[OLD] SUPCRT to GWB database conversion

[rockwebmaster]

From: James Cleverley

Subject: SUPCRT to GWB database conversion

I am looking for a method of automatically converting supcrt output - set up to give the standard GWB log K grid - into a GWB type input file. All of the information required by GWB is in the supcrt file and I guess the main part of any conversion would be simple text reformatting. Does anyone know of or have a script that they have used to do this?? Why bother with an automated approach?? Well two reasons:

1) This would allow the fast creation of datasets at P-T conditions outside the scope of Psat and 25-300C, and

2) When updating the datasets with new data for species it is not only time consuming to re-enter a large amount data by hand but also there maybe cases where the phase you are updating is used in the reaction of other species or minerals else where. Hence any log K values using that species will differ.

If no one knows of anything I can see I will have to dust off my Fortran or C books, but any help with any issue such as this or conversion between EQ3/6 and GWB would be a great help not only to us but also to everyone.