TITLE Albite dissolution kinetics with Palabdri and Kharaka rate equation

SOLUTION 1
 temp 25
 units mol/kgw
 ph 6
 Ca 0.05
 Cl 3 charge
 C(4) 0.02
 Al   1e-07
EQUILIBRIUM_PHASES 1
 kaolinite 0 0
 PARAGONITE 0.0 0
kinetics 1 define Albite parameters
 Albite 
     -m 1
     -m0 1
     -parms 0.2  1
 -steps 50000000000 in 1000 steps
INCREMENTAL_REACTIONS TRUE
SOLUTION_SPECIES
PHASES
Paragonite
Na1Al3Si3O12H2 + 10.0000 H+ = 6.0000 H2O + 3.0000 SiO2    + 1.0000 Na+ + 3.0000 Al+3
	-analytic	-1.978114e+004	-5.113321e+000	9.188616e+005	7.527118e+003	-4.572623e+007	1.446902e-003
	-Vm	132.1100
RATES
###########
#Albite
###########
Albite
-start
1 rem unit should be mol,Liter-1 and second-1
2 rem parm(1) is surface area in the unit of m2/L 
3 rem calculation of surface area can be found in the note 
4 rem M is current moles of minerals M0 is the initial moles of minerals
5 rem parm(2) is a correction factor for fields rate relative to lab rate
10 rem acid solution parameters
11 a1=1.45E+0		
12 E1=58400
13 n1=0.335
20 rem neutral solution parameters
21 a2=4.97E-10
22 E2=57000
30 rem base solution parameters
31 a3=7.15E-01	
32 E3=55500
33 n2=0.317
36 rem rate=0 if no minerals and undersaturated
40 SR_mineral=SR("Albite")
41 if (M<0) then goto 200
42 if (M=0 and SR_mineral<1) then goto 200
43 if (M0<=0) then SA=PARM(1) else SA=PARM(1)*(M/M0)^0.67
50 if (SA<=0) then SA=1
60 R=8.31451
75 Rate1=a1*EXP(-E1/R/TK)*ACT("H+")^n1  #acid rate expression
80 Rate2=a2*EXP(-E2/R/TK)               #neutral rate expression
85 Rate3=a3*EXP(-E3/R/TK)*ACT("OH-")^n2    #base rate expression
90 Rate=(Rate1+Rate2+Rate3)*(1-Sr_mineral)*SA*parm(2)
100 moles= rate*Time
110 rem do not dissolve more minerals than present
115 if (moles>M) then moles=M
200 save moles
-end
SELECTED_OUTPUT
     -file Palndri.txt
     -reset false
USER_PUNCH
     -headings Time(year) SI(Albite) pH Tot_SiO2 Tot_Al TOT_Na 
     -start
     10 punch TOTAL_TIME/31556925 SI("Albite") LA("H+")*(-1) TOT("Si") TOT("Al") TOT("Na") 
     -end
END