Alumina Properties Examples

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Navigation: User Guide ➔ Edit ➔ Project Configuration (cfg File) ➔ Calculation Configuration ➔ User Property Calculations ➔ Alumina Properties Examples

Related Links: Calculation Configuration, Alumina 3 Bayer Species Model

NOTE: This page is for demonstrating how to use "Calculations" in the configuration file to calculate user properties. Please refer to the Alumina 3 Bayer Species Model for theory and equations.

Alumina Properties Examples

User Defined Variable Units Sample Expressions
THA Frac(Frac) ([Al[OH]3(s)]*MW(Al2O3(s))/(2*MW(Al[OH]3(s))))/SumPhase(s)
TAA Frac(Frac) [THA]+[AlO.OH(s)]*MW(Al2O3(s))/(2*MW(AlO.OH(s)))/SumPhase(s)
TCA Frac(Frac) [TAA]+[2SiO2.Al2O3.2H2O(s)]*MW(Al2O3(s))/(MW(2SiO2.Al2O3.2H2O(s)))/SumPhase(s)
LOI Frac(Frac) ([Al[OH]3(s)]*3*MW(H2O(l))/(2*MW(Al[OH]3(s)))+[AlO.OH(s)]*MW(H2O(l))/(2*MW(AlO.OH(s)))+[2SiO2.Al2O3.2H2O(s)]*2*MW(H2O(l))/(MW(2SiO2.Al2O3.2H2O(s))))/SumPhase(s)
Tc Default T(C)
LSG@25 Default 0.982 + (0.01349855 * [TNa] - (0.00024948 * [TNa]^2) + (0.00000273 * [TNa]^3) + (0.00208035 * [TAl2O3]) + (0.00004113 * [TAl2O3]^2) - (0.00000728 * [TAl2O3]^3) + (0.00033367 * [TNa]*[TAl2O3]))
LSG@T Default [LSG25] * ( 1 - (0.000502186 * 0.85 * ( [Tc] - 25)) - (0.0000011881 * 0.85 * ( [Tc] - 25)) * ( [Tc] - 25))
LVol@25 Default m:SumPhase(l)/[LSG25]/1000
TAl2O3 Default m:[NaAl[OH]4(aq)]*(MW(Al2O3(s))/(2*MW(NaAl[OH]4(aq)))) * 100 / m:SumPhase(l)
TCaust Default (m:[NaOH(aq)]*MW(Na2CO3(aq))*0.5/MW(NaOH(aq)) ) + (m:[NaAl[OH]4(aq)]*0.5*MW(Na2CO3(aq))/MW(NaAl[OH]4(aq)))
TNa Default ( m:[Na2CO3(aq)] + (m:[NaOH(aq)]/(2*MW(NaOH(aq))) + m:[NaAl[OH]4(aq)]/(2*MW(NaAl[OH]4(aq))) + m:[Na2C2O4(aq)]/MW(Na2C2O4(aq)) + m:[Na2C5O7(aq)]/MW(Na2C5O7(aq)) + m:[NaCl(aq)]/(2*MW(NaCl(aq))) + m:[Na2SO4(aq)]/MW(Na2SO4(aq)) + m:[Na2SiO3(aq)]/MW(Na2SiO3(aq)) + m:[NaF(aq)]/(2*MW(NaF(aq))) ) * MW(Na2CO3(aq)) ) * 100 / m:SumPhase(l)
TNa2O Default [TNa]*MW(Na2O(s))/MW(Na2CO3(aq))
A@25 Conc(g/L) [TAl2O3]*[LSG25]*1000/100
C@25 Conc(g/L) [TCaust]/m:SumPhase(l)*[LSG25]*1000
S@25 Conc(g/L) [C@25] + [Na2CO3@25]
Na2CO3@25 Conc(g/L) m:[Na2CO3(aq)]/m:SumPhase(l)*[LSG25]*1000
Na2SO4@25 Conc(g/L) m:[Na2SO4(aq)]*MW(Na2CO3(aq))/MW(Na2SO4(aq))/m:SumPhase(l)*[LSG25]*1000
Oxalate@25 Conc(g/L) m:[Na2C2O4(aq)]*MW(Na2CO3(aq))/MW(Na2C2O4(aq))/m:SumPhase(l)*[LSG25]*1000
Organic@25 Conc(g/L) m:[Na2C5O7(aq)]*MW(Na2CO3(aq))/MW(Na2C5O7(aq))/m:SumPhase(l)*[LSG25]*1000
NaCl@25 Conc(g/L) m:[NaCl(aq)]*MW(Na2CO3(aq))/(2*MW(NaCl(aq)))/m:SumPhase(l)*[LSG25]*1000
SiO2@25 Conc(g/L) m:[Na2SiO3(aq)]*MW(SiO2(s))/MW(Na2SiO3(aq))/m:SumPhase(l)*[LSG25]*1000
A/C [A@25] / [C@25]
C/S [C@25] / [S@25]
TotalSoda Conc(g/L) [TNa]*[LSG25]*1000/100
TSodaNa2O Conc(g/L) [TotalSoda]*MW(Na2O(s))/MW(Na2CO3(aq))
Cl/C [NaCl@25]/[C@25]
TOC@25 Conc(g/L) ([Oxalate@25]*2+[Organic@25]*5)/MW(Na2CO3(aq))*MW(C)
MR (ml:[NaOH(aq)]/2+ml:[NaAl[OH]4(aq)]/2)/(ml:[NaAl[OH]4(aq)]/2)
CpL_MD Default (1.027505737572900 - 0.020113606661083 * [TSodaNa2O] + 0.001081165172606 * [TSodaNa2O]^2 - 0.000022606160779 * [TSodaNa2O]^3 - 0.004597725999883 * [TAl2O3] - 0.000001053264708 * [TAl2O3]^2 - 0.000002188362870 * [TAl2O3]^3) * 4.184
CpL_LM Default 4.184 * ((0.99639 - 0.000390998*[C@25] - 0.00053832*[A@25] + 0.000000246493*[C@25]^2 + 0.00000057186 *[C@25]*[A@25]) + ([Tc]*(-0.000000107766*[C@25] - 0.000151278 - 0.000000186581*[A@25] ) + [Tc]*0.0000021464))
BPE Adamson Default 0.007642857 + 0.006184282*[TSodaNa2O] + 0.0000292857*[Tc] + 0.00010957*[TSodaNa2O]^2 - 0.000000038095200*[Tc]^2 + 0.000208801*[TSodaNa2O]*[Tc] - 0.000000000861985 *[TSodaNa2O]^3 - 0.000000000861985*[Tc]^3 + 0.00000000017316 * [TSodaNa2O]*[Tc]^2 - 0.000000249763000 * [TSodaNa2O]^2*[Tc]
Molarity Default

M1 = ( m:[Na2CO3(aq)] / MW(Na2CO3(aq)) + m:[NaOH(aq)]/(MW(NaOH(aq))) + m:[NaAl[OH]4(aq)]/(MW(NaAl[OH]4(aq))) + m:[Na2C2O4(aq)]/MW(Na2C2O4(aq)) + m:[Na2C5O7(aq)]/MW(Na2C5O7(aq)) + m:[NaCl(aq)]/(MW(NaCl(aq))) + m:[Na2SO4(aq)]/MW(Na2SO4(aq)) + m:[Na2SiO3(aq)]/MW(Na2SiO3(aq)) ) * 1000 / m:SumPhase(l)
M2 = 1000 - ( m:[Na2CO3(aq)] + m:[NaOH(aq)] + m:[NaAl[OH]4(aq)] * 81.97 /(MW(NaAl[OH]4(aq))) + m:[Na2C2O4(aq)] + m:[Na2C5O7(aq)] + m:[NaCl(aq)] + m:[Na2SO4(aq)] + m:[Na2SiO3(aq)]) * 1000 / m:SumPhase(l)
M=1000 * [M1]/[M2]

BPE_Dewey Default 0.00182 + 0.55379 * (([M]/10)^7) + 0.004060625*[M]*T(K) + 1/T(K) * (29.919 * [M]^2 - 286.66 * [M] + 0.6228 * [M]^3 ) - 0.032647 * [M] * ([M] * T(K)/1000)^2 + ((T(K)/1000)^5) * (5.9705 * [M] - (0.57532 * [M]^2) + (0.10417*[M]^3))
Viscosity_Liq Default 10^((0.0857 - 0.00658*[Tc] + 0.0000023*[Tc]^2) + (([C@25]*2*MW(NaOH(aq))/MW(Na2CO3(aq)))/1000) * (3.56 - 0.0357 * [Tc] + 0.000184*[Tc]^2) + ([A@25]/1000) * (3.23 - 0.0034 * ([C@25]*2*MW(NaOH(aq)) / MW(Na2CO3(aq))) - 0.1246 * [Tc] + 0.00204 * [Tc]^2 - 0.00001107*[Tc]^3))
Ionic strength Default

k1 = 0.9346
k2 = 2.0526
k3 = 2.1714
k4 = 1.6734
I = 0.01887*[C@25] + [k1]*[NaCl@25]*2/(MW(Na2CO3(aq))) + [k2]*[Na2CO3@25]/(MW(Na2CO3(aq))) + [k3]*[Na2SO4@25]/(MW(Na2CO3(aq))) + [k4]*0.01887*[TOC@25]

Alumina Saturation Conc(g/L)

a0 -9.2082
a3 -0.8743
a4 0.2149
X = [a0]*([I]^(1/2))/(1+([I]^(1/2))) - [a3]*[I] - [a4]*([I]^(3/2))
exp(dG/RT)=2.718281828^((1-2)*30960/8.314472/T(K))
ASat = 0.96197*[C@25]/(1+(10^[X])/exp(dG/RT))

Oxalate Equilibrium Conc(g/L) Ox_Eq = 7.62*EXP(0.012*[Tc]-((MW(Na2O(s)))/(MW(Na2CO3(aq))))*(0.016*[C@25] + 0.011* m:[Na2CO3(aq)]/[LVol@25]))
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