO2_KC91_Eq7_terms() (in module VolFe.model_dependent_variables) FefO2_KC91_EqA_terms() (in module VolFe.model_dependent_variables) FefO2_ONeill18_terms() (in module VolFe.model_dependent_variables) FMQ() (in module VolFe.model_dependent_variables) fO22Dbuffer() (in module VolFe.melt_gas) fO22Fe3FeT() (in module VolFe.model_dependent_variables) fO2_P_VSA() (in module VolFe.calculations) fO2_range_from_S() (in module VolFe.calculations) fO2_silm_sulf_anh() (in module VolFe.calculations)

G

gas_comp_all_open() (in module VolFe.calculations) gas_CS() (in module VolFe.melt_gas) gas_CS_alt() (in module VolFe.melt_gas) gas_elements() (in module VolFe.melt_gas) gas_molar_volume() (in module VolFe.model_dependent_variables)

gas_moles() (in module VolFe.melt_gas) gas_weight() (in module VolFe.melt_gas) gas_wf() (in module VolFe.melt_gas) gas_wft() (in module VolFe.melt_gas) graphite_saturation() (in module VolFe.calculations)

H

HOFe_O2() (in module VolFe.differential_equations) HOFe_O2_2() (in module VolFe.differential_equations) HOFe_O2_xenia() (in module VolFe.differential_equations)

HOXFe_XH_H2() (in module VolFe.differential_equations) HOXFe_XH_O2() (in module VolFe.differential_equations) HOXFe_XO_H2() (in module VolFe.differential_equations) HOXFe_XO_O2() (in module VolFe.differential_equations)

I

i2s9() (in module VolFe.isotopes)

initial_guesses() (in module VolFe.equilibrium_equations) iso_initial_guesses() (in module VolFe.isotopes)

J

jac_newton() (in module VolFe.equilibrium_equations)

jac_newton3() (in module VolFe.equilibrium_equations)

K

KCOg() (in module VolFe.model_dependent_variables) KCOHg() (in module VolFe.model_dependent_variables) KCOm() (in module VolFe.model_dependent_variables) KCOs() (in module VolFe.model_dependent_variables) KHOg() (in module VolFe.model_dependent_variables)

KHOm() (in module VolFe.model_dependent_variables) KHOSg() (in module VolFe.model_dependent_variables) KOCSg() (in module VolFe.model_dependent_variables) KOSg() (in module VolFe.model_dependent_variables) KOSg2() (in module VolFe.model_dependent_variables) KregH2O() (in module VolFe.model_dependent_variables)

L

lny_SS() (in module VolFe.model_dependent_variables)

M

M_m_ox() (in module VolFe.melt_gas) M_m_SO() (in module VolFe.melt_gas) make_df_and_add_model_defaults() (in module VolFe.model_dependent_variables) make_models_df() (in module VolFe.model_dependent_variables) mass_vol_rho() (in module VolFe.calculations) melt_cation_proportion() (in module VolFe.melt_gas) melt_comp() (in module VolFe.melt_gas) melt_density() (in module VolFe.model_dependent_variables) melt_elements() (in module VolFe.melt_gas) melt_H2O_CO2_eq() (in module VolFe.melt_gas) melt_mole_fraction() (in module VolFe.melt_gas) melt_normalise_wf() (in module VolFe.melt_gas) melt_pysulfsat() (in module VolFe.melt_gas) melt_single_O() (in module VolFe.melt_gas)

melt_speciation() (in module VolFe.equilibrium_equations) melt_species_ratios() (in module VolFe.calculations) mf_C_species() (in module VolFe.calculations) mf_H_species() (in module VolFe.calculations) mf_S_species() (in module VolFe.calculations) mf_S_species_old() (in module VolFe.calculations) mg_equilibrium() (in module VolFe.equilibrium_equations) module VolFe.batch_calculations VolFe.calculations VolFe.differential_equations VolFe.equilibrium_equations VolFe.isotopes VolFe.melt_gas VolFe.model_dependent_variables

N

new_bulk_regas_open() (in module VolFe.calculations) newton_raphson() (in module VolFe.equilibrium_equations) (in module VolFe.isotopes)

newton_raphson_old() (in module VolFe.equilibrium_equations) NNO() (in module VolFe.model_dependent_variables)

O

options_from_setup() (in module VolFe.batch_calculations)

overtotal2ratio() (in module VolFe.melt_gas)

P

p_CH4() (in module VolFe.melt_gas) p_CO() (in module VolFe.melt_gas) p_CO2() (in module VolFe.melt_gas) p_H2() (in module VolFe.melt_gas) p_H2O() (in module VolFe.melt_gas) p_H2S() (in module VolFe.melt_gas) p_O2() (in module VolFe.melt_gas) p_OCS() (in module VolFe.melt_gas)

p_S2() (in module VolFe.melt_gas) P_sat() (in module VolFe.calculations) P_sat_H2O_CO2() (in module VolFe.calculations) P_sat_sulf_anh() (in module VolFe.calculations) p_SO2() (in module VolFe.melt_gas) p_tot() (in module VolFe.melt_gas) P_VSA() (in module VolFe.calculations) p_X() (in module VolFe.melt_gas) parameters_Holland91() (in module VolFe.model_dependent_variables)

Q

Q_SS() (in module VolFe.model_dependent_variables)

R

ratio2delta() (in module VolFe.isotopes) ratio2overtotal() (in module VolFe.melt_gas) rename_output() (in module VolFe.isotopes) results_isotopes_gas_melt() (in module VolFe.batch_calculations) results_isotopes_model_options() (in module VolFe.batch_calculations) results_table_f_p_xg_y_M_C_K_d() (in module VolFe.batch_calculations) results_table_isotopes() (in module VolFe.batch_calculations)

results_table_isotopes_d() (in module VolFe.batch_calculations) results_table_melt_comp_etc() (in module VolFe.batch_calculations) results_table_melt_vol() (in module VolFe.batch_calculations) results_table_model_options() (in module VolFe.batch_calculations) results_table_open_all_gas() (in module VolFe.batch_calculations) results_table_sample_name() (in module VolFe.batch_calculations) results_table_sat() (in module VolFe.batch_calculations)

S

S6S2() (in module VolFe.melt_gas) S6S2_2_fO2() (in module VolFe.melt_gas) S6ST() (in module VolFe.melt_gas) S_given_T_P_fO2_C_H() (in module VolFe.calculations) SCAS() (in module VolFe.model_dependent_variables) SCHOFe2_OCH_CH_CO() (in module VolFe.differential_equations) SCHOFe2_OCH_CH_H2() (in module VolFe.differential_equations) SCHOFe2_OCH_CH_O2() (in module VolFe.differential_equations) SCHOFe2_OCH_CO_CO() (in module VolFe.differential_equations) SCHOFe2_OCH_CO_H2() (in module VolFe.differential_equations) SCHOFe2_OCH_CO_O2() (in module VolFe.differential_equations) SCHOFe2_OCH_CS_CO() (in module VolFe.differential_equations) SCHOFe2_OCH_CS_H2() (in module VolFe.differential_equations) SCHOFe2_OCH_CS_O2() (in module VolFe.differential_equations) SCHOFe2_OCS_CH_CO() (in module VolFe.differential_equations) SCHOFe2_OCS_CH_O2() (in module VolFe.differential_equations) SCHOFe2_OCS_CH_S2() (in module VolFe.differential_equations) SCHOFe2_OCS_CO_CO() (in module VolFe.differential_equations) SCHOFe2_OCS_CO_O2() (in module VolFe.differential_equations) SCHOFe2_OCS_CO_S2() (in module VolFe.differential_equations) SCHOFe2_OCS_CS_CO() (in module VolFe.differential_equations) SCHOFe2_OCS_CS_O2() (in module VolFe.differential_equations) SCHOFe2_OCS_CS_S2() (in module VolFe.differential_equations) SCHOFe2_OHS_HC_H2() (in module VolFe.differential_equations) SCHOFe2_OHS_HC_O2() (in module VolFe.differential_equations) SCHOFe2_OHS_HC_S2() (in module VolFe.differential_equations) SCHOFe2_OHS_HO_H2() (in module VolFe.differential_equations) SCHOFe2_OHS_HO_O2() (in module VolFe.differential_equations) SCHOFe2_OHS_HO_S2() (in module VolFe.differential_equations) SCHOFe2_OHS_HS_H2() (in module VolFe.differential_equations) SCHOFe2_OHS_HS_O2() (in module VolFe.differential_equations) SCHOFe2_OHS_HS_S2() (in module VolFe.differential_equations) SCHOFe3_OCS_CH_CO() (in module VolFe.differential_equations) SCHOFe3_OCS_CH_O2() (in module VolFe.differential_equations) SCHOFe3_OCS_CH_S2() (in module VolFe.differential_equations) SCHOFe3_OCS_CO_CO() (in module VolFe.differential_equations) SCHOFe3_OCS_CO_O2() (in module VolFe.differential_equations) SCHOFe3_OCS_CO_S2() (in module VolFe.differential_equations) SCHOFe3_OCS_CS_CO() (in module VolFe.differential_equations) SCHOFe3_OCS_CS_O2() (in module VolFe.differential_equations) SCHOFe3_OCS_CS_S2() (in module VolFe.differential_equations) SCHOFe_OCH_CH_CO() (in module VolFe.differential_equations)

SCHOFe_OCH_CH_H2() (in module VolFe.differential_equations) SCHOFe_OCH_CH_O2() (in module VolFe.differential_equations) SCHOFe_OCH_CO_CO() (in module VolFe.differential_equations) SCHOFe_OCH_CO_H2() (in module VolFe.differential_equations) SCHOFe_OCH_CO_O2() (in module VolFe.differential_equations) SCHOFe_OCH_CS_CO() (in module VolFe.differential_equations) SCHOFe_OCH_CS_H2() (in module VolFe.differential_equations) SCHOFe_OCH_CS_O2() (in module VolFe.differential_equations) SCHOFe_OCS_CH_CO() (in module VolFe.differential_equations) SCHOFe_OCS_CH_O2() (in module VolFe.differential_equations) SCHOFe_OCS_CH_S2() (in module VolFe.differential_equations) SCHOFe_OCS_CO_CO() (in module VolFe.differential_equations) SCHOFe_OCS_CO_O2() (in module VolFe.differential_equations) SCHOFe_OCS_CO_S2() (in module VolFe.differential_equations) SCHOFe_OCS_CS_CO() (in module VolFe.differential_equations) SCHOFe_OCS_CS_O2() (in module VolFe.differential_equations) SCHOFe_OCS_CS_S2() (in module VolFe.differential_equations) SCHOFe_OHS_HC_H2() (in module VolFe.differential_equations) SCHOFe_OHS_HC_O2() (in module VolFe.differential_equations) SCHOFe_OHS_HC_S2() (in module VolFe.differential_equations) SCHOFe_OHS_HO_H2() (in module VolFe.differential_equations) SCHOFe_OHS_HO_O2() (in module VolFe.differential_equations) SCHOFe_OHS_HO_S2() (in module VolFe.differential_equations) SCHOFe_OHS_HS_H2() (in module VolFe.differential_equations) SCHOFe_OHS_HS_O2() (in module VolFe.differential_equations) SCHOFe_OHS_HS_S2() (in module VolFe.differential_equations) SCOFe_SC_O2() (in module VolFe.differential_equations) SCOFe_SC_S2() (in module VolFe.differential_equations) SCOFe_SO_O2() (in module VolFe.differential_equations) SCOFe_SO_S2() (in module VolFe.differential_equations) SCSS() (in module VolFe.model_dependent_variables) set_system() (in module VolFe.equilibrium_equations) SHOFe2_HO_O2() (in module VolFe.differential_equations) SHOFe2_HO_S2() (in module VolFe.differential_equations) SHOFe2_HS_O2() (in module VolFe.differential_equations) SHOFe2_HS_S2() (in module VolFe.differential_equations) SHOFe_SH_O2() (in module VolFe.differential_equations) SHOFe_SH_S2() (in module VolFe.differential_equations) SHOFe_SO_O2() (in module VolFe.differential_equations) SHOFe_SO_S2() (in module VolFe.differential_equations) simple_isotope_fractionation() (in module VolFe.isotopes) SOFe_O2() (in module VolFe.differential_equations) sulfur_saturation() (in module VolFe.calculations)

V

vol_CORK() (in module VolFe.model_dependent_variables) vol_sCORK() (in module VolFe.model_dependent_variables) VolFe.batch_calculations module VolFe.calculations module VolFe.differential_equations module

VolFe.equilibrium_equations module VolFe.isotopes module VolFe.melt_gas module VolFe.model_dependent_variables module

W

wm_CO32_CO2mol() (in module VolFe.melt_gas) Wm_Fe2O3() (in module VolFe.melt_gas) wm_Fe_nv() (in module VolFe.melt_gas) Wm_FeO() (in module VolFe.melt_gas) Wm_FeOT() (in module VolFe.melt_gas)

Wm_FeT() (in module VolFe.melt_gas) wm_H2Omol_OH() (in module VolFe.melt_gas) wm_nvol() (in module VolFe.melt_gas) wm_S() (in module VolFe.melt_gas) wm_SO3() (in module VolFe.melt_gas) wm_vol() (in module VolFe.melt_gas)

X

xg_CH4() (in module VolFe.melt_gas) xg_CO() (in module VolFe.melt_gas) xg_CO2() (in module VolFe.melt_gas) xg_H2() (in module VolFe.melt_gas) xg_H2O() (in module VolFe.melt_gas) xg_H2S() (in module VolFe.melt_gas) xg_O2() (in module VolFe.melt_gas) xg_OCS() (in module VolFe.melt_gas) xg_S2() (in module VolFe.melt_gas) xg_SO2() (in module VolFe.melt_gas) Xg_tot() (in module VolFe.melt_gas)

xg_X() (in module VolFe.melt_gas) Xm_CO2() (in module VolFe.melt_gas) xm_CO2_so() (in module VolFe.melt_gas) xm_CO32_CO2mol() (in module VolFe.melt_gas) xm_H2Omol_so() (in module VolFe.melt_gas) Xm_H2OT() (in module VolFe.melt_gas) xm_H2OT_so() (in module VolFe.melt_gas) Xm_m_so() (in module VolFe.melt_gas) xm_melt_so() (in module VolFe.melt_gas) xm_OH_so() (in module VolFe.melt_gas) Xm_t_so() (in module VolFe.melt_gas) Xm_tot_so() (in module VolFe.melt_gas)

Y

y_CH4() (in module VolFe.model_dependent_variables) y_CO() (in module VolFe.model_dependent_variables) y_CO2() (in module VolFe.model_dependent_variables) y_CORK() (in module VolFe.model_dependent_variables) y_H2() (in module VolFe.model_dependent_variables) y_H2O() (in module VolFe.model_dependent_variables) y_H2S() (in module VolFe.model_dependent_variables)

y_O2() (in module VolFe.model_dependent_variables) y_OCS() (in module VolFe.model_dependent_variables) y_S2() (in module VolFe.model_dependent_variables) y_sCORK() (in module VolFe.model_dependent_variables) y_SO2() (in module VolFe.model_dependent_variables) y_SS() (in module VolFe.model_dependent_variables) y_X() (in module VolFe.model_dependent_variables)