mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-15 16:18:22 +01:00
Tony's latest databases
This commit is contained in:
David Parkhurst
parent
b6ecf24821
commit
93ba7f97c3
16
Amm.dat
16
Amm.dat
@ -63,14 +63,14 @@ SOLUTION_SPECIES
|
||||
H+ = H+
|
||||
-gamma 9.0 0
|
||||
-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 # for viscosity parameters see ref. 4
|
||||
-dw 9.31e-9 838 16.315 0.809 2.376 24.01 0
|
||||
# Dw(25 C) dw_T a a2 visc a3 a_v_dif
|
||||
-dw 9.31e-9 838 16.315 0 2.376 24.01 0
|
||||
# Dw(25 C) dw_T a a2 visc a3 a_v_dif
|
||||
# Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc
|
||||
# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
|
||||
|
||||
# For SC, Dw(TK) *= (viscos_0_tc / viscos)^2.376
|
||||
# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn.
|
||||
# a3 = -10 ? ka = DH_B * a * mu^a2 (Define a3 = -10) (not used in this database.)
|
||||
# For SC, Dw(TK) *= (viscos_0_tc / viscos)^visc (visc = 2.376 for H+)
|
||||
# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
|
||||
# a3 = -10 ? ka = DH_B * a * mu^a2 (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.)
|
||||
# -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database)
|
||||
|
||||
# If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT.
|
||||
@ -363,10 +363,10 @@ Ca+2 + CO3-2 = CaCO3
|
||||
-dw 4.46e-10 # complexes: calc'd with the Pikal formula
|
||||
-Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt
|
||||
Ca+2 + CO3-2 + H+ = CaHCO3+
|
||||
-log_k 11.435; -delta_h -0.871 kcal
|
||||
-analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9
|
||||
-log_k 10.91; -delta_h 4.38 kcal
|
||||
-analytic -6.009 3.377e-2 2044
|
||||
-gamma 6.0 0
|
||||
-Vm 3.1911 .0104 5.7459 -2.7794 .3084 5.4 # supcrt
|
||||
-Vm 30.19 .010 5.75 -2.78 .308 5.4
|
||||
-dw 5.06e-10
|
||||
Ca+2 + SO4-2 = CaSO4
|
||||
-log_k 2.25
|
||||
|
||||
16
phreeqc.dat
16
phreeqc.dat
@ -63,14 +63,14 @@ SOLUTION_SPECIES
|
||||
H+ = H+
|
||||
-gamma 9.0 0
|
||||
-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 # for viscosity parameters see ref. 4
|
||||
-dw 9.31e-9 838 16.315 0.809 2.376 24.01 0
|
||||
# Dw(25 C) dw_T a a2 visc a3 a_v_dif
|
||||
-dw 9.31e-9 838 16.315 0 2.376 24.01 0
|
||||
# Dw(25 C) dw_T a a2 visc a3 a_v_dif
|
||||
# Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc
|
||||
# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
|
||||
|
||||
# For SC, Dw(TK) *= (viscos_0_tc / viscos)^2.376
|
||||
# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn.
|
||||
# a3 = -10 ? ka = DH_B * a * mu^a2 (Define a3 = -10) (not used in this database.)
|
||||
# For SC, Dw(TK) *= (viscos_0_tc / viscos)^visc (visc = 2.376 for H+)
|
||||
# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
|
||||
# a3 = -10 ? ka = DH_B * a * mu^a2 (Define a3 = -10, not used in this database.) (a3 = 24.01 for H+, a flag.)
|
||||
# -3 < a3 < 4 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka)) (Sr+2 in this database)
|
||||
|
||||
# If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT.
|
||||
@ -373,10 +373,10 @@ Ca+2 + CO3-2 = CaCO3
|
||||
-dw 4.46e-10 # complexes: calc'd with the Pikal formula
|
||||
-Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt
|
||||
Ca+2 + CO3-2 + H+ = CaHCO3+
|
||||
-log_k 11.435; -delta_h -0.871 kcal
|
||||
-analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9
|
||||
-log_k 10.91; -delta_h 4.38 kcal
|
||||
-analytic -6.009 3.377e-2 2044
|
||||
-gamma 6.0 0
|
||||
-Vm 3.1911 .0104 5.7459 -2.7794 .3084 5.4 # supcrt
|
||||
-Vm 30.19 .010 5.75 -2.78 .308 5.4
|
||||
-dw 5.06e-10
|
||||
Ca+2 + SO4-2 = CaSO4
|
||||
-log_k 2.25
|
||||
|
||||
10
pitzer.dat
10
pitzer.dat
@ -29,20 +29,20 @@ Sr Sr+2 0 Sr 87.62
|
||||
# redox-uncoupled gases
|
||||
Hdg Hdg 0 Hdg 2.016 # H2 gas
|
||||
Oxg Oxg 0 Oxg 32 # Oxygen gas
|
||||
Mtg Mtg 0.0 Mtg 16.032 # CH4 gas
|
||||
Sg H2Sg 0.0 H2Sg 32.064 # H2S gas
|
||||
Mtg Mtg 0 Mtg 16.032 # CH4 gas
|
||||
Sg H2Sg 0 H2Sg 32.064 # H2S gas
|
||||
Ntg Ntg 0 Ntg 28.0134 # N2 gas
|
||||
|
||||
SOLUTION_SPECIES
|
||||
H+ = H+
|
||||
-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 # for viscosity parameters see ref. 4
|
||||
-dw 9.31e-9 823 5.314 0 3.0 24.01 0
|
||||
-dw 9.31e-9 823 5.55 0 3.07 24.01 0
|
||||
# Dw(25 C) dw_T a a2 visc a3 a_v_dif
|
||||
# Dw(TK) = 9.31e-9 * exp(823 / TK - 823 / 298.15) * viscos_0_25 / viscos_0_tc
|
||||
# a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif
|
||||
|
||||
# For SC, Dw(TK) *= (viscos_0_tc / viscos)^3.0
|
||||
# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5 in DHO eqn.
|
||||
# For SC, Dw(TK) *= (viscos_0_tc / viscos)^visc (visc = 3.07 for H+)
|
||||
# a3 > 5 or a3 = 0 or not defined ? ka = DH_B * a * (1 + (vm - v0))^a2 * mu^0.5, in Debye-Onsager eqn. (a2 = Vm = 0 for H+, the reference for Vm)
|
||||
# a3 = -10 ? ka = DH_B * a * mu^a2 in DHO. (Define a3 = -10.)
|
||||
# -5 < a3 < 5 ? ka = DH_B * a2 * mu^0.5 / (1 + mu^a3), Appelo, 2017: Dw(I) = Dw(TK) * exp(-a * DH_A * z * sqrt_mu / (1 + ka))
|
||||
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user