// This file contains the chemical reactions of the Cemdata14 database in ORCHESTRA format
// The original file with thermodyanamic data can be found here: https://www.empa.ch/web/s308/cemdata
//
// Hans Meeussen
// meeussen@nrg.eu
// 15 May 2016

//Cemdata14 data base, to be used with general PSI-Nagra TDB only!
//Version 14.01: Oct 2014

@mineral(CEM14_Al-ettringite)
@logKreaction(CEM14_Al-ettringite,  44.90000     ,  2.0, Al[OH]4-,  6.0, Ca+2,  26.0, H2O,  4.0, OH-,  3.0, SO4-2)
@mineral(CEM14_Al[OH]3[mic])
@logKreaction(CEM14_Al[OH]3[mic],  6.700000e-1  ,  1.0, Al[OH]4-, -1.0, OH-)
@mineral(CEM14_Brucite)
@reaction(CEM14_Brucite,  1.441677e11  ,  1.0, Mg+2,  2.0, OH-)
@mineral(CEM14_C2AH7.5)
@logKreaction(CEM14_C2AH7.5,  13.80000     ,  2.0, Al[OH]4-,  2.0, Ca+2,  2.5, H2O,  2.0, OH-)
@mineral(CEM14_C3AH6)
@logKreaction(CEM14_C3AH6,  20.50000     ,  2.0, Al[OH]4-,  3.0, Ca+2,  4.0, OH-)
@mineral(CEM14_C3AS0.41H5.18)
@logKreaction(CEM14_C3AS0.41H5.18,  25.35000     ,  2.0, Al[OH]4-,  3.0, Ca+2,  1.23, H2O,  4.100000e-1, H3SiO4-,  3.59, OH-)
@mineral(CEM14_C3AS0.84H4.32)
@logKreaction(CEM14_C3AS0.84H4.32,  26.70000     ,  2.0, Al[OH]4-,  3.0, Ca+2,  2.52, H2O,  8.400000e-1, H3SiO4-,  3.16, OH-)
@mineral(CEM14_C3FH6)
@logKreaction(CEM14_C3FH6,  26.30000     ,  3.0, Ca+2,  2.0, Fe[OH]4-,  4.0, OH-)
@mineral(CEM14_C3FS0.84H4.32)
@logKreaction(CEM14_C3FS0.84H4.32,  32.50000     ,  3.0, Ca+2,  2.0, Fe[OH]4-,  2.52, H2O,  8.400000e-1, H3SiO4-,  3.16, OH-)
@mineral(CEM14_C3FS1.34H3.32)
@logKreaction(CEM14_C3FS1.34H3.32,  34.20000     ,  3.0, Ca+2,  2.0, Fe[OH]4-,  4.02, H2O,  1.34, H3SiO4-,  2.66, OH-)
@mineral(CEM14_C4AH13)
@logKreaction(CEM14_C4AH13,  25.00000     ,  2.0, Al[OH]4-,  4.0, Ca+2,  6.0, H2O,  6.0, OH-)
@mineral(CEM14_C4AH19)
@logKreaction(CEM14_C4AH19,  25.45000     ,  2.0, Al[OH]4-,  4.0, Ca+2,  12.0, H2O,  6.0, OH-)
@mineral(CEM14_C4FH13)
@logKreaction(CEM14_C4FH13,  30.75000     ,  4.0, Ca+2,  2.0, Fe[OH]4-,  6.0, H2O,  6.0, OH-)
@mineral(CEM14_CAH10)
@logKreaction(CEM14_CAH10,  7.600000     ,  2.0, Al[OH]4-,  1.0, Ca+2,  6.0, H2O)
@mineral(CEM14_Fe-ettringite)
@logKreaction(CEM14_Fe-ettringite,  44.00000     ,  6.0, Ca+2,  2.0, Fe[OH]4-,  26.0, H2O,  4.0, OH-,  3.0, SO4-2)
@mineral(CEM14_Fe-hemicarbonate)
@logKreaction(CEM14_Fe-hemicarbonate,  30.83000     ,  5.000000e-1, CO3-2,  4.0, Ca+2,  2.0, Fe[OH]4-,  5.5, H2O,  5.0, OH-)
@mineral(CEM14_Fe-monocarbonate)
@logKreaction(CEM14_Fe-monocarbonate,  34.59000     ,  1.0, CO3-2,  4.0, Ca+2,  2.0, Fe[OH]4-,  5.0, H2O,  4.0, OH-)
@mineral(CEM14_Fe-monosulfate)
@logKreaction(CEM14_Fe-monosulfate,  31.57000     ,  4.0, Ca+2,  2.0, Fe[OH]4-,  6.0, H2O,  4.0, OH-,  1.0, SO4-2)
@mineral(CEM14_FeOOH[mic])
@logKreaction(CEM14_FeOOH[mic],  5.600000     ,  1.0, Fe[OH]4-, -1.0, OH-)
@mineral(CEM14_M4AH10)
@logKreaction(CEM14_M4AH10,  56.02000     ,  2.0, Al[OH]4-,  3.0, H2O,  4.0, Mg+2,  6.0, OH-)
@mineral(CEM14_M6ACH13)
@logKreaction(CEM14_M6ACH13,  33.29000     ,  1.0, Al[OH]4-,  5.000000e-1, CO3-2,  2.5, H2O,  3.0, Mg+2,  4.0, OH-)
@mineral(CEM14_M6FCH13)
@logKreaction(CEM14_M6FCH13,  33.64000     ,  5.000000e-1, CO3-2,  1.0, Fe[OH]4-,  2.5, H2O,  3.0, Mg+2,  4.0, OH-)
@mineral(CEM14_SiO2[min])
@logKreaction(CEM14_SiO2[min], -1.476000     , -1.0, H2O,  1.0, H3SiO4-, -1.0, OH-)
@mineral(CEM14_Syngenite)
@logKreaction(CEM14_Syngenite,  7.200000     ,  1.0, Ca+2,  1.0, H2O,  2.0, K+,  2.0, SO4-2)
@mineral(CEM14_Thaumasite)
@logKreaction(CEM14_Thaumasite,  24.75000     ,  1.0, CO3-2,  3.0, Ca+2,  13.0, H2O,  1.0, H3SiO4-,  1.0, OH-,  1.0, SO4-2)
@mineral(CEM14_Tricarboaluminate)
@logKreaction(CEM14_Tricarboaluminate,  46.50000     ,  2.0, Al[OH]4-,  3.0, CO3-2,  6.0, Ca+2,  26.0, H2O,  4.0, OH-)
@mineral(CEM14_anhydrite)
@logKreaction(CEM14_anhydrite,  4.357000     ,  1.0, Ca+2,  1.0, SO4-2)
@mineral(CEM14_friedel)
@logKreaction(CEM14_friedel,  27.27000     ,  2.0, Al[OH]4-,  4.0, Ca+2,  2.0, Cl-,  4.0, H2O,  4.0, OH-)
@mineral(CEM14_gibbsite)
@logKreaction(CEM14_gibbsite,  1.120000     ,  1.0, Al[OH]4-, -1.0, OH-)
@mineral(CEM14_gypsum)
@logKreaction(CEM14_gypsum,  4.581000     ,  1.0, Ca+2,  2.0, H2O,  1.0, SO4-2)
@mineral(CEM14_hemicarboaluminate)
@logKreaction(CEM14_hemicarboaluminate,  29.13000     ,  2.0, Al[OH]4-,  5.000000e-1, CO3-2,  4.0, Ca+2,  5.5, H2O,  5.0, OH-)
@mineral(CEM14_hemihydrite)
@logKreaction(CEM14_hemihydrite,  3.590000     ,  1.0, Ca+2,  5.000000e-1, H2O,  1.0, SO4-2)
@mineral(CEM14_kuzel)
@logKreaction(CEM14_kuzel,  28.53000     ,  2.0, Al[OH]4-,  4.0, Ca+2,  1.0, Cl-,  6.0, H2O,  4.0, OH-,  5.000000e-1, SO4-2)
@mineral(CEM14_monocarboaluminate)
@logKreaction(CEM14_monocarboaluminate,  31.47000     ,  2.0, Al[OH]4-,  1.0, CO3-2,  4.0, Ca+2,  5.0, H2O,  4.0, OH-)
@mineral(CEM14_monosulfoaluminate)
@logKreaction(CEM14_monosulfoaluminate,  29.26000     ,  2.0, Al[OH]4-,  4.0, Ca+2,  6.0, H2O,  4.0, OH-,  1.0, SO4-2)
@mineral(CEM14_portlandite)
@logKreaction(CEM14_portlandite,  5.200000     ,  1.0, Ca+2,  5.000000e-1, H2O,  2.0, OH-)
@mineral(CEM14_stratlingite)
@logKreaction(CEM14_stratlingite,  19.70000     ,  2.0, Al[OH]4-,  2.0, Ca+2,  2.0, H2O,  1.0, H3SiO4-,  1.0, OH-)

@solid_solution(CEM14_CSH_ss,min)
@primary_entity(CEM14_CSH_ss, 0.0)
@entity(JenD, CEM14_CSH_ss, 1 )
@logKreaction(JenD,  10.47000     ,  1.0, CEM14_CSH_ss,  1.5, Ca+2,  3.333333e-1, H2O,  6.666667e-1, H3SiO4-,  2.333333, OH-)
@entity(JenH, CEM14_CSH_ss, 1 )
@logKreaction(JenH,  10.96000     ,  1.0, CEM14_CSH_ss,  1.333333, Ca+2, -1.666667e-1, H2O,  1.0, H3SiO4-,  1.666667, OH-) 
@entity(TobD, CEM14_CSH_ss, 1 )
@logKreaction(TobD,  6.900000     ,  1.0, CEM14_CSH_ss,  8.333333e-1, Ca+2,  3.333333e-1, H2O,  6.666667e-1, H3SiO4-,  1.0, OH-)
@entity(TobH, CEM14_CSH_ss, 1 )
@logKreaction(TobH,  6.190000     ,  1.0, CEM14_CSH_ss,  6.666667e-1, Ca+2, -1.666667e-1, H2O,  1.0, H3SiO4-,  3.333333e-1, OH-)