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Literature Parameters for Na,K,Mg // Cl,SO4 - H2O system temperature from 0 to 250C

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@ R. T. Pabalan & K. S. Pitzer
@ Geochimica et Cosmochimica Acta Vol. 51, pp. 2429-2443
@ 1987
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@ Pitzer et al. (1984), 0~300C
@ saturation pressure to 1kbar
@ a1 = 2.0
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Equation: f(T) = Q1/T + Q2 + Q3P + Q4P^2+Q5P^3+Q6ln(T) +
(Q7 + Q8P + Q9P^2+Q10P^3)T +
(Q11 + Q12P + Q13P^2)T^2 +
(Q14 + Q15P + Q16P^2 + Q17P^3)/(T - 227) +
(Q18 + Q19P + Q20P^2 + Q21*P^3)/(T - 680)
NaCl(aq)... read more

Posted by islec 2012-10-09

Literature Parameters for Na,K,Mg // Cl,SO4 - H2O system temperature from 0 to 250C

R. T. Pabalan & K. S. Pitzer

Geochimica et Cosmochimica Acta Vol. 51, pp. 2429-2443

1987

Pitzer et al. (1984), 0~300C

saturation pressure to 1kbar

a1 = 2.0

Equation: f(T) = Q1/T + Q2 + Q3P + Q4P^2+Q5P^3+Q6ln(T) +
(Q7 + Q8P + Q9P^2+Q10P^3)T +
(Q11 + Q12P + Q13P^2)T^2 +
(Q14 + Q15P + Q16P^2 + Q17P^3)/(T - 227) +
(Q18 + Q19P + Q20P^2 + Q21*P^3)/(T - 680)
NaCl(aq)... read more

Posted by islec 2012-10-09

csc10-50s.db minerals list

Formula No. u0/RT
NaK3(SO4)2 100 -1057.05
K2SO4 101 -532.39
MgCl2.6H2O 102 -853.1
Na2SO4.MgSO4.4H2O 103 -1383.6
KCl.MgCl2.6H2O 104 -1020.3
Li2SO4.3Na2SO4.12H2O 105 -3227.404
Li2SO4.Na2SO4 106 -1047.74
2Li2SO4.Na2SO4.K2SO4 107 -2123.25
Li2SO4.K2SO4 108 -1070.979
MgSO4.7H2O 109 -1157.833
NaCl 110 -154.96
MgSO4.6H2O 111 -1061.563
KCl.MgSO4.3H2O 112 -938.2
K2SO4.MgSO4.4H2O 113 -1403.97
MgSO4.4H2O 114 -868.457
LiCl.MgCl2.7H2O 115 -1108.343
LiCl.H2O 116 -254.5962
Li2SO4.H2O 117 -631.1121
Na2SO4.10H2O 118 -1471.15
MgSO4.5H2O 119 -965.084
K2SO4.MgSO4.6H2O 120 -1596.1
KCl 121 -164.84
Na2SO4 122 -512.35
Li2CO3 123 -459.11908
Na2CO3.10H2O 124 -1382.74
Na2CO3.7H2O 125 -1094.95
Na2CO3.H2O 126 -518.8
K2CO3.1.5H2O 127 -577.37
MgCO3.5H2O 128 -880.19665
MgCO3.3H2O 129 -695.83
MgCO3 130 -408.299
NaHCO3 131 -343.27
KHCO3 132 -349.99
NaKCO3.6H2O 133 -1006.8
2KHCO3.K2CO3.1.5H2O 134 -1277.97
NaHCO3.Na2CO3.2H2O 135 -960.5335
CaSO4 136 -533.73
CaSO4.2H2O 137 -725.56
2Na2SO4.CaSO4.2H2O 138 -1751.45
K2SO4.CaSO4.H2O 139 -1164.8
Na2SO4.CaSO4 140 -1047.45
CaCl2.6H2O 141 -893.65
CaCO3 142 -455.17
CaCl2.4H2O 143 -698.7
MgCO3.CaCO3 144 -871.99
Na2CO3.CaCO3.5H2O 145 -1360.6
MgCl2.CaCl2.12H2O 146 -2015.9
LiCl.CaCl2.5H2O 147 -1400.5
Li2SO4.CaSO4.3H2O 148 -1800.6
K2SO4.MgSO4.2CaSO4.2H2O 149 -2282.5
Posted by islec 2012-10-06

How to compile ISLEC

ISLEC is a typical GNU type software. All users can directly use ./configure & ./make command to compile the source code.
e.g. for version 1.1.2

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
wget http://sourceforge.net/projects/islec/files/1.1.X/islec-1.1.2.tar.bz2/download
tar -xvf islec-1.1.2.tar.bz2
cd islec-1.1.2
./configure
./make
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

For details, please see islec-X.X.X/INSTALL.... read more

Posted by islec 2012-08-29

A brief introduction about how to use ISLEC

ISLEC can be used to do single point calculation of a given system.
The executable file of the program is islec, and the batch file islec.sh can be used to do a batch of single point calculation.

1) How to do single point calcuation?
islec do single point calculation based on databank file and input file, so before you do calculation, you must have prepared for your databank file and input file. It is noticeable, the structure of input file dependent on the databank file you would like to use. After every thing has been OK, type the command below in you console:... read more

Posted by islec 2012-08-28