Click here to donate to keep PhreeqcUsers open
Welcome,
Guest
. Please
login
or
register
.
Did you miss your
activation email
?
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
Forum Home
Login
Register
PhreeqcUsers Discussion Forum
»
Processes
»
Dissolution and precipitation
»
Looking for help to solve errors "Element or phase not defined in database"
« previous
next »
Print
Pages: [
1
]
Go Down
Author
Topic: Looking for help to solve errors "Element or phase not defined in database" (Read 35 times)
Max0109
Contributor
Posts: 1
Looking for help to solve errors "Element or phase not defined in database"
«
on:
March 13, 2023, 04:46:45 PM »
I'm running a program for the dissolution of basalt in water and calculating alkalinity. I'm using the database T_H.DAT, but it keeps giving me errors. Do I have typo mistakes in the input file T_H.DAT? Or are there some mistakes in my code? How can I solve these errors? I put my Phreeqc code below. Many thanks!
ERROR: Element or phase not defined in database, T.
ERROR: Element or phase not defined in database, M.
ERROR: Program terminating due to input errors.
DATABASE D:\T_H.DAT
SOLUTION_SPECIES
HCO3- = H+ + CO3-2
log_k 10.329
delta_h -3.561 kcal
analytical_expression 107.8871 0.03252849 -5151.79 -38.92561 563713.9
gamma 5.4 0.0
PHASES
Forsterite
Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4
log_k 28.306
delta_h -48.578 kcal
Diopside
CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4
log_k 19.894
delta_h -32.348 kcal
Anorthite
CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4
log_k -19.714
delta_h 11.58 kcal
CO2(g)
CO2 = CO2
log_k -1.468
delta_h -4.776 kcal
-analytical 108.3865 0.01985076 -6919.53 -40.45154 669365.0
# Define basalt1 solution
SOLUTION 1 basalt1 solution
pH 7.0
temp 25.0
pe 4.0
redox pe
units mg/kgw
density 1.000
water 1000 # kg
pressure 2.0
Alkalinity 0 # initial alkalinity
Na 0.005
K 0
Ca 0.50.45 # 45% Ca in Anorthite
Mg 0.050.05 # 5% Mg in Forsterite
Fe 0
Mn 0
Si 0.45*0.5 # 50% Si in Anorthite
Cl 0
S(6) 0
HCO3- 0.0 # bicarbonate
CO2(g) 0.0 # carbon dioxide
END
#calculate the amount (in moles) of each mineral present in 1 kg of basalt1
EQUILIBRIUM_PHASES 1 basalt1 minerals
Forsterite 0
Diopside 0
Anorthite 0
# Add any additional information
REACTION_TEMPERATURE 25.0
REACTION_PRESSURE 2.0
# Add basalt dissolution reaction
REACTION 1 Basalt
# Set up time-dependent simulation for two weeks
TIME 0 336
# Define the reaction path
USE solution 1
USE equilibrium_phases 1
RUN_CELLS
SELECTED_OUTPUT
-file alkalinity.out
-reset false
-step 7*24*60
-molalities
END
Modify message
Logged
dlparkhurst
Top Contributor
Posts: 2823
Re: Looking for help to solve errors "Element or phase not defined in database"
«
Reply #1 on:
March 13, 2023, 07:12:49 PM »
In SOLUTION, you cannot make these two definitions:
Code:
[Select]
HCO3- 0.0 # bicarbonate
CO2(g) 0.0 # carbon dioxide
You have defined Alkalinity, which is often numerically approximately equal to HCO3-. There are ways to specify the CO2(g) partial pressure in a SOLUTION definition.
You cannot define
Code:
[Select]
TIME 0 336
There is no keyword time. Time only affect TRANSPORT and KINETICS. In both cases, there are identifiers to set the time step.
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
PhreeqcUsers Discussion Forum
»
Processes
»
Dissolution and precipitation
»
Looking for help to solve errors "Element or phase not defined in database"