diff --git a/Amm.dat b/Amm.dat index ff7864ff..64e253c9 100644 --- a/Amm.dat +++ b/Amm.dat @@ -88,10 +88,12 @@ K+ = K+ Fe+2 = Fe+2 -gamma 6.0 0 -dw 0.719e-9 - -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # ref. + + -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 # ref. 1 Mn+2 = Mn+2 -gamma 6.0 0 -dw 0.688e-9 + -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2 Al+3 = Al+3 -gamma 9.0 0 @@ -126,10 +128,10 @@ NO3- = NO3- -gamma 3.0 0 -dw 1.9e-9 219 -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 # ref. 1 -AmmH+ = AmmH+ - -gamma 2.5 0 - -dw 1.98e-9 377 - -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1 +#AmmH+ = AmmH+ +# -gamma 2.5 0 +# -dw 1.98e-9 377 +# -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1 H3BO3 = H3BO3 -dw 1.1e-9 -Vm 7.0643 8.8547 3.5844 -3.1451 -.2000 # supcrt @@ -257,7 +259,14 @@ NO3- + 2 H+ + 2 e- = NO2- + H2O -delta_h -312.130 kcal -dw 1.96e-9 -Vm 7 # Pray et al., 1952, IEC 44. 1146 -AmmH+ = Amm + H+ +NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O + -log_k 119.077 + -delta_h -187.055 kcal + -gamma 2.5 0 + -dw 1.98e-9 377 + -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1 +#AmmH+ = Amm + H+ +NH4+ = NH3 + H+ -log_k -9.252 -delta_h 12.48 kcal -analytic 0.6322 -0.001225 -2835.76 @@ -269,7 +278,8 @@ AmmH+ = Amm + H+ # -gamma 2.5 0 # -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 # ref. 1 -AmmH+ + SO4-2 = AmmHSO4- +#AmmH+ + SO4-2 = AmmHSO4- +NH4+ + SO4-2 = NH4SO4- -log_k 1.11 -Vm 14.0 0 -35.2 0 0 0 12.3 0 -0.141 1 # ref. 2 H3BO3 = H2BO3- + H+ @@ -1497,7 +1507,7 @@ Quartz # and pollution, 2nd Edition: A.A. Balkema Publishers, # p. 162-163 and 395-399. # -# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.5 mm) +# Assume soil is 10% K-feldspar by mass in 1 mm spheres (radius 0.05 mm) # Assume density of rock and Kspar is 2600 kg/m^3 = 2.6 kg/L # GFW Kspar 0.278 kg/mol # @@ -1581,7 +1591,7 @@ K-feldspar # -parms 6.04 0.1 # m^2/mol Albite, fraction adjusts lab rate to field rate # -time 1.5 year in 40 # -# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.5 mm) +# Assume soil is 2% Albite by mass in 1 mm spheres (radius 0.05 mm) # Assume density of rock and Albite is 2600 kg/m^3 = 2.6 kg/L # GFW Albite 0.262 kg/mol # @@ -1593,9 +1603,9 @@ K-feldspar # Specific area calculation: # Volume of sphere 4/3 x pi x r^3 = 5.24e-13 m^3 Albite/sphere # Mass of sphere 2600 x 5.24e-13 = 1.36e-9 kg Albite/sphere -# Moles of Albite in sphere 1.36e-9/0.278 = 5.20e-9 mol Albite/sphere +# Moles of Albite in sphere 1.36e-9/0.262 = 5.20e-9 mol Albite/sphere # Surface area of one sphere 4 x pi x r^2 = 3.14e-8 m^2/sphere -# Specific area of Albite in sphere 3.14e-8/4.90e-9 = 6.04 m^2/mol Albite +# Specific area of Albite in sphere 3.14e-8/5.20e-9 = 6.04 m^2/mol Albite Albite -start