wiki:public/doc-auto/by_ext/gem/S_kinetic_gem
Last modified 3 years ago Last modified on 01/21/16 13:49:09

Input file gem keyword $KINETIC_GEM

Description

TODO: Add description.

Parameters

TODO: Add parameters.

Documentation from doxygen

None.

Used in benchmarks

C/HAYEKIT/ab1d.gem

 21:   $KINETIC_GEM     ; wie Traber and Maeder
 22-     AB-solid 1   1     0.0 0.0 0.0   0.0 -7.69897 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...

C/comedy2d/cement2d.gem

 28:    $KINETIC_GEM     ; wie Traber and Maeder
 29-     Portlandite 1   1     0.0 0.0 0.0   0.0  -5.0  0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 31:   $KINETIC_GEM     ; wie Traber and Maeder
 32-     CaOxaHyd 1   1     0.0 0.0 0.0   0.0  -5.0  0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...

PETSc/TransLay2d/lag2d.gem

 27:   $KINETIC_GEM     ; like kaolinite palandri
 28-    Kaolinite 1   1     0.0 0.0 0.0   -11.31 -13.18 -17.05  1.0 1.0  1.0 1.0  1.0 1.0   H+  0.777  0.0 -0.472
   ...
 30:   $KINETIC_GEM     ; Palandri kinetic data
 31-    Quartz 1   1     0.0 0.0 0.0   0.0 -13.99 -16.29  0.0 1.0  1.0 1.0  1.0 1.0   H+  0.0  0.0 -0.5
   ...
 33:   $KINETIC_GEM     ; Palandri kinetic data
 34-    Sand 1   1     0.0 0.0 0.0   0.0 -13.99 -16.29  0.0 1.0  1.0 1.0  1.0 1.0   H+  0.0  0.0 -0.5
   ...
 36:   $KINETIC_GEM       ;       palandri quartz data
 37-    Gravel 1  1   0.0  0.0  0.0  0.0   -13.99 -16.29   0.0 1.0 0.0 1.0 1.0 1.0   H+  0.0  0.0 -0.5
   ...
 39:   $KINETIC_GEM     ; like Palandri
 40-    Gibbsite 1   1     0.0 0.0 0.0   -7.65 -11.50 -16.65  1.0 1.0  1.0 1.0  1.0 1.0   H+  0.992  0.0 -0.784
   ...
 42:   $KINETIC_GEM     ; msmectite (K,Ca) from Palandri
 43-    SS_Montmor 5   1     0.0 0.0 0.0   -10.98 -12.78 -16.52  1.0 1.0  1.0 1.0  1.0 1.0   H+  0.340  0.0 -0.400
   ...
 46:   $KINETIC_GEM     ; msmectite (K,Ca) from Palandri
 47-    IlliteEx 5   1     0.0 0.0 0.0   -10.98 -12.78 -16.52  1.0 1.0  1.0 1.0  1.0 1.0   H+  0.340  0.0 -0.400
   ...
 50:   $KINETIC_GEM     ; like zeolithes from Traber mder
 51-    Phillipsite 5   1     0.0 0.0 0.0   0.0 -10.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 54:   $KINETIC_GEM     ; like zeolithes from Traber mder
 55-    Analcime 1   1     0.0 0.0 0.0   0.0 -10.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 57:   $KINETIC_GEM     ; like zeolithes from Traber mder
 58-    Mordenite 1   1     0.0 0.0 0.0   0.0 -10.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 60:   $KINETIC_GEM     ; like zeolithes from Traber mder
 61-    Laumontite 1   1     0.0 0.0 0.0   0.0 -10.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 65:   $KINETIC_GEM     ; Palandri
 66-    Dolomite-ord  1   1     0.0 0.0 0.0   0.0 -8.60 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 68:   $KINETIC_GEM     ; palandri data for neutral reaction....we need a fix for  carbonate mechanism
 69-    Calcite  1   1     0.0 0.0 0.0   0.0 -5.81 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 71:   $KINETIC_GEM     ; palandri ...Fe3+ dependency not complete!!!!
 72-    Pyrite  1   1     0.0 0.0 0.0   0.0 -4.55 0.0  0.0 1.0  1.0 1.0  0.0 1.0   O2@  0.0  0.5 0.0
   ...
 90:   $KINETIC_GEM     ; palandri
 91-    Anhydrite  1   1     0.0 0.0 0.0   0.0 -3.19 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 93:   $KINETIC_GEM     ; palandri
 94-    Gypsum  1   1     0.0 0.0 0.0   0.0 -2.79 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 96:   $KINETIC_GEM     ; default
 97-    Tob_jen_ss  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
 99:   $KINETIC_GEM     ; default
100-     ettringite-Al 1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
102:   $KINETIC_GEM     ; default
103-     ettringite-Fe 1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
105:   $KINETIC_GEM     ; default
106-     monosulphate 1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
108:   $KINETIC_GEM     ; default
109-     straetlingite 1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
111:   $KINETIC_GEM     ; default
112-    hemicarbonate  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
114:   $KINETIC_GEM     ; default
115-    monocarbonate  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
117:   $KINETIC_GEM     ; default
118-    SO4_OH_AFm  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
120:   $KINETIC_GEM     ; default
121-    OH_SO4_AFm  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
123:  $KINETIC_GEM     ; default
124-     OH-hydrotalcite 1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
126:   $KINETIC_GEM     ; default
127-    Portlandite  1   1     0.0 0.0 0.0   0.0 -8.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
129:   $KINETIC_GEM     ; default
130-    hemihydrate  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
132:   $KINETIC_GEM     ; default
133-    Siderite  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
135:   $KINETIC_GEM     ; default
136-     Ferrihydrite-mc 1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
138:   $KINETIC_GEM     ; default
139-    syngenite  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
141:   $KINETIC_GEM     ; default
142-    Magnesite  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
144:   $KINETIC_GEM     ; default
145-    Brucite  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
147:   $KINETIC_GEM     ; default
148-    Strontianite  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
150:   $KINETIC_GEM     ; default
151-    Celestite  1   1     0.0 0.0 0.0   -5.66 0.00 0.0  1.0 1.0  0.0 1.0  0.0 1.0   H+  0.109  0.0 0.0
   ...
153:   $KINETIC_GEM     ; default
154-    Witherite  1   1     0.0 0.0 0.0   0.0 -7.00 0.0  0.0 1.0  1.0 1.0  0.0 1.0   H+  0.0  0.0 0.0
   ...
156:   $KINETIC_GEM     ; default
157-    Barite  1   1     0.0 0.0 0.0   -6.9 -7.90 0.0  1.0 1.0  1.0 1.0  0.0 1.0   H+  0.220  0.0 0.0
   ...
160:   $KINETIC_GEM     ; wolery colon
161-     Albite_low 1   1     0.0 0.0 0.0   -10.16 -12.56 -15.6  1.0 1.0  1.0 1.0  1.0 1.0   H+  0.456  0.0 -0.572
   ...

Source code reading this keyword from Input files

FEM/rf_REACT_GEM.cpp line 2835

2835: 		 *     Quartz 1  1   0.0  0.0  0.0  0.0   -13.99 -16.29   0.0 1.0 0.0 1.0 1.0 1.0   H+  0.0  0.0 -0.5    ; this are the kinetic parameters
2836: 		 *   1 1.0e4    ; this are the parameters for reactive surface area
2837: 		 */
2838: 		if ( line_string.find ( "$KINETIC_GEM" ) != string::npos )
2839: 		{
2840: 			in.str ( GetLineFromFile1 ( gem_file ) );
2841: 			in >> d_kin.phase_name >> d_kin.kinetic_model;

Last modified: 2016-01-21 13:48:59.661411

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