[OLD] Adding Chabazite to thermo.dat

[webmaster]

From: Michael McCurry

Subject: Adding Chabazite to thermo.dat

I would appreciate help in modifying the thermodynamic dataset to include Chabazite. The Chabazite data is listed in the SUPCRT data base (below), but has not been previously modified for GWB format (at /users/johnson/gwb).

CHABAZITE Ca(Al2Si4)O12*6H2O

Cbz Ca(1)Al(2)Si(4)O(18)H(12)

ref:1 5.May.78

999999 999999 152.9 247.76

146 44.47 -16.43 1000

 

From: Craig Bethke

Subject: Re: Adding Chabazite to thermo.dat

Adding species, minerals, and gases to the GWB dataset is a simple matter. Some points to keep in mind:

(1) The dataset format is described in detail in Appendix 3 ("Thermo Datasets", p. 171-176) of the GWB Users' Guide.

(2) You do not need to count spaces or align the data fields.

(3) Be sure to update the section headers (e.g., "624 minerals") to reflect your changes.

(4) Make a backup copy of the original dataset, or better yet copy it to a dataset with a different name ("my_thermo.dat") and work with that file.